Engineering Silver Nanoparticle Impregnated Activated Carbon for Water Purification

A research proposal submitted to Science and Engineering Research Councilby

Rajdip BandyopadhyayaDepartment of Chemical Engineering

Indian Institute of Technology BombayPowai, Mumbai 400076

GOVERNMENT OF INDIAMINISTRY OF SCIENCE AND TECHNOLOGY

DEPARTMENT OF SCIENCE AND TECHNOLOGYTECHNOLOGY BHAVAN, NEW MEHRAULI ROAD

NEW DELHI - 110 016

December 2011

FORMATS FOR SUBMISSION OF PROJECTS(To be filled by applicant)

(Sections 101 to 192 to be on separate sheet(s))

101. Project Title: Engineering Silver Nanoparticle Impregnated Activated Carbon for Water Purification

102. Broad Subject: Engineering Sciences

103. Sub Area: Chemical Engineering

104. Duration in months: 36 months

105. Total cost: Rs. 49,44,000/- + Rs. 9,88,800 (20% overhead) = Rs. 59,32,800/-

106. FE Component: 47,774 US$ and 3,257 Euro 107. Project Category: Basic Research

111. Principal Investigator: Rajdip Bandyopadhyaya112. Designation: Associate Professor113. Department: Chemical engineering114. Institute Name: Indian Institute of Technology Bombay115. Address: Chemical Engineering Dept. Indian Institute of Technology Bombay Powai, Mumbai 400076

116. Date of Birth: 24-th November, 1969 117. Telephone: (022) 2576 7209 Fax: (022) 2572 6895 Email: rajdip@che.iitb.ac.in, rajdip_ba@yahoo.com

118. Co-Investigator: K. V. Venkatesh119. Designation: Professor120. Department: Chemical engineering121. Institute Name: Indian Institute of Technology Bombay 122. Address: Chemical Engineering Dept. Indian Institute of Technology Bombay Powai, Mumbai 400 076

123. Date of Birth: 7-th June, 1967 124. Telephone: (022) 2576 7223 Fax: (022) 2572 6895 Email: venks@iitb.ac.in

Registration No.: (to be filled by DST)

Project Title:………………………………………………..

Principal Investigator……………………………….. Institution i)……………………ii)…………………iii)……………………………

191. Project summary Removal of microorganisms from drinking water to obtain potable water is a critical requirement in various societies across the world, and particularly in India. Activated carbon (AC) has been the adsorbent of choice for removal of colour, odour and other impurities from water due to its extremely high specific surface area. However, carbon on its own does not remove or kill microorganisms. On the other hand, silver (Ag) is known to possess excellent antimicrobial properties and almost no toxic effect for humans. We therefore want to investigate the efficacy of silver embedded activated carbon (Ag-AC) as a composite material for disinfection and purification of water. The proposed project would look at both bulk solution and structured templates, for synthesis of nanoparticles of controlled size, shape and composition. Therefore, it would address the very important mechanism of assembly (nucleation and growth of clusters and molecules) and interactions (particle growth by diffusion and reaction) at nano and mesoscopic length scales. The second aspect that will be explored is differential functionalization of a porous carbon surface, so as to make some regions of the material more interactive towards metal deposition. This will help us engineer a more favourable biotic-abiotic interaction for removal of microorganisms in water, such as, Escherichia Coli, Bacillus Subtilis, fungal systems etc. The insight gained via combined experimental and modeling work will help identify optimum synthesis and impregnation techniques for making Ag-AC composites to achieve the best antibacterial properties in water treatment.

192. Key words (maximum 6): Water purification, activated carbon, nanoparticle, silver, Impregnation, antibacterial property

200. Technical details210. Introduction 211. Origin of the proposal

Removal of microorganisms from drinking water to obtain potable water is a critical requirement in various societies across the world, and particularly in India. Activated carbon (AC) has been the adsorbent of choice for removal of colour, odour and other impurities from water. This is due to the extremely high specific surface area (in the range of 1000 – 1500 m2/g) of AC, owing to the presence of a large number of pores in the granules of AC (Figs. 1a and 1b),. However, carbon on its own does not remove or kill microorganisms. On the other hand, silver (Ag) is known to possess excellent antimicrobial properties and almost no toxic effect for humans. We therefore want to investigate the efficacy of silver embedded activated carbon (Ag-AC) as a composite material for disinfection and purification of water.

Presently, AC (without Ag) is commercially employed as a cylindrical filter-bed (in the form of a replaceable filter-candle in domestic or other water purification systems), consisting of millimeter or few hundreds of micrometer sized individual porous granules of cabon (Fig. 1a). The carbon granules are bonded with a polymeric adhesive to form the filter-bed. The intraparticle pores in each of the granules form a randomly connected network of pores. Diameter of this porous-channel network typically ranges in the order of a few micrometers down to nanometers (Figs. 1b – 1d). Thus, there are several length scales starting from the larger individual granules to the very small intraparticle porous network, giving rise to a very high specific surface area for adsorption and physicochemical purification of water.

However, in order to impart antimicrobial properties to such a module, it is necessary to establish the maximum possible contact area between Ag with any microorganisms present in the water flowing through the filter-bed. We expect this to be achievable, if Ag is embedded as very small nanoparticles - either on the external surface of the granules of AC, or inside the intraparticle pores of AC (Fig. 1d). Morphology and location of Ag nanoparticles (in solid AC granules) will determine this contact area, and will hence dictate the optimum performance of such a system. In the current proposed research, we will address these two parameters – morphology and location of nanoparticles on a porous solid adsorbent. More specifically, we will investigate how to achieve the maximum contact, by optimizing these two parameters, given a fixed amount of Ag available for embedding in AC.

212. Definition of the problem

Based on the above discussion, three aspects therefore would be fundamentally important for this application: (i) controlled method of synthesizing Ag nanoparticles – leading to a specific particle morphology in terms of size, shape and composition; (ii) superior technique of embedding/impregnation of Ag in AC – leading to a favoured, engineered

location of particles on the surface or pores of AC; (iii) continuous column-mode studies to interpret kinetics of disinfection (e. g. removal of E. coli from water) using Ag-AC composite.

