RED10

Documents 1-4.

Department of ChemistryPanel 8. Chemistry and Earth Sciences Research Evaluation for Development of Research 2010

Research Evaluation for Development of Research at the University of Gothenburg 2010

Document 1A. Research Personnel Structure in 2004 and 2009

Department of ChemistryPanel 8. Chemistry and earth sciences

Nr.Full time eq.

Mean age

Women (%)

Perm.(%)

Nr.Full time eq.

Nr. res. Res. (%)Mean age

Women (%)

Perm.(%)

Academic staff

Professor 25 23,57 56 20 22 22 22 58 55 23 95

Adjunct professor or senior lecturer

1 0,2 60 0 3 0,6 3 0 47 0 0

Senior lecturer/ associate professor

13 8,93 54 0 6 6 6 54 46 0 100

Researcher 4 3,55 40 25 13 10,4 13 75 41 46 23

Research fellow/ assistant professor

4 4 36 0 7 7 7 80 35 43 0

Postdoc 3 3 33 33 11 11 11 100 34 36 0

Other 7 6,2 43 29 11 7,3 1 4 34 18 9

Emeritus 1 N/A 1 N/A 0 N/A

Doctoral studentsPhD 65 51,55 32 52 N/A 64 62,9 64 95 32 55 N/A

Affiliated staffNon GU

Abbreviations and DefinitionsAcademic staff and Doctoral students = research personnel employed by the University of Gothenburg according to

Swedish state employment codes "BESTA" AUFP (other teaching and research personnel) and UNDP (teaching personnel)Affiliated staff = not employed by the University of Gothenburg but contributing to research at the departmentProfessor includes also visiting professor (Sw: gästprofessor), short term employment of professor at other universityResearcher includes also visiting (guest) lecturer (Sw: gästlärare)Other staff includes e.g.:

Junior lecturer/university teacher (Sw: universitetsadjunkt), tenured, no PhDResearch engineer (Sw: forskningsingenjör) tenured, no PhDProject leader/coordinator (Sw: projektledare/projektkoordinator)Project employee (Sw: projektanställd)Assistant researcher (Sw: biträdande forskare) – predoctoral or postdoctoral junior researcherAdjunct junior lecturer (Sw: adjungerad universitetsadjunkt)Part time teacher paid by the hour (Sw: timlärare)

Nr. = total number of research personnelFull time eq. = total extent of employment at the University of Gothenburg in categoryNr. res. = total number of research personnel with > 1 % research in their positionRes. = % research in position (mean)Perm. = % permanent positions N/A = not applicableGrey field = data unavailable

Source: University of Gothenburg personnel database (PA datalagret)

September 2004 September 2009

Research Evaluation for Development of Research at the University of Gothenburg 2010

Document 1B. Examination - Licentiate and Doctoral Degrees

Department of ChemistryPanel 8. Chemistry and earth sciences

Registered PhD students

TotalWomen

(%)Total

Women (%)

2009 2 100 76 47

Number of doctoral and licentiate degrees

2000 2001 2002 2003 2004 2005 2006 2007 2008 2009WomenNumber of degrees 8 4 7 6 3 10 3 7 2 3Net study time (yr) 3,56 3,1 4,3 3,57 4,2 4,12 3,09 4,86 4,23 4,2MenNumber of degrees 8 11 12 11 7 8 6 6 1 7Net study time (yr) 4,09 4,5 4,08 4,5 4,2 4,17 4,18 4,31 4,35 4,2

2000 2001 2002 2003 2004 2005 2006 2007 2008 2009WomenNumber of degrees 4 0 0 2 1 1 2 0 1 1Net study time (yr) 2,42 0 0 3,55 3,3 4,65 2,39 0 2,42 4,88MenNumber of degrees 7 1 1 0 3 0 0 1 0 1Net study time (yr) 2,72 4,2 3,41 0 35 0 0 2,85 0 3,75

TotalWomen

(%)Mean/ year

Mean net

study time (yr)

TotalWomen

(%)Mean/ year

Mean net

study time (yr)

a. 2000-2004 77 36 15,4 4,1 19 37 3,8 8,0b. 2005-2009 53 47 10,6 4,2 7 71 1,4 3,3c. 2009 10 30 4,2 2 50 4,3

Source: the national system used for documentation of academic information at higher education institutions in Sweden (Ladok)

1-50 % activity 51-100 % activity

Doctoral degrees

Licentiate degrees

Doctoral degrees Licentiate degrees

Research Evaluation for Development of Research at the University of Gothenburg 2010

Document 1C. Finances

Department of ChemistryPanel 8.Chemistry and earth sciences

2006 2007 2008 2009Profit and loss account (kSEK)Revenue 114 765 122 077 131 117 184 842Costs -108 962 -115 237 -129 490 -184 613

of which depreciations -3 429 -4 234 -4 978 -5 213Transfers -682 -1 000 -754 0Result 5 121 5 840 873 229

IncomeUndergraduate education 27 029 24 194 23 525 33 655Research 87 736 97 884 107 592 115 256

of which (selected)Gov faculty resources 46 618 44 785 47 405 59 048Grants for research 31 299 38 469 52 159 52 334Commissioned research 1 774 2 674 2 919 2 352

External funding (selected)

Income per group of financing (kSEK)Swedish research councils 15 310 17 299 25 476 31 036European Commission 2 796 9 844 12 337 8 060Other important funding 6 575 4 203 10 170 7 499

Number of projects per group of financingSwedish research councils 35 31 38 50European Commission 14 17 19 19Other important funding 7 5 6 7

1 SEK = 0,104 € = 0,127 US$; 1 June 2010

Sources: University of Gothenburg accounting system (EA datalagret) and database of external funding (EKO)

30-jun-2010Bibliometric Services/HC

Document 2a - Publication Lists

Department of Chemistry

Publication data for the department and staff 2004-2009 is reported from the university publication database.

Publication list for the whole department 2004-2009

Publication list for staff 2004-2009 by staff category

Staff marked with an asteriks (*) have personally verified their publication list during 2010. Staff on a grey

background have ended their term at the university during the period.

Professors

Ahlberg, Elisabet Ahlberg, Per Anderson, Leif*

Andreasson, Lars-Erik Billeter, Martin Hall, Per*

Hilmersson, Göran Holmlid, Leif Hulth, Stefan*

Håkansson, Mikael* Karlberg, Ann-Therese* Kjellander, Roland*

Lindqvist, Oliver Ljungström, Evert* Luthman, Kristina*

Neutze, Richard Nordholm, Sture Norrby, Per-Ola*

Nyman, Gunnar* Pettersson, Jan* Rydström, Jan*

Sjölin, Lennart* Turner, David R.* Wedborg, Margareta

Adjunct Professors

Grennfelt, Peringe

Senior Faculty (Swedish Docent)

Amedjkouh, Mohamed Andersson, Patrik U* Bergenholtz, Johan

Boman, Johan* Broo, Kerstin Chierici, Melissa*

Fransson, Agneta* Gräfenstein, Jürgen* Grøtli, Morten*

Hallquist, Mattias* Hansson, Örjan* Hassellöv, Martin*

Lahmann, Martina Nilsson, Åke Svensson, Jan-Erik

Tengberg, Anders* Wall, Staffan

Other Faculty and Postdoctoral Staff

Abbas, Zareen* Bonander, Nicklas Bråred Christensson, Johanna

Börje, Anna* Engman, Cecilia* Erdelyi, Mate

Gustafsson, Magnus* Hagström, Magnus Hedfalk, Kristina

Horsefield, Rob Jonsson, Charlotte Jutterström, Sara

Karlsson, Roger* Katona, Gergely* Matura, Mihaly

Mintrop, Ludger Noda, Jun Olsen, Are

Pedersen, Anders* Poulsen, Jens Aage Saitton, Stina

Sommar, Jonas Törnroth Horsefield, Susanna Westenhoff, Sebastian*

Postdoctoral Fellows

Andersson, Maria Andersson, Stefan* Breitbarth, Eike

Bäcktorp, Carina Dinér, Peter Engelbrektsson, Johan*

Engström, Pia Frankcombe, Terry J Friberg, Annika

Galanis, Athanassios S Janhäll, Sara Jonsson, Åsa M.

Kosinska-Eriksson, Urszula Ljungdahl, Thomas Olsson, Anders

Pemberton, Nils Redeby, Theres Stenfeldt, Anna-Lena

Strömberg, Niklas Södergren, Mikael

Ph.D. Students

Abrahamsson, Erik Ahlström, Bodil Ahmed, Istaq

Alfredsson, Anna Almroth, Elin Andersson, Sofia

Andresen Bergström, Moa Ankner, Tobias Badiei, Shahriar

Baumann, Kajsa Berggren, Kristina Berglund, Carina

Björnström, Joakim Brunnegård, Jenny Bäckman, Ola*

Carlsson, Anna-Carin Casari, Barbara Dahlén, Kristian

Dyrager, Christine Eek, William Ekvall, Mikael

Eurenius, Karinh Farkas, Daniel Filipsson, Caroline

Fischer, Gerhard Fredriksson, Jonas Gardfeldt, Katarina

Granander, Johan Gruvberg, Christer Gustafsson, Torbjörn

Hagvall, Lina Hakonen, Aron Hedström, Anna

Hjalmarsson, Sofia Jansson, Hanna Jeansson, Emil

Johansson, Linda C Johansson, Staffan Johansson, Tove

Johnson, Ann-Catrin J. H. Karle, Ida-Maja Karlsson, Anders

Karlsson, Isabella* Kjellander, Britta Kleimark, Jonatan

Kokoli, Theonitsa* Kovacevik, Borka Larsson, Per-Fredrik

Larsson, Tobias Lehmann, Fredrik Lennartson, Anders

Lindqvist, Stina Lundin, Angelica Lüder, Kai

Malmerberg, Erik Malmodin, Daniel Nayeri, Moheb

Niklasson, Ida Nilsson, Daniel Nilsson, Johanna*

Oberg, Fredrik Olofson, Frans Olsson, Susanne

Romero Lejonthun, Liza* Ryding, Mauritz Johan* Rönnholm, Petra

Saline, Maria Salo, Kent Samuelsson, Kristin

Saxin, Maria* Schantz Zackrisson, Anna Simonsson, Carl

Stolpe, Björn Sundgren, Andreas Suter, Martina

Svane, Maria Svensson, Erik Tranberg, Mattias

Tullberg, Marcus Wagner, Annemarie Wernersson, Erik

Wiktelius, Daniel Wåhlström, Irene* Öjekull, Jenny

Other Research Staff

Carlberg, J Jam, Fariba Shannigrahi, Ardhendu Sekhar

Other Non-Research Staff

Ewing, Andrew G

30-jun-2010Bibliometric Services/HC

Document 2b - Bibliometric Self Evaluation Summary

Department of Chemistry

Number of publications reported to the publication database per year

and document type

2004 2005 2006 2007 2008 2009 Total

Chapter in monograph, book 0 6 1 4 2 4 17

Conference paper - peer reviewed 11 5 10 10 6 12 54

Doctoral thesis 22 20 14 13 7 8 84

Licentiate thesis 0 3 4 0 2 4 13

Monograph, book 0 0 1 0 0 1 2

Report 0 2 2 2 1 2 9

Scientific journal article - peer reviewed 141 111 99 125 136 127 739

Scientific journal article - review article 0 1 1 1 3 2 8

Total 174 148 132 155 157 160 926

of the publications published 2009 have been personally verified of at least one author.47 %

Most frequently used journals

Journal of Chemical Physics 38

Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 29

Marine Chemistry 16

Physical Chemistry Chemical Physics 15

Atmospheric Environment 14

Chemical Research in Toxicology 14

Contact Dermatitis 13

Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical 13

Acta Crystallographica. Section E: Structure Reports Online 12

American Chemical Society. Journal 12

Deep-Sea Research. Part 2: Topical Studies in Oceanography 12

Tetrahedron: Asymmetry 12

Department of Chemistry - Page 2

Most frequently used publishers

Springer Verlag 29

Blackwell Publishing 25

Chalmers University of Technology 11

Intellecta Docusys 8

American Geophysical Union 7

Blackwell Munksgaard 6

Wiley 6

Nature Publishing Group 5

University of Gothenburg 4

Elsevier 4

Maik Nauka/Interperiodica 4

Swedish Polar Research Secretariat 4

Collaboration

Publications with only one author 15 %

Publications published in collaboration with at least one author outside the department 62 %