The first of these parameters, namely morphology, is given in terms of size, shape and composition of nanoparticles. Understanding the mechanism of formation of nanoparticles and to thereby control its size, shape and composition is therefore critical in order to derive the maximum benefit. In this regard, it is most important to have monodisperse particles – since the structural, chemical and other properties of interest are a function of particle size in the 1-100 nm size range. Choice of a proper synthesis step for nanoparticles is the first step to address this.

Commonly employed bulk colloidal routes to inorganic nanoparticle formation involve precipitation or reduction of an aqueous salt solution (for synthesizing metal, metal oxide, semiconductor etc.) or sol-gel reaction of suitable precursors in water (for metal oxide). However, these methods do not provide adequate control over mixing and diffusion of reactants as reaction occurs in the bulk solvent (water) phase. This results in spatially non-uniform nucleation, growth and agglomeration processes during particle formation. As a result, the product is often polydisperse, with large variation in size and shape. In addition, for multicomponent particulate products (consisting of two chemical species in a single particle), there can be spatial segregation of the two species, implying compositional differences and therefore variability of the properties on a micro to mesoscopic length scale. However, by using stabilizing agents like citrates, one can have a somewhat better control, wherein citrate stabilized Ag nanoparticle dispersions in water can be made by the citrate reduction method.

In contrast to the above bulk solvent routes, one can also use polymeric templates - like dendrimer (Fig. 2a) molecules dissolved in water – via which the mixing and relevant reaction can be confined within a pre-defined zone of the dendrimer molecule – leading to synthesis of a more controlled nanoparticulate product. Dendrimers are few nanometers in diameter, e.g. a 4.5 generation poly-amidoamine (PAMAM) dendrimer molecule has a diameter of 5 nm (Fig. 2b). In addition, by tailoring the surface functional group on the outer surface of the dendrimer molecule, one can have different states of hydrophilicity and alter the location of nanoparticle formation on to the outer surface. Furthermore, controlled increase in the size of the dendrimer template (by increasing the generation number) offers a relatively easy route to control the nanoparticle size. It is hence challenging to explain the mechanism of formation of nanoparticles by observing the variation in particle size in response to changes in template size, reactant concentration and other controlling parameters affecting reaction, nucleation and growth rates.

It is important to note here that both citrate and PAMAM dendrimers are bio-compatible and non-toxic, and can therefore be present in the final Ag-AC product, which comes in direct contact with the treated water.

Therefore, one of the focus will be that of understanding the mechanism of formation of nanoparticles via templates (like dendrimers, emulsions etc.) in the aqueous medium (Fig. 3a). This may give a better size, shape and composition control, applicable for different classes of nanoparticles in general and metals like Ag in particular. Stabilized dispersion of Ag nanoparticles in water has shown promise as an antimicrobial agent in various contexts. Thus the basic understanding gained in nanoparticle formation mechanisms will be utilized to prepare and test various kinds of Ag dispersions in water (either templated or as citrate stabilized). These dispersions impregnated in AC can be potential candidates for complete disinfection of water.

The second parameter to be addressed is the location of Ag nanoparticles in the porous carbon granule of AC. To this end, we will synthesize silver nanoparticles in different ways – either in-situ within the pores, or as an externally prepared citrate or PAMAM stabilized dispersion, impregnating the dispersion onto AC. The aim will be to achieve the maximum disinfection of drinking water for a given minimum amount of Ag.

The understanding achieved in this part of the research will help us gain insight in the interactions of nanoparticles impregnated on a disordered porous adsorbent with a flowing water phase having bacterial cells like Escherichia Coli (E. coli). E. coli is a water-borne bacterial pathogen and is a model system for disinfection studies. It will eventually help us come up with strategies of engineering a porous adsorbent differentially – for example to make the external surface of the adsorbent more hydrophilic, compared to the internal surface of the intraparticle pores - thereby promoting more effective contact between the flowing water phase with the Ag nanoparticles. We will utilize dry processes like plasma or UV treatment of AC to achieve such differential wetting characteristics between external surface and hidden pores inside. This will lead to establishment of a mechanism of favoured locations of impregnating metal nanoparticles from a dispersion onto a porous adsorbent, so as to engender a fruitful and better contact of the nanoparticles with the target pathogens in a flowing water stream.

213. Objectives

Accordingly, as per the problem definition, our research in this area will first look at three different aspects of forming nanoparticles of controlled morphology – size, shape and composition – each of which may impact antibacterial properties of Ag.

The first aim is to determine the effect of different length scales of the templating moiety (dendrimer or emulsion) in which the nanoparticle is formed. This will also bring out the role of confining the processes of reaction, nucleation and growth in a cavity, whose size (in the range of few nanometers) is systematically varied by using dendrimers of different generations or emulsions of different average drop size, ultimately culminating in a bulk aqueous medium, where the relevant eddy-mixing length scales are of the order of a few micrometers – enabling a study of mixing length-scale effect on nanoparticle morphology.

As the available specific surface area increases with decreasing Ag nanoparticle size, the rate of formation of reactive oxygen species is expected to increase, so a higher antibacterial activity may be observed for smaller nanoparticles. Presently, we can synthesize Ag nanoparticles in the size range of 10 – 50 nm. We will aim synthesizing smaller size nanoparticles with a narrower size distribution, so as to achieve an enhanced effect with a smaller amount of Ag in the Ag-AC composite.

Next objective is to understand the effect of shape. Synthesis of particles in the porous channels of activated carbon (AC) can be tuned to make spherical or cylindrical nanoparticles or nanorods of Ag, and determine parameters controlling shape and its transition from sphere to other anisotropic forms. One literature report suggests that triangular Ag nanoparticles have better activity. This will be systematically tested against different shapes synthesized by us.

Afterwards, concentration of reactants and the overall reaction scheme will be decided for multi-component systems (like Ag-Cu or Ag-Fe nanoparticles, since Cu and Fe are also known to have some desirable antimicrobial properties like Ag) to obtain either core-shell morphology or homogeneous composition of the two metals present in a single nanoparticle. This will enable composition control in each single particle rather than achieving an overall particle ensemble characteristics – leveraging best biocidal properties.

In conjunction to the above experiments, we would develop models and simulate nanoparticle formation in dendrimers, emulsions and citrate stabilized systems. The primary interest would be in predicting particle size distribution obtained as a function of experimental conditions, and thereby provide theoretical understanding towards precise control of particle size, shape and composition for maximum benefit in water disinfection.

On the application front, the above theoretical and experimental insights will be synchronised to design the ideal Ag impregnation system onto AC. Research findings in optimum surface treatment of AC and preferential location of Ag nanoparticles on AC will result in an optimum Ag-AC composite filter for pathogen-free potable water. Simultaneously, insights gained from continuous flow-studies of an E. coli laden water stream against an Ag embedded carbon surface/column will show how optimum contact between metal, carbon and bacteria is established for possible contact-kill mechanism of E. coli. Fluorescence studies and imaging will elucidate the dynamics of flow and biotic-abiotic contact here.

Finally, we will address issues on how to engineer a very good adhesion of metal nanoparticles to a disordered carbon surface during the impregnation process, so that the metal does not leach out from the AC surface over time. That way, the antibacterial properties of an Ag-GC composite filter will remain effective for long-term water disinfection needs of a given unit, which is typically one year for a domestic set-up. One has to here apply principles of Chemical Engineering, so as not to have a very high pressure drop due to the possibility of excess Ag blocking the pores of AC, yet have

sufficient quantity of strongly bonded (high adhesive force) Ag for complete removal of E. coli within the time period of contact, the latter being only a few seconds in a typical domestic filter unit. Thus, the overall research objective would to study the synthesis, structure, dynamics and properties of nanoparticles and their impregnation and interaction with disordered porous adsorbents, so that one can engineer the required amount and location of Ag in an AC filter unit, thereby obtaining pathogen-free water over a sustained period of time, without any loss of activity of Ag.

With this viewpoint, the work proposed research will involve both modeling and experimental investigations.

220. Review of status of Research and Development in the subject

221. International status

The efficacy of Ag-GC in achieving antimicrobial properties will largely depend on making controlled size, shape and composition of Ag nanoparticles, either in bulk or in templates like emulsions or dendrimers. To understand these aspects, one has to therefore have a complete particle formation mechanism, leading to controlled nanoparticle properties in general; which more specifically will apply in Ag synthesis and its impregnation in AC.

However, the challenge of controlling nanoparticle size, shape and composition is only partly resolved till date. Pileni’s pioneering experimental work on metal particle synthesis using functionalized surfactants in the formation of reverse micelle (leading to water-in-oil microemulsions) gives some insight into both size and shape control. Many subsequent experiments1,2 consistently showed that particle size can be controlled by the microemulsion drop size. Her group also demonstrated3 that nanoparticles of various shapes could be produced by two techniques. Firstly,4 to use templates having a shape similar to that expected of the particles. However, only a fraction of the particles followed the shape of the template. Secondly,5 shape control was attempted by adding a salt during the particle formation process. Both routes independently showed significant effect on particle shape. Use of mixed surfactants6 in making reverse micelles also showed anisotropy in final particle shape. It turns out that all the methods to produce anisotropic particles depend on one single conclusion; particle growth is preferential in certain directions than others. The reason would be that adsorption of ions, surfactants, polymers or impurities on some of the preferred crystal faces either slowed down or stopped particle growth perpendicular to that crystal face. Apart from such a qualitative argument, no model could explain, quantitatively, anisotropy in particle shape.

In a seminal work by Bawendi’s group, a precise size control of II-VI semiconductor nanoparticles was achieved by a method called TOPO synthesis.7 In this method, two reactants are taken in the form of organometallic precursors and decomposed at a high temperature (300 °C) in a bath of a surfactant, [trioctyl phosphine oxide (TOPO)]. The

process is in thermodynamic equilibrium, and by adjusting temperature and hence particle growth rate, one can control particle size. Alivisatos’ group, following TOPO synthesis, showed that shape control8 could be achieved by adding HPA (hexyl phosphonic acid) as an additive in the reaction mixture. His group synthesized9 rods, tetrapods and arrow shaped nanoparticles following this formulation. However neither Pileni’s nor Alivisatos’ methods are useful for our purpose, as the former involves an oil medium as the bulk solvent, whereas, the latter uses organometallic precursors and phosphorous-based additives, none of which can be used for processing potable water.

On the modeling front, both Bawendi’s and Alivisatos’ groups have embarked on explaining the anisotropic growth through first principle theoretical models10, 11 of free energy calculations. Rabani’s molecular dynamic simulation12 shows the preferential growth in c-axis of CdSe crystal, which gives us a possible first explanation for the nanorod formation. Sundmacher’s group have followed BaSO4 nanoparticle formation by Monte Carlo (MC) simulations,13, 14 which are based on the MC methods of Bandyopadhyaya et al.15 Hirai’s group synthesized various single component16, 17 and core-shell18 semiconductor nanoparticles, by the reverse micellar route. Their work also included some preliminary population balance equation (PBE) based modeling.16, 19

222. National statusPradeep and co-workers have focussed on the synthesis of silver and gold nanoparticles, metal oxide coated silver and gold core-shell nanoparticles etc., by aqueous phase salt reduction method. In this, a salt precursor is reduced by a suitable reducing agent in an aqueous medium, in the presence of a stabilizer, which can protect the nanoparticles from self aggregation. Although particle size and shape control are achieved by varying the concentration ratio of salt to stabilizer, such a control remains merely empirical. They further studied self assembly of these particles, characterization and applications in antibacterial water treatment.20 However, they employed Ag nanoparticles in a polyurethane foam; the latter is not used in water purification studies, and hence one requires studies using activated carbon, widely used and standardized in water purification. Pal and co-workers have worked extensively on single component and core-shell nanoparticles by various routes including reverse micelle, seed mediated growth and aqueous phase reduction methods. Gold21 nanoparticles of various shapes have also been synthesized by this group. Some evidences to the effect of space confinement on particle size are due to this group. However, a quantitative explanation for size and shape control is yet to be proposed. Research in Sastry’s group aims to synthesize nanomaterials of various morphologies using various colloidal routes and biological templates.22 He showed that use of biological templates significantly controls size and shape of nanoparticles. Nevertheless, these biological templates are suitable only for making a specific material, and the role of template on particle shape is not completely understood.