Publications published in collaboration with at least one author outside the university 56 %

Department of Chemistry - Page 3

Typical external organisations where collaborators are found:Chalmers 122

Stockholm Univ 30

Uppsala Univ 21

Penn State Univ 19

Lund Univ 15

Univ Bergen 15

Sahlgrens Univ Hosp 13

Univ Copenhagen 12

AstraZeneca R&D 11

Univ Tromso 10(ext org should be regarded as a sample since data from external databases, Web of Science and Swepub, is used)

International collaboration

Refereed journal articles published in collaboration with at least one author outside Sweden 48 %

Typical countries where collaborators are found:USA 85

Germany 52

United Kingdom 49

Norway 43

Denmark 41

France 34

Spain 19

Canada 17

Italy 15

Netherlands 14(countries should be regarded as a sample since data from an external database, Web of Science, is used)

Interdisiplinary collaboration

Interdisiplinary publications published in collaboration with an author outside the department,

but within the school 10 %

Interdisiplinary publications published in collaboration with an author outside the school,

but within the university 4 %

Research Evaluation for Development of Research at the University of Gothenburg 2010

Document 3. Quantitative Summary of Research Activities

Department of ChemistryPanel 8. Chemistry and earth sciences

Total numbers

Number of individuals

3.1. Engagement in the scientific community (total number and number of individuals, involved, 2004-2009)254 4246 1960 22232 4084 2759 2165 2323 1166 30141 38

3.2. International cooperation 2004-2009

9 6120 4211 791 240 0

3.3. Recruitments 2004-2009

men 6women 1men 0women 1men 5women 3men 4women 0

3.4. Interaction with society (number of)12 54 4

21 1039 163 3

3.5. Prizes, awards etc.

41 20

Source: data submitted by the individual researchers

In all contexts of this evaluation the expression “scientific” includes research and development activities at the Faculty of Fine, Applied and Performing Arts

a. Invited speakers at international conferencesb. Plenary or key note lectures (subset of a.)c. Invitations to organize and chair sessions at international conferencesd. Invited scientific seminars at other departments or universitiese. Work for research councils and foundations etcf. Evaluators for research positionsg. Opponent at dissertationsh. Editorship (editor or member of board)i. Academy membership – selected fellowships in professional associationsj. Other scientific activities of significance (conference organisation etc)

a. Research visits abroad (more than 3 months)b. Research visits abroad (1 week to 3 months)c. Guest researchers (visiting Gothenburg more than 3 months)d. Guest researcher (visiting Gothenburg 1 week to 3 months)e. Regular guest programsf. Number of departments the reporting department has joint publications with (this entry is excluded from document 3. See document 2B.)

a. Number of newly employed staff with a PhD-degree from other universities

d. Popular science articles and bookse. Text books (aimed for schools or general public)

a. Prizes, awards etc.

b. Number of newly employed staff with a PhD-degree from the University of Gothenburg, except own departmentc. Number of newly employed staff with a PhD-degree from the own department (at the University of Gothenburg)

d. Adjunct professors

a. Government and other clear-cut social commissionsb. Spin-off companiesc. Patents

RED 10 E

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RED 10 Evaluation Department of Chemistry

2

Table of Contents:

4.1 General description of the Department and research activities. 3

4.1.1 Organisation and administration of unit. 3

Table of Faculty including citation summary. 5

4.1.2 Special resources. 6

4.1.3 General description of the total research profile. 8

4.1.4 Multi- & interdisciplinary activities. 11

4.1.5 Interactions with other departments at GU. 13

4.1.6 Interactions within the department. 14

4.1.7 Relationship between research and teaching. 15

4.1.8 Standing of the department in a national / international context. 16

4.2 SWOT analysis with regard to the research of the Department. 17

4.3 Description of successful research areas with a strong national or international impact. 18

4.3.1 Medicinal Chemistry. 19

4.3.2 Analytical chemistry methods for single cell analysis. 21

4.3.3 Membrane protein structure and dynamics. 23

4.3.4 Marine polar research. 25

4.3.5 Selective and sustainable catalysis. 27

4.3.6 Colloidal gels: attraction driven glasses. 29

4.3.7 Actions needed to ensure successful development. 31

4.4 Description of most promising research areas or research directions in the Department. 33

4.4.1 Vision. 33

4.4.2 Strategic planning. 33

4.4.3 Recruitment & renewal. 34

4.4.4 Promising research. 35

4.4.5 Future planning. 37

4.4.6 General remarks. 38

4.5 Description of Departmental strategy for societal influence and interaction. 39

4.6 List of most important publications. 41

4.7 List of publications which best represent innovative research activities. 43

4.8 Publications and documentation showing considerable influence on social life. 44

4.9 Publications from 2010 of special importance. 46

4.10 Other achievements of innovative significance. 48

4.11 Prizes and awards. 50

4.12 Links to additional relevant information. 52

RED 10 E

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RED 10 Evaluation Department of Chemistry

4

Important changes compared to the previous

organisational structure include the

establishment of the Research Council, the

Innovation Council and the composition of the

executive committee, which now achieves a

balance covering all aspects of the

Department’s activities. The Innovation

Council handles our outreach efforts, which

are more fully described in Section 4.5. The

Education Council handles issues related to

both undergraduate and graduate studies where

the chair, the deputy HoD, has overall

responsibility. The deputy HoD is assisted by

three directors of studies, one of who is

assigned to graduate education. The Research

Council handles issues relating not only to

research but also strategies concerning the

recruitment of new faculty.

Day-to-day activities are formally led by the

HoD. In practice, much is handled within

almost a dozen constellations of research

groups (Table 1). These constellations consist

of one or a few professors and their groups

who have considerable freedom in managing

their research, although the HoD has overall

economic responsibility for the Department.

There are in total approximately 160

employees in the Department of Chemistry

(approximately 130 full time equivalents). Of

these 34 are tenured faculty (Table 1), 4 are

adjunct professors, 5 scientifically active

emeritus professors, approximately 25 are

research associates (assistant professors,

“forskarassistent”), postdocs or persons on

non-tenured research positions, and there are

approximately 80 PhD students. We also have

12 people employed in vital support functions,

including administrative, technical and

laboratory support.

Table 1 presents the faculty members of the

Department and where they belong within the

different research constellations. Some

constellations share equipment, while some

share with similar research constellations at

Chalmers University of Technology.

Geographically, most of the Department is

located at the Johanneberg Campus, sharing

facilities with Chalmers University of

Technology. The exception is the sections for

Biochemistry and Biophysics, which are

located at Medicinarberget (“Medical Hill”),

sharing the Lundberg Laboratory building with

the Department for Cell and Molecular

Biology, placed adjacent to the Swedish NMR

Centre.

RED 10 Evaluation Department of Chemistry

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Table 1: Overview of Faculty employed and main research activities at the Department of Chemistry (Professor, P; Senior Lecturer, L; and Researcher, R).

Faculty and research areas

Year of PhD H-index

# of papers

Citations Citations /paper

Bio-molecular chemistry Analytical Chemistry Andrew Ewing (P) 1983 53 213 9299 44

Biochemistry Kristina Hedfalk (R) 2002 10 23 338 14 Gergely Katona (R) 2004 10 20 366 18 Richard Neutze (P) 1995 19 57 1825 31 Jan Rydström (P) 1972 27 186 2773 16 Susanna Horsefield-Törnroth (R) 2002 9 16 855 53 Biophysics Martin Billeter (P) 1985 45 111 14846 134 Örjan Hansson (L) 1986 23 63 2103 33 Dermatochemistry Anna Börje (R) 1997 13 31 566 18 Ann-Therese Karlberg (P) 1988 23 129 1731 13 Inorganic Chemistry Lennart Sjölin (P) 1979 22 60 2208 22 Medicinal Chemistry Morten Grötli (L) 1997 17 51 825 16 Kristina Luthman (P) 1986 25 111 2718 24 Environmental Chemistry Atmospheric Science Johan Boman (L) 1990 10 35 249 7 Mattias Hallquist (L) 1998 13 32 498 16 Evert Ljungström (P) 1979 20 82 1326 16 Jan Pettersson (P) 1990 23 105 1408 13 Marine Chemistry Katarina Abrahamsson (P) 1990 14 38 731 19 Leif Anderson (P) 1981 26 78 2310 30 Melissa Chierici (R) 1998 9 21 200 10 Per Hall (P) 1984 24 56 2227 40 Stefan Hulth (P) 1995 19 40 920 23 David Turner (P) 1977 24 67 2042 30 Margareta Wedborg (P) 1972 14 32 564 18 Nanochemistry Martin Hassellöv (L) 1999 10 22 359 16 Fundamental Chemistry Electrochemistry Zareen Abbas (R) 2002 6 14 96 7 Elisabet Ahlberg (P) 1980 17 103 1106 11 Organic Chemistry Göran Hilmersson (P) 1996 24 58 1510 26 Mikael Håkansson (P) 1990 19 93 1103 12 Per-Ola Norrby (P) 1992 35 122 3148 26 Physical Chemistry Johan Bergenholtz (L) 1996 19 35 1392 40 Roland Kjellander (P) 1975 31 75 3619 48 Sture Nordholm (P) 1972 27 190 3372 18 Gunnar Nyman (P) 1987 24 100 1804 18

RED 10 Evaluation Department of Chemistry

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4.1.2 Special resources

RED 10 Evaluation Department of Chemistry

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RED 10 Evaluation Department of Chemistry

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4.1.3 General description of total research profile

Research of the Department is characterized by

a balance between “fundamental research”,

here taken to mean emphasis on developing

new methods, theories or instruments, and

“applied research”, here taken to mean the

application of existing methods, theories or

instruments. The Department has groups

working in the traditional areas of inorganic

chemistry, organic chemistry, physical

chemistry, biochemistry, biophysics and

analytical chemistry. These areas of research

originate from the first establishment of

chemistry within the University of

Gothenburg. Today there are six additional

research areas covered: environmental

nanochemistry, marine chemistry, atmospheric

science, medicinal chemistry, electrochemistry

and dermatochemistry (Table 1).

Due to the scientific foresight of our first

professor of analytical chemistry, David

Dyrssen, tools of inorganic chemistry were

applied to issues concerning our marine

environment. These early initiatives have since

led to the establishment of a highly successful

research constellation in marine chemistry.

This group is very well known for its polar

research where they are a significant global

player (Section 4.3.4).

To broaden the scope of analytical chemistry, a

new professor was recruited in 2007 and he is

now building a strong group with focus at

single cell analysis (Section 4.3.2 and 4.4).

AstraZeneca is a major pharmaceutical

research oriented company, located less than

10 km from the Department. We thus

recognised the opportunity to establish

research in this area that would simultaneously

strengthen our interests in traditional organic

chemistry and applied science. Through a

successful strategic application for a Knut and

Alice Wallenberg grant, the medicinal

chemistry group was established at the

Department in 2001. Kristina Luthman was

appointed Professor of Medicinal Chemistry

and she has built a strong constellation

working in this field (see 4.3.1).

With a division of Medicinal chemistry

established within the Department, this opened

the door to recruit a group working in the

scientifically related field of dermatochemistry

at the National Institute of Occupational Health

in Stockholm where, at that time, research

units were being reorganized. Professor Ann-

Therese Karlberg moved her research group to

the Department in 2002 and, since then, has

successfully established the unique field of

dermatochemistry (Section 4.4).

In 2003 the Department formed a constellation

for atmospheric science by joining researchers

in physical chemistry and inorganic chemistry

with environmental physicists, who were then

relocated to chemistry. Our atmospheric

science constellation is unique in Sweden in

RED 10 Evaluation Department of Chemistry

9

that it takes a molecular approach to transport

and reaction processes in the atmosphere. A

unifying research theme is the study of

aerosols, and the activities range from

fundamental studies of chemical reactions on

the molecular level, to applied work including

field studies of atmospheric processes. In

addition to the fundamental interest, these

studies are of key importance to current

climate and air quality research and contribute

to developments in the fields of colloidal

chemistry, nanotechnology and medicine. The

success in this area will be further underlined

by the recruitment of a new professor (Section

4.4).

Most recently a group in environmental

nanochemistry has also been established. This

activity is rapidly growing and building

interfaculty collaborations, for which it has

been awarded a major research grant aimed at

the creation and development of a strong

research environment (Section 4.4).