There have been a good amount of PBE based modeling and MC based simulation work for developing nanoparticle formation mechanism in water-in-oil microemulsion systems. Although microemulsions are not applicable for the present application involving water purification, the modeling and simulation framework already developed for these systems are useful for our present research and are summarized below.

In this regard, with significant modeling and analysis - Kumar, Gandhi, Bandyopadhyaya and others presented some of the initial mechanisms of nanoparticle formation,15, 23, 24 with further improvement of simulation techniques later.25 Combining experiments and modeling, other have made important contributions to the understanding of nanoparticle formation. In a series of experimental papers, they have addressed the effect of oil medium on the particle size of silver chloride,26 silver27 and calcium carbonate.28

Population balance29, 30 and Monte Carlo31, 32, 33 simulation have been performed for the explanation of the dependence of particle size on various parameters like reactant concentration, molar ratio of reactants, water drop size etc. Accounting for realistic particle nucleation and reactant exchange rates, models from Bandyopadhyaya’s group34,

35 show excellent comparison with their own and others’ experimental data. They have also developed a comprehensive Monte Carlo simulation method for nanoparticle formation by mixing two reactants in two solutions.34

To summarize, only very few researchers have attempted to explore the underlying principles in the nanoparticle formation processes. Although various research groups across the world synthesize nanoparticles of various materials in different sizes and shapes, the precise control of size, shape and composition over a broad regime of experimental and process conditions is not yet achieved.

One solution is to use biocompatible polymeric templates like dendrimers However, it should be remembered that template size and shape are not the only controlling parameters. There are other factors like, surface functional groups of the templates, chemical structural differences inside the template (as in case of a dendrimer). These will play a crucial role in particle formation. Our research goal is to fill this void.

Therefore, a comprehensive particle formation mechanism based on simultaneous experimental and modeling work will enable us to a-priori specify experimental conditions for the synthesis of nanoparticles in general, and Ag in particular; with desired properties, like stability, biocompatibility and antimicrobial characteristics.

Our current work

Modeling and Simulation: In the past, PI and his research group have published models (Fig. 3b) and simulation of spherical,36 core-shell 37,38 and anisotropic nanoparticles,39 of different semiconductor materials (CdS, CdS-ZnS, PbS-ZnS, ZnO, ZnS) and validated these with experimental data of both their own and others’. Thus the PI has a theoretical framework, elucidating the simultaneous interplay of species-transport, chemical reaction, nucleation, particle growth and coagulation, leading to a nanoparticle dispersion in a liquid phase. This will be further generalized to tackle the special issues of intermediate metal cluster formation, finally translating to metal nanoparticle formation.

Experimental:On the application front, we have successfully made Ag particle embedded AC for the first time in the recent past (Figs. 1c and 1d), to assess its ability in inhibiting the growth

of E. coli.40 Ag-AC was made by impregnating AC with AgNO3 and then reducing it to metallic Ag. Plate assay showed slight inhibition of E. coli, even with Ag-AC prepared from 0.005 M AgNO3, but this and shake flask tests showed a conspicuous effect only for higher concentrations of 0.1 M – 1 M AgNO3 (Fig. 4) . Flow tests further indicated that Ag-AC made from 1.0 M AgNO3 caused a desirable 3 orders of reduction in E. coli number concentration in less than 30 seconds. Based on these preliminary results one can conclude that, about 9 - 10.5 wt.% of embedded Ag in the final Ag-AC product is necessary for the requisite complete inhibition of E. coli, killing bacteria in the contact-mode for up to 350 liters of flowing water. These results have shown us that Ag-AC possesses antibacterial property and can be used for disinfection to produce potable quality water. We have started Ag nanoparticle synthesis by citrate reduction too (Fig. 5).

Our results, therefore, establishes the role of Ag used directly in solid AC granules, facilitating potential adoption of already used AC,41 as a value added Ag-AC product for potable water production. This is in contrast to the previous work in the literature focusing only on the role of colloidal solutions of metallic Ag particles,42,43 or Ag ions in some cases,44 in mitigating bacterial growth.

Next we want to study surface modification of AC and other methods of Ag synthesis and impregnation (discussed in detail in the section on “Methodology”) for their disinfection capabilities. So these are the directions (emanating from recent work in our group) in which further investigation will be carried out in the proposed research project.

(a) (b)

(c) (d)

Figure 1. Scanning electron microscope (SEM) images of: (a) pure activated carbon (AC) granules, showing different size, shape and surface texture of each granule, scale bar: 400 micron. (b) a pure AC granule showing channel-like interconnected cylindrical pores in it, scale bar: 20 micron. (c) Ag impregnated AC (Ag-AC) granule, showing Ag particles and clusters (as bright white spots), made by in-situ impregnation and chemical reduction to Ag, scale bar: 50 micron. (d) higher magnification image of Ag-AC granule of Fig. 1(c), showing Ag particles both inside the pore and on the external surface of the granule, scale bar: 10 micron.

(a)

(b)

Figure 2. (a) Schematic of a single dendrimer molecule; highly branched monomers leading to tree-like generational structure. (b) Schematic of carboxyl-terminated 4.5 generation PAMAM [ploy (amidoamine)] dendrimer. Black spherical dot is a representative nanoparticle location, which can be varied to be either inside, or on the carboxyl-terminated surface functional groups.

(a)

(b)

Figure 3. (a) Schematic of nucleation (of a cluster of molecules) and growth (of nuclei) processes leading to nanoparticle formation. (b) A representative form of a population balance equation (PBE) capturing the nanoparticle formation mechanism from our model.

2-20 nm

Particle

Growth

10 A

NucleiMolecular cluster

Nucleation

birth due to nucleation birth and death due to reactant addition

birth and death due to collision-exchange

Figure 4. Plate test with E. coli, showing 3 inhibition zones formed by Ag-GC samples.

(a) (b)

(c)

Figure 5. (a) Schematic of the citrate reduction method for synthesizing Ag nanoparticle. (b) Photograph showing Ag nanoparticle dispersion synthesized by us via citrate reduction. (c) TEM image Ag nanoparticles from above, typical particle size is 20-25 nm.

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39. Ethayaraja, M.; Bandyopadhyaya, R. Mechanism and modeling of nanorod formation from nanodots. Langmuir 2007, 23, 6418.

40. Bandyopadhyaya, R.; Sivaiah, M. V.; Shankar, P. A. Silver embedded granular activated carbon as an antibacterial medium for water purification. J. Chem. Tech. & Biotech. 2008, 83, 1177.

41. Neely, J. W.; Isacoff, E. G., Carbonaceous Adsorbents for the Treatment of Ground and Surface Waters. 1982, Mercel Dekker, New York.

42. Lee, H. J.; Yeo, S. Y.; Jeong, S. H. Antibacterial effect of nanosized silver colloidal solution on textile fabrics. J. Mater. Sci. 2003, 38, 2199.

43. Panacek, A.; Kvitek, L; Prucek, R; Kolar, M; Vecerova, R; Pizurova, N; Sharma, V. K.; Nevecna, T.; Zboril, R. Silver colloid nanoparticles: Synthesis, characterization, and their antibacterial activity. J. Phys. Chem. B 2006, 110, 16248.

44. Feng, Q. L.; Wu, J.; Chen, G. Q.; Cui, F. Z.; Kim, T. N.; Kim, J. O. A mechanistic study of the antibacterial effect of silver ions on Escherichia coli and Staphylococcus aureus. J. Biomed. Mater. Res. 2000, 52, 662.

224. Review of expertise available with proposed investigating group/institution in the subject of the project

The principal investigator, Rajdip Bandyopadhyaya, has considerable experience in experiments and modeling of colloids and nanomaterials. Several PhD and M. Tech. students are working with the PI on various problems in the area of nanoparticles, porous materials, thin films, composites, modeling and simulation.

In addition, other analytical facilities for measurement and characterization are already available in the IIT Bombay campus which would be utilized on a prior booking basis. Some of these are: TEM, SEM, BET, XRD, FTIR, Laser Raman spectrometer etc.

Co-investigator, Prof. K. V. Venkatesh, is an expert in Biosystems Engg. and leads a large research group. Their in-house developed methylene blue reduction test (MBRT) would be utilized to assess the kinetics of E. coli death by quantifying the death rate through spectroscopic measurements. In addition, the usual plate assay and shake flask tests would also give complementary information on the antibacterial properties of Ag-GC.

Dr. V. Shankar (Filtrex Technologies Pvt. Ltd., Bangalore) has extensive experience in working with activated carbon (AC) based water filters and purification systems. In fact, the PI has already published some of their joint research results.40 Further innovation and optimization in both nanoparticle synthesis and its impregnation is required in order to improve the performance and make Ag-GC composite a viable alternative.

225. Patent details (domestic and international) No patents on Ag-GC composites in water treatment.

230. Work plan

231. Methodology

1. Nanoparticles would be first formed in a bulk medium like aqueous solution, without the use of any template. For this, we will synthesize Ag nanoparticles in an aqueous medium by reducing AgNO3 with tri-sodium citrate at near boiling temperature or by reduction via UV-visible radiation. Subsequently, we would prepare Ag embedded AC samples by adsorption of these Ag nanoparticles from its aqueous dispersion. By varying the reactant concentrations, time and reaction temperature one can change the particle size.

2. Next, we will use carboxylate terminated PAMAM dendrimers and emulsions to synthesize Ag nanoparticles in an aqueous medium. This Ag dispersion will also be used to prepare Ag-AC composite. This will be compared in its properties and applications with the citrate stabilized Ag nanoparticle dispersion.

3. In contrast to methods 1 and 2, where externally prepared Ag dispersion is adsorbed into AC granules, in this step, we will generate Ag nanoparticles in-situ in AC. For this, we will impregnate the AC pores with aqueous AgNO3 salt solutions by soaking the powder overnight. This will be followed by in-situ reduction (either thermally or by chemically, via NaBH4) to Ag nanoparticles in the granule itself. Thermal reduction of AgNO3 will be done by heating the soaked AC at 300 C, whereas, for in-situ chemical reduction, aqueous NaBH4

solution will be added at room temperature.

We will employ variation of pore size, reactant concentration, rate of addition of reactants to vary relative rates of reaction, nucleation, diffusion in pores and particle growth rate, to obtain either spherical nanoparticles or nanorods of Ag in the pores. For in-situ Ag formation, the reactant solutions have to diffuse inside the pores and capillary forces would play a determining role. Conditions of shape transition and shape control will be elucidated in this part of the research.

4. Next, we will compare the antibacterial properties of externally embedded (methods 1 and 2) and in-situ impregnated (method 3) Ag-AC composites.

5. In another direction, we will perform surface modification of AC by each of the

following techniques separately – by plasma treatment or exposure to UV-visible light. Subsequently, we will embed Ag into these surface modified AC samples by each of the methods 1, 2 and 3, and assess improvement of antibacterial properties.

6. Force of adhesion of nanoparticles to the carbon surface, as a function of time will be evaluated, while being exposed to a continuous flow of water, as is the situation during regular use of the Ag-AC composite as a water filter for disinfection purposes.

7. One also needs to establish the mechanism of antibacterial properties; is it a contact-kill or leach-kill scenario?

8. Evaluation of the loss in activity of Ag particles over time and development of ways to prevent it will also be an important step.

Composition control is also of interest in this research project. This will be accomplished by studying multicomponent particles (two materials in a single particle) in either core-shell or homogeneous form. For the former, spherical Ag nanoparticles will be formed as usual. Subsequently aqueous Cu salt solution will be added, which will react with excess reducing agent to form a metallic Cu layer on Ag nanoparticle, forming a core-shell structure. Shell thickness will be estimated from DLS measurements, which can be controlled by the method of addition and relative rates of reaction. In contrast, starting with the pre-dissolved metal salt solutions in water will finally result in a homogeneous (Ag-Cu) nanoparticle. Such compositional heterogeneity can therefore be controlled at a very precise nanometer length scale.