Returning to the traditional areas of chemistry,

the inorganic chemistry constellation has

several interests including bioinorganic

chemistry, particularly of small blue copper

proteins and their role in electron transfer

chains in photosynthesis and in

nitrification/denitrification processeses by

bacteria. Closely related is the constellation

focussing on electrochemistry, where a strong

reputation is being built. This electrochemical

research spans different areas such as

fundamental theoretical studies of ion-ion

interaction, surface charging of nanoparticles,

reaction mechanisms for electrocatalysis and

electron transfer of transition metal complexes.

Theoretical studies are strongly coupled to

experimental activities such as oxygen

reduction, epoxidation of alkenes,

electrochemical properties of surface bound

transition metal complexes, electrochemical

induced deposition of oxides and hydroxides,

surface complexation and solid state

conduction.

The organic and organometallic chemistry

constellation is well known for its work on

reaction mechanisms, asymmetric synthesis

(Section 4.10), structure and bonding, and

advanced applications of NMR spectroscopy

(Section 4.4) and computational chemistry

combined with experiments on homogeneous

catalysis (Section 4.3.5). Particularly

appreciated is their work on new methods in

organic synthesis, especially samarium

(Section 4.10) and lithium chemistry.

The physical chemistry constellation works

broadly and has earned an international

reputation for its theoretical research,

particularly in statistical mechanics with focus

on liquid state theory. This includes the proper

and self-consistent treatment of electrolyte

systems. Another focus is quantum dynamics

and its interface to classical dynamics (Section

4.4) and recent applications to astro-chemistry.

A further area of focus for the physical

chemistry constellation is colloid and interface

RED 10 E

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RED 10 Evaluation Department of Chemistry

11

4.1.4 Special multi- & interdisciplinary activities

A large fraction of the work performed in the

Department is highly collaborative and

interdisciplinary. Most research groups

perform science, on a day-to-day basis, that

involves chemistry and other disciplines like

mathematics, physics, biology, pharmacy, or

medicine. Moreover, the researchers at the

Department collaborate extensively within

inter-disciplinary research projects often

performed through collaboration with a

research groups outside chemistry.

To illustrate the point, Table 4 presents a

summary of the European Union funded, and

primarily interdisciplinary, collaborations that

researchers within the department participated

in during the review period. Although this

table falls well short of summarising all the

multi-disciplinary work ongoing within the

department, it does contain collaborative work

which has passed a stringent process of

external review and been judged to be ahead of

the competition.

RED 10 Evaluation Department of Chemistry

12

RED 10 Evaluation Department of Chemistry

13

4.1.5 Relationship to and interactions with other departments within GU

Within the Faculty of Science we have several

scientific interactions with the departments for

Earth Science, Physics, Mathematics, and the

four biology departments, particularly with

Cell and Molecular Biology with which our

groups in Biochemistry and Biophysics share a

building. We also share some administrative

personnel with the Department for Cell and

Molecular Biology and access equipment

belonging to each other. We also have

scientific interactions with departments outside

of science and medicine. One noteworthy

interaction is with social sciences, in a new

research collaboration on risk assessment of

nano-particles.

Our relationships with most of the other

departments within GU are, in general, not as

developed. Our strongest interactions are with

other departments in the Faculty of Science

and a few departments in the Faculty for

Medicine (Pharmacology, Biomedicine,

Dermatology).

The Department interacts not only with other

departments within GU, but also with

departments at our sister university, Chalmers

University of Technology, and in particular

with their Chemistry Department with which

we share many facilities. Our relations are

excellent, bringing many advantages to both

parties. We share the cost of joint facilities

(several research and course instruments and

some administrative support) and are able to

access facilities belonging to each other.

Moreover, a lack of strength in one area of

chemistry at GU is often compensated by a

specific strength at Chalmers, and vice versa.

This provides a strong, thriving research

environment and creates a win-win situation.

We also have substantial interactions with the

departments for Physics and Mathematics at

Chalmers. A concern with these collaborations

is that on the Johanneberg campus, staff from

GU (about 230 people) is completely

outnumbered by staff at Chalmers (about 2300

people). This creates a serious problem of

visibility for the Department.

The Swedish NMR Centre is not a department

but a separate administrative unit, with which

the Department of Chemistry has research

collaborations and administrative connections.

In particular, PhD students of the Swedish

NMR Centre are formally enrolled with us.

During the last few years the Faculty of

Science has encouraged inter-departmental

research collaborations, called “platforms”, by

setting aside substantial internal funding for

this specific purpose. Based on mid-term

evaluations, the Department of Chemistry

coordinates one of the most successful of these (Skin Research Centre in Gothenburg), and

participates actively in four of the other (out 10

funded in total).

RED 10 Evaluation Department of Chemistry

14

4.1.6 Interactions within the Department

Organised interactions occur in several ways

within the Department. The board of the

Department, the executive committee, the

Research Council, the Education Council and

the Innovation Council all meet regularly. We

intend to prioritise between future activities in

joint strategic planning meetings between the

three councils twice a year, with the first one to

be held in the fall of 2010.

We hold monthly Departmental meetings for

all personnel, where part of the time is also set

aside to discuss issues that involve education.

There are less frequent, but regular, meetings

between the HoD and the council for the

doctoral students, with all doctoral students

and with the technical and administrative staff.

The three directors of undergraduate and

graduate studies meet weekly with the deputy

HoD. Doctoral students also organise their

own regular meetings, as do the technical and

administrative staff.

Social interactions for the whole Department

are arranged at least once a year. Social

interactions within the research constellations

are in many cases frequent. Every Friday

afternoon the Department organises joint

coffee for the whole Department. On particular

occasions, e.g. 50-year birthdays, departmental

celebrations are organised. We also plan to

introduce monthly faculty lunches.

With respect to specific research projects, most

research constellations hold weekly meetings

with a scientific content, maybe as an informal

(group) seminar, but also discussing

organisational and safety issues relevant to the

group. There are numerous research

collaborations between individual researchers

and between constellations of researchers

within the Department, including jointly

financed PhD students.

Since the Department of Chemistry was

reorganised into one Department in 2003 the

number of collaborations and interactions

within the Department has grown. There is, for

example, a weekly Departmental seminar

series organized jointly with Chalmers, and an

international guest often gives this lecture.

Overall, we believe that increasing the social

interactions further is beneficial.

RED 10 Evaluation Department of Chemistry

15

4.1.7 Relationship between research and teaching

The Department has a policy that each faculty

member should teach a minimum of 10% of

their time. It would also be desirable to keep

teaching assignments below 25% to give each

faculty member ample time for research, but at

present we do not manage this. The policy that

all faculty both teach and perform research is

in line with the University policy of complete

academic environments with links between

strong research and teaching.

In all courses, from first year, every teacher is

expected to somewhere in the course connect

the lecturing to current research. In problem-

based learning this is done by taking examples

based on research problems. In second year

courses, students are frequently given

opportunities to meet the researchers in the

area and also enjoy short research

presentations.

Upper level courses are only given in areas

where the Department has special competence,

and here the research connection is obviously

strong. Our education programmes emphasise

the importance of laboratory work for

chemistry students, and for upper level courses

laboratory exercises are normally performed in

research laboratories. For the first degree

(B.Sc.), all students perform a 10-week project

that has a direct link to research. At the

advanced (Masters) level, most students pursue

a research project of half a year to one year in

length within the Department. In addition,

several students perform their research projects

elsewhere, for example at AstraZeneca,

AstraTech and EKA Chemicals. The close

coupling between research and teaching is

exemplified in that e.g. Master projects

frequently contribute to publications in peer-

reviewed journals. Graduate courses are, of

course, directly related to research activities

within the Department.

In addition to extensive lecture notes by

several members of the faculty, two published

textbooks derive to a substantial extent from

experiences in our research activities:

S. Nordholm, W. Eek, G. Nyman and G.

Backskay, “Kvantmekanik för kemister. På

spaning efter atomers egenskaper och

molekylers bindningar” (“Quantum Mechanics

for Chemists; In search for properties of atoms

and molecular bonds.”) Book, Studentlitteratur

Förlag, Lund, 2009

R. Kjellander "Vad är drivkraften i

molekylernas värld? En molekylär introduktion

till termodynamik." ("What is the Driving

Force in the World of the Molecules? A

Molecular Introduction to Thermodynamics.")

Book, Studentlitteratur Förlag, Lund, 2002.

RED 10 Evaluation Department of Chemistry

16

4.1.8 Standing of the department in a national & international context

Research:

Table 1 presents bibliometric data for all

members of faculty at the Department. Section

4.3 describes six research environments that

we judge to be nationally leading in their

respective fields, and in some cases at the very

cutting edge of international developments.

Grants from the Swedish Research Council

(VR) are frequently taken to provide stamp of

quality in Swedish academic research. Figure 2

shows the growth in funding from VR

experienced since 2004. Moreover, 19 of 34

members of faculty (54 %) have ongoing

grants with VR. Another important indication

is the large number of EU supported grants that

the Department participates in.

Finally, two members of faculty (Leif

Anderson and Sture Nordholm) are elected

fellows of the Swedish Royal Academy of

Sciences (KVA), which is the highest honour

given in Swedish Academia.

Altogether, we feel that the Department has a

positively developing trend gaining a strong

and respected research standing nationally and

internationally.

Teaching:

The Department attracts 40% of the nation’s

university students in chemistry (chemical

engineering not counted). We plan to increase

our attention to international recruitment of

students to our master degree programmes.

90% of our students receive qualified

employment within three months of their

graduation. We constantly review the

pedagogical approach implemented in

undergraduate and graduate teaching. The

recently introduced clicker activities provide

an example of interactive tools for student

learning that has been well received by the

students. One of our teachers (Roland

Kjellander) has received the University

teaching award. We rank our Department as

one of the leading in the nation with regard to

teaching.

RED 10 Evaluation Department of Chemistry

17

4.2 SWOT analysis with regard to the research of the Department

Strengths

• Well-balanced age structure among the faculty.

• Good publication rate in high-quality journals.

• Balance between basic and applied research where the latter may develop from the former.

• Close connection between research and undergraduate courses.

• The fairly large Department stabilizes the economy.

• Sharing building with the Chemistry Department at Chalmers provides good infrastructure and a strong creative research and teaching environment.

Weaknesses

• There is no natural location for day-to-day contacts for the whole Department.

• Some in the faculty are without external grants, resulting in heavy teaching assignments and/or other duties.

• Comparably few large-scale external grants.

• Low mobility after tenure, rather few postdocs, few guest programs and no right to sabbatical, limits influx of ideas.

Opportunities

• Growing networks, cooperation with Chalmers, Faculty of Medicine and industry.

• A recent recruitment in analytical chemistry is on the verge to establish a world-leading research group.

• A recent recruitment in biochemistry is attracting excellent collaborators who with proper support will be part in making this group world-leading.

• Recent establishment of strong research environment in risk assessment of nanoparticles.

• Strategic collaboration with Lund leads to new professorship in chemical modeling of the atmosphere.

• There are several promising young researchers in the Department.

• Adding adjunct professors

Threats

• Few chemistry students (which is a national problem).

• Rigid employment rules.

• Young promising researchers are on short-term positions and there is not a tenure track system.

• Internal recruitment.

• There is essentially no free money or capital for strategic hires etc at Departmental level.

• PhD-students are extensively externally funded.

• Swiftly changing funding principles from the Faculty of Science

RED 10 Evaluation Department of Chemistry

18

4.3 Description of the most successful research areas with a strong national or international impact

As discussed in Section 4.1.1, the breadth of

research activities and the balanced mix

between applied and fundamental research

constitute important strengths of the

Department. In the following section we have

selected six strong research areas from the

three major divisions of research within the

Department (Table 1). These highlighted

activities are within the areas of: Medical

Chemistry, Analytical Chemistry,

Biochemistry, Marine Chemistry, Organic

Chemistry and Physical Chemistry. These

diverse projects illustrate both the breadth of

the research environment of the Department

and the relevance to important concerns of the

society. In addition to these selected projects

there are also other research activities in the

department that are highly successful.

RED 10 E

4.3.1 Med

Faculty: K

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RED 10 Evaluation Department of Chemistry

20

Wallén et al., Org. Lett. 9:389 (2007) and

Fridén-Saxin et al., J. Org. Chem. 74:2755

(2009)]. Also the fluorescent properties of 3-

hydroxychromones have been explored in

more detail, whereby we successfully used two

analogues for studies in living human cells

[Dyrager et al., Chem. Eur. J. 15:9417 (2009)].

Currently, we are exploring chromone and

chromanone derivatives as peptide secondary

structure mimetics.