In all experiments, the nanoparticle size distribution will be obtained from dynamic light scattering (DLS) as a function of time. Final particle size and shape will also be obtained from transmission electron microscopy (TEM) with composition from energy dispersive X-Ray (EDAX). UV-Visible spectrophotometer will be used to monitor Ag formation by its absorption peak at 420 nm. Pore size distribution of the AC granules and its specific surface area and specific pore volume would be obtained from BET and BJH gas adsorption experiments.

The experimental results will be compared with modeling of particle size in bulk solution, emulsion and dendrimers. Population balance equation and Monte Carlo simulation would be used as the modeling framework. Existing models and codes of the PI will be extended further and modified for taking account of bigger dendrimer templates, particle shape anisotropy, core-shell morphology for multicomponent systems and concentration based diffusion mechanisms inside a dendrimer. Location of nanoparticle formation – either inside or on the external surface of a dendrimer molecule, achievable by manipulation of surface groups of the dendrimer – is also a key variable of interest, and worthy of investigation. Mechanistic understanding gained from modeling particle formation would help us in selecting and optimizing experimental conditions.

Such general strategies will form guidelines for optimum synthesis strategies for Ag nanoparticles and Ag-AC composite formulations. These will be used for antibacterial tests by plate test, shake flask test and flow tests. A case-control based study will then be carried out to find the potential of the nanoparticle impregnated AC in producing pathogen-free water, compared to the currently used AC filter, having no nanoparticles. 232. Organization of work elements

Size Shape

Impregnation methods

Ag made inside AC pores

Bulk solventmer

Bulk solvent

Template

Ag made externally n Shell

Template

Length scale and confinement Size control

Spheres, triangles, cubes

Sphere Nanoparticle diffusion and adsorption issues in pores

Spherical to non-spherical shape transition Shape control

Nanoparticle Synthesis and its Impregnation Strategies

Figure 6. Fundamental scientific issues related to controlled nanoparticle synthesis and impregnation in porous solid adsorbent.

233. Time schedule of activities giving milestones (bar diagram in Section 410)

1. (0-6 months)Literature review, obtaining quotations, purchase and installation of equipments, recruitment of personnel to work in the project.

2. (4-9 months)In-situ synthesis of Ag nanoparticle in activated carbon (AC) by chemical and thermal reduction of impregnated AgNO3. Testing of antimicrobial properties of Ag embedded AC (Ag-AC).

3. (4-12 months)Preparation of citrate stabilized Ag nanoparticle dispersion - both with and without UV-visible light - its impregnation in activated carbon (AC) and testing of antimicrobial properties.

4. (7- 15 months)Preparation of dendrimer and emulsion templated Ag nanoparticle dispersion, different impregnation strategies in activated carbon (AC) and testing of antimicrobial properties.

5. (10-24 months)Plasma and/or UV exposure of AC for surface modification, with subsequent Ag impregnation (in surface modified AC) by all forms of coated Ag particles. Investigation of enhancement of E. coli removal due to surface modification. 6. (4-24 months)Modeling and simulation of particle size distribution. Comparison of model predictions with experimental measurement of size, shape and composition for nanoparticles.

7. (25-30 months)Further tuning and optimization of experimental conditions to be undertaken for different Ag-AC composites by comparison with model predictions. Simultaneous testing to be done for biocompatibility, minimization of leaching-loss of Ag by enhancing adhesion with carbon bed, extent of water disinfection and elucidation of the bacteria-kill mechanism.

8. (25- 33 months)Implementation of the optimized (obtained by synergistic experimental and modeling studies) routes of Ag-AC formation in a small water disinfection unit, for testing and standardization of engineering issues – like minimizing pressure drop and sustaining high filtration rate of potable water from filter-bed, maximum continuous usage of Ag without drop in disinfection activity.

9. (31 – 36 months)Exploring the scientific insight gained in biotic-abiotic interaction of the three-way metal, bacteria, carbon contacting mechanism in doing exploratory studies in other systems of interest, wherever living and non-living matter interact.

234. Suggested plan of action for utilization of research outcome expected from the project

Strengthening of basic research in India by this project

The proposed project would look at both bulk solution and structured templates, like emulsions and dendrimers, for synthesis of nanoparticles of controlled size, shape and composition. Therefore, it would address the very important mechanism of assembly (nucleation and growth of clusters and molecules) and interactions (particle growth by diffusion and reaction) at nano and mesoscopic length scales. It would also provide us with a handle to synthesize materials at nanoscale by experimental parameters specified a-priori.

The second aspect it will explore is differential functionalization of a porous carbon surface so as to make some regions of the material more interactive towards metal deposition, and thereby engineer a more favourable biotic-abiotic interaction with E. coli bacteria.

This work will also be able to address various fundamental scientific issues which are key to understanding interfacial and system size effects in nanomaterials and have implications beyond the systems investigated presently. Firstly, what is the precise role of restricting mixing and reaction in a confined space of the dendrimer, when these confined reaction-pockets occasionally communicate by Brownian collision, in comparison to a bulk situation, where communication is by turbulent mixing at micrometer length scales. Also the precise role of different surface groups on controlling molecular interaction will bear out by their direct influence on controlling the location of the nanoparticle – which can be either on the external surface of AC or in the internal pores of AC. Secondly, what is the possibility of heterogeneous nucleation of silver nanoparticles inside the pores? Thirdly, how is diffusion and adsorption of small molecules and nanoparticles in a porous structure dependent on the pore geometry and pore size? Finally, how does a nanoparticle or guest molecule impregnate itself into the pores? This will be controlled by capillary forces and wetting characteristics of the aqueous solution on the walls of the internal pores.

Future outlook and utilization of research outcome

Presently, world over, safe drinking water is made by disinfecting either chemically or by UV treatment and occasionally by heating/boiling. Except chemical treatment, other methods require electricity, and therefore these methods deprive people of safe water in areas where there is no electricity/fuel. Chemical treatments are easy to perform and cheaper. Unfortunately, all chemicals produce byproducts which prove harmful to the consumer in the long run. Therefore there is an urgent need for alternatives. Silver impregnation is very effective in overcoming the problems of the above routes. It has been in use since time immemorial, and has no known side effects. Therefore, silver disinfection is a potential alternative relevant for all.