A similar strategy has been used to develop

series of compounds comprising a

diketopiperazine scaffold. Efficient synthetic

methods have been developed [Tullberg et al.,

Tetrahedron 62:7484 (2006), Tullberg et al., J.

Comb. Chem. 8:915 (2006), Jam et al.,

Tetrahedron 63:9881 (2007), Tullberg et al., J.

Org. Chem. 72:195 (2007)] and interesting

derivatives useful as peptide secondary

structure mimetics are presently being studied.

In a third project the first potent and

efficacious non-peptidic agonists at the human

urotensin II receptor were developed

[Lehmann et al. J. Med. Chem. 49:2232

(2006), Lehmann et al. Eur. J. Med. Chem.

42:276 (2007), Lehmann et al. Bioorg. Med.

Chem. 13:3057 (2005), 17:4657 (2009) & in

press 2010]. In this context a series of

compounds have been synthesized and used to

establish structure-activity relationships,

recently involving an in vivo study around

several compounds. Three patent applications

have resulted to date from this project.

We are also developing kinase inhibitors useful

both in the treatment of cancer [Dinér et al.,

New J. Chem. 33:1010 (2009)] and tropical

diseases [Klein et al., Org. Biomol. Chem.

7:3421 (2009)] and as novel tools for detailed

studies of cellular signaling processes.

Recently also projects aimed at the

development of protease inhibitors aimed as

novel antibacterial agents [Berggren et al.,

Bioorg. Med. Chem. 17:3463 (2009)], and

histone-deacetylase inhibitors useful in

different age-related diseases such as cancer

were initiated. Currently, we are exploring

chromone and chromanone derivatives as

potent and selective kinase inhibitors and as

potent and selective SIRT2 inhibitors.

National and international standing:

The Medical Chemistry Group was established

in 2001 with support from the Wallenberg

Foundation. Since then we have attracted

external funding from the European

commission, the Swedish Research Council,

and from pharmaceutical industry. We are

active in several national and international

research networks, in two research platforms

within the Faculty of Science, and two research

Centres at GU. In Sweden only Uppsala

University and the University of Gothenburg

have divisions in medicinal chemistry. At the

completion of the current recruitment of a

Senior Lecturer in computational chemistry we

will have all necessary competence and the

critical mass that is representative for

nationally strong and internationally

competitive research in medicinal chemistry.

RED 10 Evaluation Department of Chemistry

21

4.3.2 Analytical chemistry: methods for single cell analysis

Faculty: Andrew Ewing.

Background.

As the population gets older and diseases of

aging becomes more prevalent, understanding

the science of the brain will increasingly

contribute to major issues in health-care.

Developing new technologies in chemical

analysis will be a critical aspect of any strategy

to meet the needs of the twenty-first century.

One frontier area regarding health care and

biology is the development of analytical

methods to investigate the chemistry of brain

cells.

Project Description:

The Ewing analytical chemistry group

develops chemical techniques to measure

neurotransmitters, metabolites, and structural

molecules like membrane lipids both

dynamically and statically at single cells.

Three different analytical methods are

developed and used - capillary electrophoresis,

electrochemistry, and mass spectrometry

imaging. Specific goals include understanding

exocytosis and disease, analysis methods to

develop an artificial model of Parkinson’s

disease, development of high-throughput

methods to analyze the content of nanometer

transmitter vesicles, and analysis of lipid

domains in cells and their function.

Achievements:

Ewing has pioneered small-volume chemical

analysis and measurements at single cells.

Methods have been developed to carry out

electrochemistry in single cells, single cell

analysis by capillary electrophoresis,

amperometric measurements of exocytosis at

Pheochomocytoma (PC12) cells; and the first

zeptomole analysis in this area. In the last

decade, methods from this group have been

used to make the startling discovery that

transmitter vesicles increase and decrease in

volume to maintain concentration homeostasis

[Colliver et al., J. Neurosci. 20:5276(2000)];

develop an artificial cell system using

liposomes and lipid nanotubes to mimic

exocytosis [Cans et al., PNAS 100:400 (2003)]

and an artificial synapse [Cans et al., Analyt.

Chem. 75:4168 (2003)]; and pioneer the use of

small-volume analytical methods for analysis

of molecules in the brain of the fruit fly,

Drosophila melanogaster [Ream et al., Analyt.

Chem. 75:3972 (2003), Powell et al., Analyt.

Chem. 77:6902 (2005), Makos et al., Analyt

Chem. 81:1848 (2009), ACS Chem. Neuro.

1:74 (2010)]. Novel analytical approaches have

been developed for electrochemical imaging of

single cells [Zhang et al., Analyt, Chem.

80:1394 (2008)] as well as new strategies to

separate individual nanometer vesicles from

cells and quantify their contents [Omiatek et

al., Analyt, Chem. 81:2294 (2009), ACS

Chem Neuro. 1:234 (2010)]. In another area,

chemical imaging with nanometer spatial

resolution mass spectrometry imaging at the

submicrometer level has been used to

understand domains in cell membranes

RED 10 Evaluation Department of Chemistry

22

[Ostrowski et al., Science 305:71 (2004),

Kurczy et al., PNAS 107:2751 (2010)].

International Standing:

Ewing has received a great deal of recognition

for his work on single cells. One publication in

Science on mass spectrometry imaging in 2004

has already been cited 113 times. Ewing’s

work has been cited 9336 times, 26 papers

have been cited over 100 times, Ewing’s H-

index is 53 of 215 published papers. In the last

decade Ewing has been invited to present his

work at 120 international meetings and

universities. During 2010 Ewing will present

three major lectures at International Meetings:

a Plenary Lecture at the International

Conference on Electroanalysis (ESEAC) in

Gijon, Spain; the International Society for

Electrochemistry meeting in Nice, France; and

a Keynote Lecture at the In Vivo Methods of

Analysis meeting in Brussels, Belgium. He has

won several high profile awards including in

2006 the Eastern Analytical Symposium

Award for Advances in the Fields of

Analytical Chemistry, and the Analytical

Division of the ACS Award for Chemical

Instrumentation

Figure 4: Analytical methods under development include small electrochemical probes of neurotransmitter

molecules, capillary electrophoretic separations of samples from transmitters in fly brains to vesicles, imaging

transmitter release with optical methods, and mass spectrometry imaging with secondary ion mass spectrometry

for use in work ranging from fundamental neuroscience to molecular mechanisms of disease.

RED 10 E

4.3.3 Medynamic

Faculty:

Richard N

Backgrou

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RED 10 Evaluation Department of Chemistry

25

4.3.4 Marine Polar Research

Faculty: Katarina Abrahamsson, Leif

Anderson, Melissa Chierici, Per Hall, Stefan

Hulth, David Turner.

Background

Climate change is one of the largest challenges

for society that we have to consider for future

progress. Actions taken today have to be based

upon the best possible projections, which in

turn must consider the fully coupled climate

system. The region where climate change is

first manifested is at high latitudes, notably the

Arctic, with its high potential impact on

biogeochemical processes and feedbacks to the

global climate system.

Ever since the 1980 expedition on the Swedish

icebreaker Ymer (YMER-80) to the arctic

waters surrounding Svalbard, scientists at the

Department of Chemistry have been actively

involved in marine polar research. Research

has focused mainly on the Arctic Ocean, but

has also included expeditions to the Southern

Ocean. A wide range of topics have been

addressed, for example the carbon cycle in

water column and benthic environments,

speciation and concentrations of trace metals,

tracer oceanography, and volatile organo-

halogens (VOH).

Project description

Our research aims to assess feedbacks between

environmental change and key biogeochemical

processes in the ocean, with particular focus on

the exchange of radiative gases across the air-

sea boundary. Important aspects include how

the change in summer sea ice coverage will

affect the air-sea flux of CO2 and VOHs. This

couples to the physical mixing and biological

activity in the ice-free surface water.

Furthermore, with less summer sea ice

coverage more sea ice will be produced during

the winter season. Formation of sea ice during

winter is a key variable for brine production,

promoting ocean ventilation, and processes

within the sea ice, such as frost flower

production. These latter topics both relate to

the exchange of CO2 and VOHs with the

atmosphere.

Other aspects of our research focus on the

coupling between the thawing of permafrost,

both on land and in the sea floor, and organic

matter degradation. Thawing of permafrost

exposes more organic matter, thus promoting

organic matter degradation that result in

increased seawater pCO2. Thawing of the sea

floor permafrost can also lead to a significant

mobilization of gas-hydrates, including

methane.

Achievements

For 30 years we have used state-of-the-art

instrumentation, often developed at the

Department, to study the biogeochemical

characteristics of the Arctic Ocean. These

investigations require knowledge of the

physical conditions of the surface water that

interacts with the sea ice and the atmosphere

[Rudels et al., J. Geophys. Res., 101:8807

(1996)].

RED 10 Evaluation Department of Chemistry

26

We were the first to make a carbon budget of

the Arctic Ocean, quantifying in and out fluxes

with surrounding seas, input by river runoff

and uptake from the atmosphere [Anderson et

al., Global Biogeochem. Cycles, 12:455

(1998]. Through studies in Storfjorden, we

showed how sea ice production promotes air-

sea exchange, exemplified by an enhanced

uptake of atmospheric carbon dioxide

[Anderson et al., J. Geophys. Res. 109:C01016

(2004)]. We were also the first to report how

terrestrial organic matter added to the shelf

seas gives rise to out-gassing of CO2 to the

atmosphere, even in the summer when marine

primary production is active [Anderson et al.,

Geophys. Res. Lett., 36:L20601 (2009)].

Figure 7: Map of the Arctic Ocean north of Russia

illustrating the partial pressure of CO2 in the surface

water in August 2008. Atmospheric partial pressure

of pCO2 was about 290 µatm, showing that most

parts west of 160oE promoted a flux from the ocean

to the atmosphere.

In the early 1980s we demonstrated the natural

production of VOHs in the Svalbard area,

suggesting that these ozone depleting

substances are produced, to a large extent, by

organisms in marine environments [Dyrssen

and Fogelqvist, Oceanol. Acta 4:313 (1981)].

Studies during recent years have allowed us to

quantify VOHs production in sea ice and snow,

and have shown the importance of these

environments for the natural production of

brominated and iodinated compounds

[Abrahamsson et al., manuscript].

National and international standing:

Our marine polar research has, for many years,

provided a leading platform in Swedish polar

research. A leading role is substantiated by the

publication and grant records (including EU

projects ESOP, TRACTOR, CarboOcean,

Damocles, EPOCA, Table 4), as well as the

assignments as chief scientists on research

cruises to the Arctic (Anderson 1991, and

2002) and Southern Oceans (Anderson

1988/89, Turner 1997/98, and Abrahamsson

2008/09). These cruises have been performed

jointly within international collaborations, for

example as multi-ship expeditions together

with German and US research vessels, or by

collaborated studies on a single ship. A high

national standing is also reflected in the fact

that Anderson is an elected fellow of the

Swedish Royal Academy of Science (KVA).

A high standing on the international arena is

supported by frequent invitations to participate

in joint collaborations on ships from other

countries, to give plenary presentations at

international meetings and conferences, and to

participate in the scientific advisory boards of

world leading research institutes (Anderson

AWI and Turner IFM-GEOMAR)

Russia

RED 10 Evaluation Department of Chemistry

27

4.3.5 Selective and sustainable catalysis

Faculty: Per-Ola Norrby

Background

One of the most challenging tasks facing

humanity is to create a sustainable society. We

must be able to create required products

without depleting natural resources or

damaging the environment. Catalysis can play

a very important part in this process as

catalysts can facilitate and direct chemical

reactions without being consumed. It is

therefore necessary to constantly develop new

catalytic systems that can utilize renewable

resources and produce only a minimum of

waste. We do not yet have the ability to create

a new catalytic system from scratch but, by

coupling catalyst development to detailed

mechanistic studies, we can increase our

knowledge of catalyst behaviour, influencing

future design and improving existing catalysts.

Project description

The catalysis group utilizes a unique

combination of experimental and theoretical

methods to elucidate reaction mechanisms and

improve catalyst performance. The basis for

each investigation is experimental studies of

reaction selectivity and kinetics, from

competition studies and monitoring using

standard chromatographic and spectroscopic

techniques. These types of measurements are

both performed within the group and through

collaboration. Hypotheses based on the

experimental observations are tested using

state of the art computational methods, mostly

DFT with continuum and/or explicit

representation of the solvent, sometimes

augmented by highly correlated ab initio

studies on model systems. There is a strong

and continuous cross-validation between the

two disciplines. Theoretical conclusions are

rapidly tested in the lab, and experimental data

is used both to validate the theoretical methods

and suggest new avenues for modelling. The

combined experimental and computational

expertise in the group allows for an unusually

close interaction between the two fairly diverse

disciplines.