Finally, implementation of this work will bring together material science, engineering and biological sciences in a unique knowledge-sharing and developmental platform.

300. BUDGET ESTIMATES: SUMMARY

N

n Item

BUDGET (in lakhs of rupees)

1st  Year

2nd

Year

3rd

 Year Total

A.Recurring N Nn   N

N 1. Salary N 4.32 4.44.32   4.8 N9. 13.44

N 2. Consumables 222.5 N n2.5 1.0 N 6.05.

N 3. Travel N.0.250 N 0.30   0.25 N 0.8

N 4. Contingency N 0.4 N 0.3   0.3 N 1.0

B.Equipment 28.2 20 0   0 N 28.2

N

Total (A+B)

Grand total (A+B+20% overhead)

Total FEC*

N N  

Rs. 49.44 lakhs

Rs. 59.328 lakhs28

47,774 US$ and 3,257 Euro

*FEC - Foreign Exchange Component 1 US$ = 53 Rs., 1 Euro = 70 Rs. as of Dec., 2011.

310. BUDGET FOR SALARIES/WAGES

1st Year 2nd Year 3rd Year Total (Rs.)Designation & number of persons

MonthlyEmoluments

18,000 per month x 2 students for doing PhD

18,000 per month x 2 students for doing PhD

20,000 per month x 2 students for doing PhD

Total 4,32,000 4,32,000 4,80,000 13,44,000

311. Justification for the manpower requirement

The salaries will be used for recruiting two students to do PhD (Rs. 18000/- per month, per student x 12 months = Rs. 2,16,000/- per students annually, for the first two years and, Rs. 20000/- per month, per student x 12 months = Rs. 2,40,000/- per students annually, for the third year). One of them will work on nanoparticle modeling and simulation techniques, developing new hybrid models to address issues of anisotropic particles, reaction and nucleation in large single molecules like dendrimers and specifically adapting existing models for optimizing Ag-AC systems.

The second student will exclusively focus on synthesis and characterization of Ag nanoparticles of controlled size, shape and composition. Colloidally stable and biocompatible Ag samples will be embedded by him to make Ag-GC composite for antibacterial tests, leading to a filter design. A combined synergistic approach between these two students and the PI, handling modeling and experimental parts of the work, respectively, will accelerate towards the goals of the work.

320. BUDGET FOR CONSUMABLE MATERIALS

BUDGETItem 1st Year 2nd Year 3rd Year Total (Rs.)

Q* - - - -B** 2,50,000 2,50,000 1,00,000 6,00,000F*** - - - -

Total B 2,50,000 2,50,000 1,00,000 6,00,000F - - - -

*Q: Quantity or number, **B: Budget, **F: Foreign Exchange Component in US$ 321. Justification for consumables

The consumables budget is required for purchasing chemicals, solvents, surfactants, polymers, additives, liquid nitrogen, nitrogen and helium gas, glassware and plasticware.

330. BUDGET FOR TRAVEL

BUDGET1st Year 2nd Year 3rd Year Total (Rs.)

Travel (only inland travel)

25,000 30,000 25,000 80,000

331. Justification for travel

Travel amount is required for presenting research results in conferences and DST review meetings. On an average, results will be presented annually in one or two national conferences.

340. BUDGET FOR OTHER COSTS/CONTINGENCIES

BUDGET1st Year 2nd Year 3rd Year Total (Rs.)

Other costs/ContingencyCosts

40,000 30,000 30,000 1,00,000

341. Justification for contingency

Contingency amount is needed for covering stationary, printing, photocopying and other incidental charges. It will in addition be utilized for other things like, buying small accessories, repair of small equipments or charge for instrumental analysis in various instrumental and analytical facilities.

350. Detailed Budget for Equipment

Sr.No.

Generic name of the equipment

Imported/indigenous Estimated costs (in lakhs of rupees, L)

Spare time for otherusers (in %)

1.

2.

3.

4.

5.

6.

High temperature furnace with controller

Fluorescence spectrometer

Homogenizer

Constant temperature circulator

Refrigerator

Sonicator

Imported

Imported

Imported Imported

Local Local

3.80 L 20%

14.87 L 30%

6.65 L 30%

2.28 L 30%

0.25 L

0.35 L 30%

351. Justification for the proposed equipment

High temperature furnace with controller: Synthesis and impregnation of nanoparticles requires heating to a high temperature with a controlled heating rate and maintaining a constant temperature during reaction. A furnace with a PID controller is necessary for this.

Fluorescence spectrometer: It is needed to measure cell viability. For example, the signal from SYTOX green nucleic acid stain is proportional to the number of cells that have lost membrane integrity. So it will directly quantify the cell death or inactivity and rank the relative efficacy of antibacterial properties of different Ag-GC composites. In addition, an anionic dye (sulforhodamine 101) measures total protein by forming complexes with basic amino acid residues. Fluorescence spectrometry technique can be used to detect changes in cell size or population over a range of 100 to more than 100,000 cells.

Homogenizer: This is required for making dispersions and emulsions of two immiscible liquids, which will be directly useful in synthesizing Ag nanoparticles and for further impregnation. For example, a homogenizer can produce emulsions of quite monodisperse droplets of a well-controlled droplet diameter. Thus one can systematically vary droplet diameter and hence diameter of nanoparticles (synthesized in emulsion droplets), to study its effect on amount of Ag impregnation and its antibacterial properties.

Constant temperature circulator: One can maintain reaction temperature between -20 °C to 100 °C, by using a circulating heating/cooling water bath, thereby studying the effect of reaction temperature on nanoparticle synthesis. Lower temperature synthesis will result in almost no aggregation of particles, enhancing surface area of Ag for enhanced contact with bacteria.

Refrigerator: Many chemicals and samples for further analysis (like dendrimer, nanoparticle dispersions) need controlled temp. storage at low temperatures. So a refrigerator is essential.