Figure 8: Conformational searching on (η3-allyl)Pd

complexes with the standard Trost Modular Ligand

identified a hydrogen bond donor that can bind to

incoming nucleophiles and thereby rationalize the

observed excellent selectivity in asymmetric

alkylation. [Butts et al., J. Am. Chem.

Soc. 131:9945 (2009)]

Achievements

Norrby has made significant contributions in

several areas, including improvement and

RED 10 Evaluation Department of Chemistry

28

development of catalytic systems, revision of

mechanistic understanding, and models for

prediction of catalytic selectivity. Our

investigations of iron-catalyzed C–N couplings

(in collaboration with the Bolm group in

Aachen) revealed that the real catalyst is a

hyperactive copper species, orders of

magnitude more efficient than previously

reported of similar system [Larsson et al.,

Angew. Chem., Int. Ed. 48:5691 (2009)]. The

corresponding C–C coupling is catalyzed by

iron, but in a rare +I oxidation state [Kleimark

et al., ChemCatChem 1:152 (2009)]. For the

well-established Pd-catalyzed allylic alkylation

using the Trost modular ligand, our recent

investigations have overturned the established

belief and identified a new selectivity model

[Butts et al., JACS 131:9945 (2009)].

Norrby is also very active in developing rapid

and accurate force field models for prediction

of stereo-selectivity in asymmetric catalysis.

For a decade, the in-house Q2MM program has

been the most accurate method known for this

task, as demonstrated by numerous

applications to stereo-selective reactions. The

predictive power has recently been taken to

new levels in collaboration with the Wiest and

Helquist groups at Notre Dame University

[Donoghue et al., JACS 2009, 131, 410

(2009)]. The current model, implemented for

the industrially important asymmetric

hydrogenation, is accurate and rapid enough to

challenge high throughput screening methods

for selection and design of catalysts.

International standing

Norrby is well recognized internationally, with

approximately 350 citations yearly. He is a

frequently requested lecturer, who also

receives many offers of collaboration. The

latter is evidenced by the fact that he has

published with more than 220 co-authors.

Norrby has a rare background mixing

experience of both organic synthesis and

theoretical chemistry, and is a leading

authority on application of quantum chemical

methods to reactions in solution. He is also

internationally recognized as one of the leaders

in development and application of force field

technology for accurate yet rapid calculations

on metal systems.

RED 10 Evaluation Department of Chemistry

29

4.3.6 Colloidal gels: attraction-driven glasses

Faculty: Johan Bergenholtz

Background:

Amorphous solid structures, such as gels, are

often encountered in colloidal and other soft

matter systems. A cursory survey of the

literature on colloids, a field that bridges

chemistry, biology and physics, rapidly

establishes not only the ubiquity of such

structures, but also the apparent lack of

knowledge concerning how to, control, induce

and manipulate them rationally. A decade ago

we discovered that colloidal particle gels may

be described as a new kind of colloidal glass,

which has fuelled optimism towards reaching

new levels in tuning the properties of

disordered materials and in reaching a deeper

understanding of glass and gel transitions.

Project description:

Work on simple, well-characterized model

systems points towards colloidal gels being

driven by short-range attractions among

particles. For sufficiently strong attractions,

effective 'bonds' among particles are created,

which may cause long-range particle motion to

arrest at a gel transition in a similar manner as

at a glass transition, despite being significantly

reversible individually. As this scenario goes

to the root cause of colloidal gelation, it has

created a new avenue of research now pursued

by numerous groups internationally.

Recognizing colloidal gels as attraction-driven

glasses has potential for impact in a wide range

of technologically important fields, including

ceramics and sol-gel processing, colloidal

crystal array fabrication, globular protein

crystallization methodology, and dispersion

rheology. The challenge lies in broaching these

areas.

Figure 9: Phase diagram of hard-sphere particles

with non-adsorbing polymer from Pham et al.,

Science 296:104 (2002). The cage structures of a

repulsion-dominated glass (glass I) are disrupted by

weak attractions, as regulated by added polymer,

liberating particles and allowing for equilibration

into a colloidal crystal. Somewhat stronger

attractions arrest the dynamics through long-lived

‘bonds’ at a reentrant glass transition (glass II).

A stepping-stone in this enterprise is

demonstrating the universal nature of the

phenomenon and bringing our understanding

of colloidal gelation a significant step closer to

encompassing systems of greater complexity.

To this end, the gelling behaviour of a range of

systems such as polymer-grafted spheres and

water glass, colloidal silica dispersions, and

solutions of block copolymers, is currently

under study within the project.

RED 10 Evaluation Department of Chemistry

30

Achievements:

The milestones marking the development of

this project include: i) producing a microscopic

theory of colloidal gel transitions that

potentially gathers a number of seemingly

disparate phenomena, such as aggregation, gel

and glass formation, within the same

interpretative framework; ii) demonstrating

through experiment and computer simulation

that a new, second glass transition triggered by

attractions appears in concentrated sphere

dispersions in agreement with predictions of

the theory; and iii) showing that aqueous

dispersions of polymer-grafted particles are

suitable model systems for studies of glass and

gel transitions.

National and international standing:

The progress of this project has been reported

on in three invited keynote lectures at large

international conferences and in seminars at

well-known academic institutions, such as

Harvard University. The top five, most-cited

papers of the project have collectively received

in excess of 700 citations [Pham et al., Science

296:104 (2002); Bergenholtz & Fuchs, Phys.

Rev. E59:5706 (1999); Bergenholtz et al.,

Langmuir 19:4493 (2003); Bergenholtz et al. J.

Phys. Condens. Matter 12:6575 (2000);

Bergenholtz & Fuchs, J. Phys. Condens.

Matter 11:10171 (1999)].

On the national arena, Bergenholtz received a

prestigious 5-year research fellowship with

The Royal Swedish Academy of Sciences

(KVA) in 2003. He has served four years on

review panels of the Swedish Research

Council, has been co-opted on two occasions

to the Liquids Board of the European Physical

Society, and was one of the key organizers of

the 7th Liquid Matter Conference. He was

awarded a share of the Akzo-Nobel Nordic

Surface Chemistry Prize in 2000. Bergenholtz

is currently detached to AstraZeneca R&D

(16% of a full-time position) as an adjunct

scientist, illustrating how his expertise is also

recognized within industry.

RED 10 Evaluation Department of Chemistry

31

4.3.7 Actions needed to ensure successful development

Although all activities across the Department

would benefit from additional resources, the

resources available to the Department are

limited. To handle issues of strategic

appointments and the use of limited resources,

the Department has formed the Research

Council (Section 4.1.1). Further discussion on

strategic planning and vision of the

Department is described in section 4.4.

The six projects selected to illustrate strong

research activities at the department are at

different stages of development. This in part

determines the mode and characteristics of

actions required to ensure a successful future

development of the Department.

Medicinal Chemistry. The major action taken

to ensure the successful development of this

activity is the recent advertisement of an

Associate Professorship in computational

chemistry associated with the Medicinal

Chemistry group, which should be filled in

2010. This will simultaneously cure the too

large teaching obligation presently experienced

in the group. The Department has planned for

renewal of old equipment (NMR), which is

essential for medicinal chemistry research. The

group attracts external funding from research

agencies (VR, the Wenner-Gren Foundation)

and pharmaceutical industry (AstraZeneca) and

no additional action is immediately required.

Analytical chemistry: methods for single cell

analysis. The actions required are described in

section 4.4

Membrane protein structure and dynamics.

Within Biochemistry, two new faculty (Katona

and Törnroth-Horsefield) have, in effect, been

appointed when the Department accepted that

their Senior Research positions (VR

Rådsforskare), funded by the Swedish

Research Council for six years from 2010, be

placed with us (per year there are less than ten

such positions to share between all fields of

science in all of Sweden). The Faculty of

Science provided extra funding on the

appointment of Neutze in 2006, which soon

runs out. Further, Neutze has a Senior

Research position from the Swedish Research

council (rådsforskare), which runs out next

year. The Department will compensate part of

this, and considering that the biochemistry

group attracts substantial external funding we

expect that the transition will be smooth. Soon

expensive maintenance of equipment will have

to be discussed, but at present no particular

action is needed to ensure the successful

development in this line of research.

Polar marine chemistry is a mature and well

established research direction with a high

degree of national and international

recognition. The scientists have good access to

and experience high success to attract external

funding. The marine environment (Havsmiljö)

is one of eight prioritized areas by the

University, whereby support for infrastructure

RED 10 Evaluation Department of Chemistry

32

is facilitated, e.g. by the Sven Lovén Centre for

marine infrastructure. The continued success in

polar marine chemistry is supported by, but not

dependent on, the availability to perform

research cruises on the Swedish icebreaker

Oden. Further, there is coupling between

marine chemistry and atmospheric chemistry

under the umbrella of reaction and transport

modelling. We have initiated recruitment of a

new professor with focus on chemical

modelling of atmospheric processes, which

will further strengthen the cooperation between

these research directions and thereby also

support a successful development for polar

research in a broader sense. We see no

immediate need for action in the polar marine

chemistry research area.

Selective and sustainable catalysis. In this area

action may be required. Norrby runs an active

group but his start-up funding soon runs out

and other funding must be found. Funding

provided by the Swedish Research Council is

not enough to maintain a research group. For

this line of research, EU-funding is the best

complement and Norrby is just now beginning

to receive such grants. At present we believe

such funding will secure his financial setting.

The Department will this year also review its

overall teaching load and its distribution

among staff as presently there is a risk of too

large assignments, particularly for our teachers

with an organic chemistry profile. Several

researchers within the Department, and Norrby

in particular (related to many external

collaborations and a large teaching

assignment), would be helped by a secretary of

research with expertise in grant applications.

The University has recently advertised such

positions and we expect that this will provide

the help required in this respect. Otherwise the

Department will make its own arrangement for

this purpose. No action is required at present,

but the Department follows the development

and is prepared to act.

Colloidal gels: attraction driven glasses. In

this area some precaution is required. The

unique success of combining state-of-the-art

experimental and theoretical work is attributed

to Bergenholtz himself. The experimental

setting is excellent. Bergenholtz has his own

unique custom-built instruments and he also

shares equipment with other groups in the

Department and at Chalmers. The theoretical

side also provides a rich statistical mechanics

environment. Here the Department needs to

plan for the future as two retirements in this

area are coming up. Further, recruitment of

experimentally inclined doctoral students is

highly competitive. Bergenholtz has so far

been well supported financially both by

platform and other strategic funding from the

Faculty of Science, national research schools

and the Swedish Research Council. Except for

the latter, these ways of funding now cease and

other avenues must be explored, where

European Union networks appear to be a

plausible road. Further, continued and

increased internal collaboration with Ahlberg

and Hassellöv are also ways to pool resources.

RED 10 Evaluation Department of Chemistry

33

4.4 Description of most promising research areas, research directions and Centres

4.4.1 Vision

Chemistry clearly has an important role to play

in addressing several major issues in the world

today including the environment, health care,

energy, materials and food supply. The

Department of Chemistry has two main

products: the students educated to be the new

leaders in the scientific community, and the

new scientific knowledge produced through

research and discovery. Our reputation within

the scientific community and the broader

public is our greatest assets, which we must

constantly strive to strengthen.

Our vision is to raise the profile and esteem of

our research within academia, industry and

society. We feel that it is critically important

that top-notch new scientists and high-quality

new fundamental science are produced in

chemistry to meet the issues of society today

and in the future. To fulfil our vision we need

to use limited resources optimally and this

relies upon three key strategic pillars:

• The single most important aspect is

recruitment and creating conditions such that

newly recruited faculty are given the best

possible conditions for success. We believe

that a leading national position that creates

high international esteem for the Department

can largely be obtained by housing half a

dozen (or more) top researchers. The

Department is certainly heading in this

direction and it may be noted that our three

most recent strategic recruitments (Ewing,

Neutze, Norrby) have all quickly established

successful research groups (Section 4.3).

• Building a respected international reputation

will create a positive spiral, inspiring others in

the Department and helping attract younger

researchers. This requires that experienced and

well-recognized scientists are willing to serve

as role models and mentors. Such mentorship

builds confidence and creates a stimulating

research environment where mutual trust and

social interactions are characteristics.

• Professional leadership is essential for the

department to thrive. In addition to the tools

put in place to achieve leadership across the

Department (Figure 1, Section 4.1.1) it is

crucial for the environment that a culture of

respect and teamwork is pervasive.

Internationally respected researchers cannot be

creative if they are overwhelmed with tasks

outside of research. We recognise that

everybody’s contribution is essential for the

success of the Department, and numerous less

visible roles must be performed with

enthusiasm for the Department to function. We

will constantly review our practices to

maximize time available for research and

teaching to all academic staff, while

minimising other tasks.

4.4.2 Strategic planning

The most important tools available to the

Department are new recruitments, mentoring

of younger scientists, and thoughtful

RED 10 Evaluation Department of Chemistry

34

distribution of duties. In deciding future

research areas we must balance the need to

create new research areas not covered within

the Department by external recruitment,

against the benefits of using resources to

promote existing areas that are particularly

promising or of fundamental importance.

This balance is not always easy to achieve and

the task is not simplified when the principles

employed by the Faculty of Science to

distribute funds to Departments change. For

example, just a few years ago this caused

havoc within the Department of Chemistry and

placed 8 professors in negotiations to leave in

order to cut costs. New policy changes decided

last year again drastically alter the funding

situation, encouraging increasing the number

of tenured academic faculty rather than

improving conditions for faculty already

employed. To counteract negative

consequences of swift changes in faculty

funding models we have sought to maintain a

positive capital of at least 10% of the annual

turn-over.

4.4.3 Recruitment & renewal

In order to establish a new research area the

Department must attract major external

support, which takes time and planning. It is a

goal of our recently established Research

Council to identify such areas. New areas must

be chosen with care so as to strengthen already

existing areas by partial overlap and

collaboration. It is our belief that we may be

able to establish one such new area of research

approximately every five years. A further task

of the Research Council will be to consider

which action to take when professors retire:

whether to renew that field of research or strike

out in a new direction. Professors retire from

the Department roughly once a year, reflecting

that we do have a balanced age structure in the

Department.

Strategic planning is particularly important

given that, in Sweden, mobility after tenure is

low. Thus, to ensure vitality and renewal of

ideas within the Department, we look to recruit

people with an external background like a PhD

degree from other universities already at

research associate level. The Swedish Research

Council funds a number of research associate

positions each year based upon scientific

excellence. Attracting young researchers with

such funding is thus a good basis for recruiting

excellent scientists. A possible drawback is

that, to some extent, this limits the control that

the Department has regarding directions that

the research takes.

Of immediate concern is to make the most of

the potential areas for success that we already

harbour within the Department. We have

several young researchers who could develop

real strength given the right circumstances. We

have a policy to support each assistant

professor (forskarassistent) with a doctoral

student as a start-up grant.

Recruitments and other actions taken by us

influence the department of Chemistry at

Chalmers, and vice versa. In a meeting on May

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3, 2010, between representatives for our own

Department and the Department of Chemistry

at Chalmers, the vice-rector at Chalmers and

our Dean at the Faculty of Science, it was

decided to investigate the possibilities of

forming a joint entity between the two

chemistry departments. In the mean time we

plan to coordinate upcoming recruitments and

jointly plan for renewal of infrastructure. With

coordinated recruitment we can optimize the

situation to get the best result for both parties,

for instance by recruiting complementary

research expertise. In effect this is a way to

pool our resources to the benefit of both

departments.

4.4.4 Promising research

In the following section, four particularly

promising areas of research are highlighted:

dermatochemistry and our newly formed Skin

Research Centre; analytical chemistry,

biochemistry and environmental chemistry.

Dermatochemistry

The Dermatochemistry group is the base for

the Skin Research Centre in Gothenburg,

which was established in December 2009. This

research centre links research at the

Department of Chemistry, Physics, the Faculty

of Medicine and Chalmers University of

Technology. This unique interdisciplinary

setting that we have now established sets an

example and the background to how it was

achieved is worth briefly highlighting.

The story begins with the recruitment of a

professor in medicinal chemistry (Luthman)

with expertise in organic synthesis. This

attracted Professor Ann-Therese Karlberg, who

had training in pharmacy and analytic

chemistry but saw a need for organic synthesis

expertise in her research, to move from

Stockholm to Gothenburg. In 2002 Karlberg

joined the research environment at the

Department of Chemistry. Once she had

established a research group in our Department

her background and earlier position at

Karolinska Institutet meant that it was

relatively easy for her to make connections to

the faculty of medicine in Gothenburg

(Sahlgrenska Akademien). A true collaboration

ensued and was supported by strategic funding

from the Faculty of Science in the form of a

so-called platform, Göteborg Science Centre

for Molecular Skin Research, which started in

2006. In 2008 an international evaluation of

the newly started platform wrote: “Their

achievements are a credit to their country, as

well as the entire world.” This centre is today

one of the major centres in Europe for research

on the interaction between skin and

xenobiotics on a molecular level.

The field of dermatochemistry is new and

internationally unique. The scientific

achievements obtained in this field are world

leading with high impact on research, clinical

diagnosis, and preventive work within industry

and society. It should also be pointed out that

the research performed within the

dermatochemistry group with regard to basic

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chemistry is of highest international class

being world leading in the field of radical

chemistry with focus on reactivity,

identification, and decomposition of terpene

hydroperoxides. Dermatochemistry is therefore

an area that the Department wishes to see

expand. In addition, strength in this field is

vital for the molecular understanding of skin

allergy and the work in the Skin Research

Centre in Gothenburg. Here we, however,

have a number of obstacles to tackle and

strategic planning is vital as Professor Karlberg

retires within the next two to four years. It is

thus essential to replace her and the work to do

this has been initiated.

As part of Karlberg´s move to Gothenburg, the

government arranged for a yearly transfer, for

indefinite time, of a major sum of money to the

Faculty of Science at the University of

Gothenburg. This money has been funnelled to

the Department of Chemistry, where it has

been set aside for Karlberg´s research activities

in dermatochemistry. Late last year the Faculty

of Science, however, decided to phase out this

funding completely over a period of three

years and we need to replace those funds. To

maintain the strong research environment, the

Dean of the Faculty of Science recently agreed

to invest strategic money in recruiting a

replacement for Karlberg.

Analytical chemistry

Analytical chemistry with focus on single cell

analyses is a field that we expect to see grow in

the Department. We have just recruited an

internationally highly esteemed professor

(Andrew Ewing) in this area (see 4.3.2). He

has been with us as a prestigious Marie Curie

Chair guest professor (EU supported with 7

MSEK) and will soon become a regular faculty

member. This new line of research brings us

not only to the forefront nationally, but brings

also international recognition at the highest

level.

To set up a new research direction of this kind

requires substantial investment in

infrastructure and personnel. The Department

does not have all the necessary funds directly

available and primarily attempts to solve this

by supporting our new professor in finding the

ways through the funding systems within the

University, nationally and on the European

level. Through applications to the Wallenberg

foundation, European Research Council and

strategic support from the Faculty of Science,

we expect that within a year, excellent

conditions for the research in bioanalytical

chemistry will be established.

Our planning for this field’s development in

Gothenburg also involves monitoring the

situation with regard to young promising

researchers in the area and to be prepared to

expand in this direction. Further, a position in

analytical chemistry is advertised at Chalmers,

which can increase opportunities for

collaborations in research and instrumentation.

Biochemistry

Biochemistry, with focus on structure and

function of membrane proteins, is another

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example where we expect that the Department

will contribute substantially and gain a rapidly

growing reputation (see 4.3.3). This research is

represented by a steadily growing group of

young researchers attracted to us through a

recently recruited professor of biochemistry

(Richard Neutze, appointed 2006). As

mentioned in 4.3.3 and 4.3.7, two young

researchers have just received Senior Research

positions from the Swedish Research Council

(rådsforskare) and another one just obtained a

position as assistant professor

(forskarassistent), again from the Swedish

Research Council. These developments lay

solid foundations for an even stronger research

environment long into the future, winning new

respect and recognition not only for the

Department of Chemistry, but also for the

Faculty of Science and the University of

Gothenburg. At present we see no obstacles.

Environmental chemistry

Environmental chemistry is a most promising

area where we expect to see a fast

development. The Environmental nanoscience

group has just received a major grant (25

MSEK) specifically due to, but also aimed at,

the creation of a strong research environment

with collaboration within and between

faculties. This combined with intense internal

collaborations (Hassellöv, Ahlberg,

Bergenholtz, Abbas, Nordholm) is highly

promising.

The environmental nanoscience group has its

roots in marine chemistry and by increasing

their ties to the atmospheric science group we

can build a very strong environmental

chemistry constellation. With this in mind a

professor will be recruited with focus on

secondary aerosol or chemical transport

modelling, which will strengthen both marine

and atmospheric chemistry. This initiative is

supported by governmental strategic money

obtained by the Department through MERGE

(ModElling the Regional and Global Earth

system) and additional funding from the vice-

chancellor.

4.4.5 Future planning

It is a clear policy of the Department to favour

external recruitment and to pick areas

overlapping with those where we currently

have strength. Recruitments will only be

completed if we are convinced that the right

person has been found, otherwise the

recruitment will be aborted and reconsidered.

One task of the Research Council (Figure 1) is

to identify future areas of research and good

candidates when recruiting. A recent

proposition by the government opens the way

for more flexibility in the academic

recruitment process. If this happens the

Departmental motto will be “we never have

empty positions, but always look for good

people”, meaning that we are prepared to

recruit when good opportunities arise in the

right areas. Two examples follow.

Classical mechanics is well developed and fast

on computers, but it is inadequate in the

quantum regime. Harsh restrictions regarding

RED 10 Evaluation Department of Chemistry

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what quantum dynamics can achieve arise due

to computational complexity, restricting

progress in this area. The way forward may be

found in the interface between these areas.

Within this area there are excellent non-

tenured young scientists within the

Department. The Department has therefore

acted to establish a Senior Research position

(rådsforskare) at the Swedish Research

Council covering this area. In addition a Senior

lectureship will shortly be advertised in

Physical Chemistry, which would invite both

experimentally and theoretically inclined

applicants although the details are to be

decided.

Another example of how we work to ensure

that our best young researchers can remain and

develop in Gothenburg concerns the research

area halogen bonding in solution. This field

bridges our already established research in

organic chemistry and medicinal chemistry. In

this area we have a non-tenured young

scientist, Mate Erdelyi, on a research associate

position from the Swedish Research Council,

who has applied for a highly prestigious ERC

grant, which the Department supports

economically to enhance the chances for great

dividends. Considering that the applicant has

made the short-list, the Department intends to

act further if required to promote the future of

Mate Erdelyi within the Department.

Similarly we will consider other areas where

we can expect excellent applicants and

proactively work to establish externally funded

positions in such areas and select the persons

on scientific excellence. If external funding is

not obtained, the Department intends to

consider if it sometimes would be possible and

worthwhile to establish similar conditions as

for rådsforskare but with internal money.

4.4.6 General remarks

It is obvious that if we are to successfully carry

out our strategies, we depend on obtaining

substantial external support. However, this can

often be facilitated with a small amount of seed

money. Therefore, an economy in balance is a

prerequisite. An economy out of balance is a

weakness to any Department as it often means

missed opportunities and unnecessarily harsh

measures to cure the problem.

As mentioned above, it is a policy of the

Department to have a balanced capital

corresponding to 10% of the yearly turnover.

We would in fact like to have the possibility to

temporarily build up substantially larger

capital to allow us to act quickly when there

are opportunities to grasp and counteract

fluctuations in external funding, or if swift

changes in funding from the Faculty of Science

or external grants occur. As part of our

strategic planning we there act to confer these

ideas to higher levels within the University and

to move more of the resources out to

Department level, which should be of a size

that strategic decisions can be made at

Departmental level and thus not have to be

slowed down by the need to act through the

higher levels within the University.

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4.5 Description of Departmental strategy for societal influence and interaction

The most obvious strategy of the Department

for societal influence and interaction is the

formation of our Innovation Council (IC) in

January 2010. Particular objectives of the IC

are to initiate and coordinate our efforts for

societal influence and interaction. To secure

that these objectives develop in the desired

direction, in appropriate collaboration with

stakeholders, so that feedback is given and

explored, the chairs of the Research, Education

and Innovation councils meet weekly. The IC

has ten members who together represent the

Department of Chemistry

(teachers/researchers, PhD students and

undergraduates), Upper secondary school

(senior high school), industry and also

Universeum, which is the prime hands-on

science “museum” in Gothenburg.

To reach its objectives, tasks for the IC include

visualizing and popularizing the Department,

provision of further education for

schoolteachers and coordinating contacts with

industry, which in the end also should improve

recruitment of students to our courses. Within

the IC, or tightly connected to it, there are

special representatives for the contacts with

school and with alumni (as well as for

internationalization issues). The IC is our

contact point for the International Year of

Chemistry, IYC 2011

(http://www.chemistry2011.org/), the

interaction between teachers and industry in

MATENA (http://www.matena.se/), the

Gothenburg Science festival and interactions

with students at senior high school. The IC

organized and hosted the 2010 European

Union Science Olympiad. Many of the

activities mentioned have been going on

successfully for a long time already, often as

spontaneous and random initiatives from

individual enthusiastic teachers. The IC brings

structure, visibility and increased effectiveness

to these efforts.

The Department encourages collaboration with

industry in research fields of interest for both

parts. Researchers from the Department

collaborate with industry by 5 joint industrial

PhD projects (Astra Zeneca, Astra Tech and

EKA Chemicals), and by working part time in

the industry (Astra Zeneca and Astra Tech).

The latter activity reciprocates the important

participation of industrial researchers, as

adjunct professors, in teaching and research in

the Department.

The number of adjunct professors at the

Department is presently four and it is our

intention to increase this number. Their

participation in PhD supervision and in

undergraduate teaching provides close contact

with presumptive employers.

The contribution of industry to the Department

activities has long been acknowledged by

having two research-based industries

represented on the board. In this way we get

feedback on many issues, like what qualities

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industry hopes to find in our graduates and

PhD students.

Other important out-reach activities aim to

visualize the Department and to increase

participation on the web and interaction with

media. Examples include the Arctis blogg,

which is maintained by our researchers who

presently are in the Arctic, and reporting on the

Departments participation in the

Environmental meeting in Copenhagen 2009.

For the long-term sustainability of Chemistry

as a subject it is essential that children have

good experience of science in school. A major

grant (12 MSEK) from the Wallenberg

Foundation allows Professor Nordholm to

enhance the interaction between university and

senior high school teachers in chemistry

(Kemilektorslänken, “The Chemistry lecturer

link”) under the auspices of the Royal

Academy of Sciences through the National

committee for chemistry. The main idea is to

allow lecturers at senior high school to use half

of their time for interaction with university and

industry.

A final strategy is to encourage faculty

members to enroll in particularly important

assignments that have large impact on society.

As an example, xenobiotics causing skin

allergy affects 20% of the European

population. The dermatochemistry group are

world leading in this research area and they are

enrolled scientific experts in the EU legislative

work. Professor Karlberg regularly interacts

with clinicians, industry researchers, people

involved in regulatory work, and patient

organisations. Another example is Martin

Hassellövs expert opinions to several

government reports on Nanotechnology and

risk.

One problem that the Department experiences

with its out-reach activities concerns the close

relation to Chalmers. Most of the Department

is physically located at campus Johanneberg,

which is mainly inhabited by Chalmers. This

means that visitors by mistake often credit our

activities and their effects to Chalmers.

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4.6 List of most important publications

Publications are listed according to year of

publication. Department employee in bold.

1. Larsson P.-F., Correa A., Carril M.,

Norrby P-O, and Bolm C. (2009) Copper-

Catalyzed Cross-Couplings with Part-per-

Million Catalyst Loadings. Angew. Chem. Int.

Ed., 48: 5691-5693. Times cited: 11.

http://dx.doi.org/10.1002/anie.200902236

Motivation: A recent example of a

collaborative mechanistic elucidation and

reaction development, with identification of a

hyper-active catalyst for the classical Ullman

reaction.

2. Lennartson, S. Olsson, J. Sundberg, M.

Håkansson (2009) A Different Approach to

Enantioselective Organic Synthesis: Absolute

Asymmetric Synthesis of Organometallic

Reagents. Angew. Chem. Int. Ed. 48: 3137.

Times cited: 7.

http://dx.doi.org/10.1002/anie.200806222

Motivation: This article describes proof-of-

concept for a new approach to asymmetric

synthesis. Highlighted in Synfacts 7 (2009)

761.

3. Törnroth-Horsefield S., Wang Y., Hedfalk

K., Johansson U., Karlsson M., Tajkhorshid E.,

Neutze R., Kjellbom P. (2006) Structural

mechanism of plant aquaporin gating, Nature

439: 688-94. Times cited: 126.

DOI: 10.1038/nature04316.

Motivation: This presented the X-ray structure

of both the open and closed conformation of a

plant plasma-membrane aquaporin. This was

important because it revealed the mechanism

of water regulation in plants, which underlies

plant physiology.

4. Ostrowski, S.G., VanBell, C.T., Winograd

N., Ewing A.G. (2004) Mass Spectrometric

Imaging of Highly Curved Membranes During

Tetrahymena Mating, Science, 305: 71-73.

Times cited: 110.

www.sciencemag.org/cgi/reprint/305/5680/71.

pdf.

Motivation: This was the first use of mass

spectrometry imaging at the cellular level to go

beyond proof of principle and show new

chemical information, an important structure-

function relationship in the lipid membrane.

Moreover it gave credibility to the idea that

lipid domains are important in cell function.

5. Vabeno J, Lejon T, Nielsen CU, Steffansen

B, Chen WQ, Hui OY, Borchardt RT,

Luthman K. (2004) Phe-Gly

dipeptidomimetics designed for the di-

/tripeptide transporters PEPT1 and PEPT2:

Synthesis and biological investigations.

Journal of Medicinal Chemistry. 47: 1060-

1069. Times Cited: 29.

DOI: 10.1021/jm031022+

Motivation: This is the first paper in a series

describing how dipeptidomimetics can be used

to target important transport proteins in the

intestinal epithelium. These mimetics have

RED 10 Evaluation Department of Chemistry

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later been shown to be useful as carriers of

model drugs.

6. Poulsen J. A., Nyman G. and Rossky P. Y.

(2003) Practical evaluation of condensed phase

quantum correlation functions: A Feynman-

Kleinert variational linearized path integral

method, J. Chem. Phys. 119: 12179. Times

cited: 84.

DOI: 10.1063/1.1626631

Motivation: The problem of how to handle

nuclear quantum effects when modeling

liquids, by Monte Carlo (MC) or MD, is an

ever-occurring problem which computer

simulators are faced with. The paper both

motivates, derives (in the simplest way) and

implements an approximate Wigner phase-

space method which is able to include nuclear

quantum effects in MD/MC. This step forward

is important and the paper is expected to be

cited in future texts/books on computer

simulation of liquids.

7. Bergenholtz J & Fuchs M. (1999)

Nonergodicity transitions in colloidal

suspensions with attractive interactions Phys.

Rev. 59: 5706-5715. Times cited: 227.

ISSN: 1063-651X

Motivation: A low-temperature extension of

the glass transition is proposed as the cause of

gel transitions in colloidal sphere suspensions,

providing a new unifying scenario for gel

formation. The suggestion is backed up by

mode coupling theory, which is shown to agree

qualitatively with experiments.

8. Rudels, B., L.G. Anderson, and E.P. Jones

(1996) Formation and evolution of the surface

mixed layer and halocline of the Arctic Ocean,

J. Geophys. Res. 101: 8807-8821. Times cited:

97.

http://www.agu.org/journals/jc/

Motivation: This contribution was one of the

first to describe formation and evolution of the

upper waters of the Arctic Ocean. This

knowledge is fundamental to the general

understanding of the ocean’s role for the

acceleration of the Arctic Ocean sea ice

coverage loss during later years.

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4.7 List of publications which best represent innovative research activities

Publications are listed according to year of

publication. Department employee in bold.

1. Zhang B., Adams K., Luber S., Heien M.,

Ewing A. G. (2008) Spatially and Temporally

Resolved Single-Cell Exocytosis with

Individually-Addressable Carbon

Microelectrode-Arrays, Anal. Chem. 80: 1394-

1400. Times cited: 12.

pubs.acs.org/doi/pdf/10.1021/ac702409s.

Motivation: First example of imaging dynamic

events across a cell surface with

electrochemistry. Completely new format for

imaging micrometer dynamics at single cells.

This line of research constitutes a significant

renewal of research in the Department.

2. Dahlen A., Hilmersson G. (2002)

Instantaneous SmI2-H2O-mediated reduction of

dialkyl ketones induced by amines in THF.

Tetrahedron Lett. 43: 7197-7200. Times cited:

28.

ISSN: 0040-4039

Motivation: This is the first publication

revealing a rate enhancement of more than 100

000 times for the SmI2 mediated reduction of

ketones in the presence of water and an amine.

This new reagent has appeared in a number of

publications.

3. Orekhov VY, Ibraghimov IV, Billeter M.

(2001) MUNIN: a new approach to multi-

dimensional NMR spectra interpretation. J.

Biomol. NMR. 20: 49-60. Times cited: 64.

ISSN: 0925-2738.

Motivation: The publication introduced a novel

approach, ‘multi-way decomposition’, for the

analysis of a wide variety of NMR

experiments, covering e.g. non-uniform

sampling data, experiments for 3D structure

and drug discovery applications. Although this

article concerns a narrow field (and audience),

it has been cited a total of 64 times of which 11

citations are from 2009.

4. Hassellöv M., Lyvén B., Haraldsson C.

and Sirinawin W. (1999) Determination of

Continuous Size and Trace Element

Distribution of Colloidal Material in Natural

Water by On-line Coupling of Flow Field-

Flow Fractionation with ICP-MS. Anal. Chem.

71: 3497-3502. Times cited: 66.

ISSN: 0003-2700.

Motivation: This study represents development

of a novel analytical method to analyse the

chemical composition of colloids. This work

led to the development of the Department’s

nanochemistry group and its following work

allowed 4 PhD theses to be written in our

Department (and at least 10 internationally) on

various aspects of this method and

applications. Today we are optimizing this

method for studies on manufactured

nanoparticles in the environment.

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4.8 Publications and/or other important documentation showing considerable influence on social life (Government white-papers etc)

Publications are listed according to year of

publication. Department employee in bold.

1. Tiede K, Hassellöv M, Breitbarth E,

Chaudhry Q, Boxall ABA. (2009)

Considerations for environmental fate and

ecotoxicity testing to support environmental

risk assessments for engineered nanoparticles.

J. Chromatography 1216: 503-509. Times

cited: 8.

DOI: 10.1016/j.chroma.2008.09.008

Motivation: This paper critically discusses and

gives recommendations on both theoretical and

experimental aspects of environmental risk

assessment of manufactured nanomaterials. It

was cited with a resume in Science for

Environment Policy, the European

Commission's environmental news service for

10,000 policy makers. Therefore, this paper

has potentially influenced the development of

EU environmental legislation and

management.

2. Anderson LG, Jutterström S,

Hjalmarsson S, Wåhlström I, Semiletov IP.

(2009). Out-gassing of CO2 from Siberian

Shelf Seas by terrestrial organic matter

decomposition, Geophys. Res. Lett. 36:

L20601. Times cited: 0.

DOI:10.1029/2009GL040046

Motivation: In this publication we show for the

first time how terrestrial organic matter decays

in the marine environment and results in a

significant out-gassing of CO2 to the

atmosphere. This contribution adds new and

valuable information on climate change

feedback that is one of society’s greatest

challenges for the future.

3. Hak CS, Hallquist M, Ljungström E,

Svane M, Pettersson JBC (2009) A new

approach to in-situ determination of roadside

particle emission factors of individual vehicles

under conventional driving conditions.

Atmospheric Environment: 43: 2481-2488.

Times cited: 0.

DOI: 10.1016/j.atmosenv.2009.01.041

Motivation: The methodology described in this

paper opens an entirely new door to

measurement of individual, size resolved

emission factors of nano-particles for single

vehicle particle emission. This information is

necessary for successful numerical modelling

of vehicle emissions. It has a potential to be

used to monitor and identify vehicles that need

maintenance to reduce nano-particle emissions.

4. Matura M, Skold M, Borje A, Andersen

KE, Bruze M, Frosch P, Goossens A, Johansen

JD, Svedman C, White IR, Karlberg A.-T.

(2005) Selected oxidized fragrance terpenes

are common contact allergens. Contact

Dermatitis. 52: 320-328. Times cited: 39.

ISSN: 0105-1873

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Motivation: This paper confirms the clinical

relevance of our experimental findings

regarding increased allergenic effect from

common consumer products due to

autoxidation. REACH regulation is based on

our experimental results. Work is in progress

to include the data in the proposal from the

Scientific Committee on Consumer Safety to

the DG Enterprise in Brussels (2009) with

regard to regulation of the labelling of

consumer products.

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4.9 Publications from 2010 or formally accepted for publication, of special importance

Publications are listed according to

alphabetical order of the first author.

Department employee in bold.

1. Johansson SGH, Emilsson K, Grotli M,

Borje A. (2010). Structural Influence on

Radical Formation and Sensitizing Capacity of

Alkylic Limonene Hydroperoxide Analogues

in Allergic Contact Dermatitis. Chemical

research in toxicology. 23: 677–688.

DOI: 10.1021/tx900433n

Motivation: This article provides a unique in

depth study showing that the structure of

hydroperoxides strongly effects the

mechanisms of the formation of immunogenic

complexes with skin proteins but has little

effect on the overall sensitizing potency of the

hydroperoxides.

2. Kurzcy M. E., Piehowski P. D., Van Bell C.

T., Heien M. L., Winograd N., Ewing A. G.

(2010) Mass Spectrometry Imaging of Mating

Tetrahymena: Changes in Cell Morphology

Regulate Lipid Domain Formation. Proc. Natl.

Acad. Sci. USA, 107: 2751-2756.

DOI:10.1072/pnas.0908101107.

Motivation: This paper provides definitive

evidence that lipid membrane structure is

defined by function and not predetermined. It

also combines mass spectrometry imaging with

specific biological protocols for single cell

organisms.

3. Thomas R.D., Zhaunerchyk V., Hellberg F.,

Ehlerding A., Geppert W.D., Bahati E.,

Bannister M.E., Fogle M.R., Vane C.R.,

Petrignani A., Andersson P.U., Öjekull J.,

Pettersson J.B.C., van der Zande W. J.,

Larsson M. (2010) Hot water from cold. The

dissociative recombination of water cluster

ions. J. Phys. Chem. A

DOI: 10.1021/jp9095979. Web page:

http://pubs.acs.org/doi/abs/10.1021/jp9095979.

Motivation: Shows that excited molecules are

efficiently produced in the dissociative

recombination of the Zundel cation;

implications for plasmas and energy transport

in biomolecules. Cooperation with Oak Ridge

National Laboratory, Stockholm University,

and FOM Instituut AMOLF.

4. Wöhri A.B., Katona G., Johansson L.C.,

Fritz E., Malmerberg E., Andersson M.,

Vincent J., Eklund M., Cammarata M., Wulff

M., Davidsson J., Groenhof G., Neutze R.

(2010) Laue diffraction snapshots reveal light

induced structural changes in a photosynthetic

reaction center. Science, 328: 630-633.

Motivation: This was the first example of the

method of time-resolved Laue diffraction

being successfully applied to study

conformational changes occurring at room

temperature in real-time within an integral

membrane protein complex. We observed a

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reproducible movement of a conserved

tyrosine residue which was interpreted, using

molecular dynamics simulations, as arising

from a change in protonation state of this

residue.

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4.10 Other achievements of innovative significance (introduction of new fields etc.)

The successive introduction to the Department

of new research directions (e.g. Atmospheric

science, Dermatochemistry, Environmental

Nanochemistry, Marine Chemistry and

Medicinal chemistry) or research fields within

existing research directions (colloidal gels in

Physical chemistry and single cell analysis in

Analytical Chemistry) has been described in

sections 4.1, 4.3. and 4.4.

In addition to these developments we here

highlight samarium mediated organic

synthesis, absolute asymmetric synthesis, the

use of autonomous benthic landers for in situ

seafloor studies and three patents.

Samarium mediated organic synthesis

Hilmersson and his group have made ground-

breaking studies in the area of samarium

mediated organic synthesis. The main

discovery is that additions of water and an

amine to samarium diiodide result in a unique

and very powerful reducing agent that

mediates instantaneous reduction of various

functional groups. These findings have

received significant attention in the organic

chemical community, where several articles

have been highlighted for their usefulness and

innovative character (two recent examples: T.

Ankner, G. Hilmersson, Tetrahedron, 2009,

65, 10856; T. Ankner, G. Hilmersson, Org

Lett, 2009, 11, 503).

Absolute asymmetric synthesis

Reactions that create enantiomerically enriched

products from solely achiral or racemic

precursors constitute examples of absolute

asymmetric synthesis (AAS). A new approach

developed by Håkansson and his group uses

AAS of generic organometallic reagents

yielding enantiopure crystal batches (M.

Vestergren, B. Gustafsson, Ö. Davidsson, M.

Håkansson, Angew. Chem., Int. Ed., 2000, 39,

3435; M. Vestergren, J. Eriksson, M.

Håkansson, Chem. Eur. J., 2003, 9, 4678; A.

Lennartson, S. Olsson, J. Sundberg, M.

Håkansson, Angew. Chem., Int. Ed., 2009, 48,

3137; A. Lennartson, M. Håkansson, Angew.

Chem., Int. Ed., 2009, 48, 5869), which can be

used in inter-crystal reactions with many

different substrates to give a wide range of

organic products with potentially 100% ee

(enantiomeric excess) and yield. This AAS

approach has several advantages over

traditional methods for asymmetric synthesis:

(i) equal access to both enantiomers; (ii)

solvent-free reactions with new selectivity

attainable; (iii) easy work- and scale-up; (iv)

no need for noble metals or enantiopure

ligands; (v) good atom economy.

Autonomous benthic landers for seafloor

studies in situ

Benthic landers are observational platforms

that can be deployed on the seabed or benthic

zone to record physical, chemical or biological

activity. The landers are autonomous and have

deployment durations from a few days to

several weeks. Landers are custom-made and

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have been produced in a variety of shapes and

sizes depending upon the instrumentation they

carry, and are typically capable of working at

any ocean depth. At the Department, Professor

Hall and his group have in close collaboration

with specialized technicians, designed and

constructed two autonomous benthic landers

for in-situ multi-disciplinary investigations on

the sea-floor (A. Tengberg, H. Ståhl, V.

Muller, U. Arning, H. Andersson, POJ Hall;

Progress in Oceanography 60, 1 (2004)). One

of them is designed for full ocean depth (6000

m). The Department is the only one in Sweden,

and one of the premier ones in Europe,

operating benthic landers.

Patent applications (2004-2009):

Several discoveries of particular innovative

characteristics are covered by existing and

pending patents. Three examples are:

1. Amines and Related Compounds as UII-

modulating Compounds and Their

Preparation, Pharmaceutical Compositions,

Structure-activity Relationship and Use in the

Treatment of Diseases. K. Luthman and F.

Lehmann PCT Int. Appl. (2006), 103 pp, WO

2006135694

2. UII-modulating compounds and their use.

K. Luthman and F. Lehmann PCT Int. Appl.

(2008), 104 pp, WO 2008057543

These two patents concern the synthesis and

use of a large number of novel non-peptidic

urotensin II receptor agonists with applications

in treatment of many different disorders, e.g.

cardiovascular diseases, diabetes, and kidney

diseases. Both patents include some very

active compounds (EC50-values in the low

nanomolar range) and interesting

stereochemical differences are also revealed.

3. New pyrazolopyrimidine inhibitors for

kinases, synthesis and characterization, M.

Klein, M. Morillas, A. Vendrell, P. Dinér, L.

Brive, F. Posas, and M. Grøtli Application

number: 09382085.0-2117

This patent application concerns development

of a new class of kinase inhibitors useful for

studying signal transduction in model systems

and relies on genetics to specify the target of a

small molecule, ensuring that only the intended

protein is targeted by the small molecule we

synthesize.

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4.11 Prizes and awards

Elected fellowships in societies such as the

Royal Swedish Academy of Science (Leif

Andersson, Sture Nordholm), Royal Society of

Chemistry in Britain (FRSC, Andrew Ewing),

the American Association for the

Advancement of Science (Andrew Ewing),

Royal Society of Arts and Sciences in

Gothenburg (Elisabet Ahlberg, Leif

Andersson, Kristina Luthman, Sture

Nordholm) are listed elsewhere.

Some other fellowships are deemed to be the

same as an award and listed.

1. A-T Karlberg (1997). Swedish Medical

Association's Elis och Ivar Janzon prize for

in-depth and clinically important studies on

skin sensitizing compounds in colophony and

the relationship between the allergenicity of

chemicals with relation to their molecular

structure. This prize is awarded to an

outstanding researcher in the field of

experimental dermatology once a year by a

selection procedure performed by the Swedish

Medical Association. You can not apply

yourself. The prize was handed out by the

Minister of Education, Margot Wallström in a

special ceremony. The prize is tax free and

personal to be used without obligations. Prize

sum: 87 000 SEK.

2. K. Luthman (1997). The Ebert Prize from

The American Pharmaceutical Association.

Established in 1873, the Ebert Prize is the

oldest pharmacy award in the United States.

The award, administered by the APhA

Academy of Pharmaceutical Research and

Science, consists of a silver medallion bearing

the likeness of Albert Ethelbert Ebert, former

APhA president. (APhA = The American

Pharmacists Association).

3. A. Ewing (1999). The John Simon

Guggenheim Memorial Foundation

Fellowship. This is a fellowship that pays full

salary and costs to travel to another laboratory

for up to a year to learn/carry out new projects.

These are American grants that have been

awarded annually since 1925 by the John

Simon Guggenheim Memorial Foundation to

those "who have demonstrated exceptional

capacity for productive scholarship or

exceptional creative ability in the arts”. The

Foundation receives between 3,500 and 4,000

applications each year and approximately 220

Fellowships are awarded each year.

4. J. Bergenholtz (2000). Akzo-Nobel Nordic

Surface Chemistry Prize for successful

research in the area of fundamental studies of

colloidal suspensions (shared with H. Edlund).

The Akzo-Nobel Nordic Surface Chemistry

Prize is awarded annually (since 1984) for

successful research by a young researcher in

the area of Surface and Colloidal Chemistry in

the Nordic countries. It includes a check for

SEK 25 000 (it was shared, otherwise it is

twice that).

5. L. Anderson (2000). King Carl Gustaf´s

Environmental Grant for the study of the

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Carbon Cycle in Polar Seas. This grant is given

as a stipend, at that time 75 000 SEK, based on

nomination and not on application by the

recipient.

6. J. Bergenholtz (2003). Research Fellowship

from the The Royal Swedish Academy of

Sciences (KVA). This prestigious fellowship

covers the cost of salary for 5 years of research

and was awarded in strong national

competition at a pivotal point in the careers of

promising younger researchers. This was the

first time the fellowship was placed at GU.

7. M. Grøtli (2004). The AstraZeneca Science

Ladder Award to support a promising

scientist in Sweden at the beginning of his/her

career. Cash prize of 140 000 SEK.

8. R. Neutze (2005). Research Fellowship

from the The Royal Swedish Academy of

Sciences (KVA). This prestigious fellowship

covers the cost of salary for 5 years of research

and was awarded in strong national

competition at a pivotal point in the careers of

promising younger researchers.

9. A. Dahlén (2005). Prize for best doctoral

thesis in Natural Science in Sweden.

Supervisor: Göran Hilmersson. Title of thesis:

A Novel and Powerful Lanthaninde(II)

reagents – Synthetic Advances and

Mechanistic Considerations

10. A. Ewing (2006). American Chemical

Society Analytical Division Award for

Chemical Instrumentation. This award is for

achievements in advancing the field of

chemical instrumentation and is arguably the

largest award given by the Analytical Division

of the ACS each year. The award comes with a

USD 4,000 cash prize.

11. R. Kjellander (2007) The Norblad-

Ekstrand medal awarded by the Swedish

Chemical Society. The medal was awarded for

Kjellander´s fundamental contributions to the

theoretical description of inhomogeneous

electrolyte solutions

(http://www2.chem.gu.se/~rkj/chemsoc/medalj

er_2007.htm).

12. R. Neutze (2010). Faculty of Science

Research Award 2010. Cash prize of 250 000

SEK awarded by the Faculty of Science to the

best research performance for younger faculty

within the Faculty of Science.

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4.12 Links to additional relevant information

Additional information, which links to both the

homepages and researcherid.com-pages of

each faculty member, has been provided at:

http://www.chem.gu.se/RED10