Sonicator: It is necessary for making stable dispersions of particles for any analytical sampling, and TEM sample preparation for imaging particle size and shape.

410. Time Schedule of Activities through Bar Diagram

Activity

1. Literature Review & Equipment Installation

2. In-situ synthesis of Ag in AC and anti-microbial property testing

3. Synthesis of citrate stabilized Ag in AC and anti-microbial property testing

4. Synthesis of dendrimer and emulsion template Ag in AC and anti-microbial property testing

5. Synthesis in surface modified AC and investigation of the enhancement of E. Coli removal

6. Modeling of size, shape and composition and validation

8. Address flow issues in small water disinfection unit

9.Explore bacteria-carbon-metal contact

7. Optimization and adhesion enhancement of Ag in AC

420. List of facilities being extended by the parent institution for the project implementation

A: Infrastructural Facilities

Sr. No.

Infrastructural Facility Yes/No/Not requiredFull or sharing basis

1. Workshop facility Available but not required2. Water & Electricity Yes3. Laboratory Space/Furniture Yes 4. Power Generator Yes5. AC Room or AC Yes6. Telecommunication including email

& faxYes

7. Transportation Available but not required8. Administrative/Secretarial support Yes (sharing)9. Information facilities like

Internet/LibraryYes (sharing)

10. Computational facilities Yes (sharing)11. Animal/Glass House Not required12. Any other special facility being

providedCentral equipment facility, like XRD, TEM, SEM, EDAX, BET, FTIR

3 6 9 12 15 18 21 24 27 30 33 360

Time(months)

B. Equipment available with the Institute/Group/ Department for the project

Equipment available

with

Generic Name ofEquipment

Manufacturer, Model & Year of purchase

Remarks including

accessories available and

current usage of equipment

PI & his group

1. Photo Resist Spinner

2. Electronic Balance3. Fume Hood4. High Speed

Centrifuge5. Rotary Vacuum

Pump6. Laboratory stirrers7. Laser Particle Sizer8. Plasma cleaner9. Ellipsometer

Ducom, 2007

Merck, 2008Labguard, 2009Remi Instruments, R-24, 2007 Vacuum Technique, 2007 Remi InstrumentsMalvern, 2009Harrick Plasma, 2009J A Woollam, 2009

Regular usage

-do-

-do--do--do-

-do-

-do--do-

PI's Department

1. UV-Visible Spectrophotometer

2. Surface Area & Pore Size Analyzer

Perkin Elmer, 2009

Micromeritics, ASAP 2020

Available

Available

Other department (within IIT Bombay)

1. Transmission Electron Microscope

2. Scanning Electron Microscope

3. X-Ray Diffractometer

Philips CM 200

JEOL, JSM 6400

Panalytical, Rigaku

Available on booking

-do-

-do-

430. Detailed Bio-data of the Principal Investigator

Curriculum Vitae

Rajdip Bandyopadhyaya Phone: +91 (22) 2576 7209 (office)Associate Professor 2576 8209 (home)

Chemical Engineering Department Fax: +91 (22) 2572 6895 Indian Institute of Technology Bombay E-mail: rajdip@che.iitb.ac.in, Powai, Mumbai 400 076, India. rajdip@iitb.ac.in Web: http://www.che.iitb.ac.in/online/faculty/rajdip-bandyopadhyaya------------------------------------------------------------------------------------------------------------

PRESENT POSITION

Associate Professor, Department of Chemical Engg., Indian Institute of Technology Bombay, India; Feb., 2009 onwards.

PREVIOUS POSITIONS

Assistant Professor, Department of Chemical Engg., Indian Institute of Technology Bombay, India; March, 2007 – Feb, 2009.

Assistant Professor, Department of Chemical Engg., Indian Institute of Technology Kanpur, India; Sept., 2003 – Feb., 2007.

WORK EXPERIENCE

Postdoctoral researcher, Department of Chemical Engg., Univ. of California at Los Angeles, Los Angeles, USA, 2002-2003.

Postdoctoral researcher, Dept. of Materials Sc. & Engg., Univ. of Utah, Salt Lake City, USA, 2001-2002.

Postdoctoral researcher, Dept. of Chemical Engg., Ben-Gurion Univ. of the Negev, Beer-Sheva, Israel, 2000-2001.

EDUCATION

Ph. D., Chemical Engg., Indian Institute of Science, Bangalore, India, 2000. Thesis: Modeling of precipitation in reverse micellesAdvisors: Prof. R. Kumar, Prof. K. S. Gandhi (N. R. Kuloor memorial award for best PhD thesis in Chemical Engg., Dept., IISc, Bangalore, for the period 1999-2001).

M. E. (Distn.), Chemical Engg., Indian Institute of Science, Bangalore, India, 1994. First Class with Distinction (Grade point: 7.2/8.0, Rank: 2/10). Thesis: Precipitation in emulsion-emulsion reaction

B. Ch. E. (Hons.), Chemical Engg., Jadavpur University, Calcutta, India, 1992. First Class with Honours (Marks: 85.50 %, Rank: 3/60)Thesis: Software for optimum heat exchanger design

AREAS OF RESEARCH Colloids and Interfacial science: Self-assembly, microemulsions, sol-gel Nanomaterials: Nanoparticles, porous materials, thin films, nanocomposites Mathematical modeling: Population balance, Monte Carlo simulation

HONORS AND AWARDS

Member, National Academy of Sciences, India, (elected, 2009 onwards).

Invited member of the Reader’s Panel of the journal Nature (2008-2009).

Honorary Member, Editorial Board, International Journal of BioSciences and Technology (2008 onwards).

N. R. Kuloor memorial medal, (best PhD thesis in Chemical Engg., IISc, Bangalore, awarded biannually), for the period 1999-2001.

GATE Scholarship, (for all India ranking of 98.5 percentile), 1992-94.

Dr. H. L. Roy Memorial Medal (first position in Grand-Viva of Chemical Engg., Jadavpur University, Calcutta), 1992.

National Merit Scholarship (state level rank in Higher Secondary examination, West Bengal),1988.

TEACHING

At IIT Bombay (2007 onwards)

Materials Technology, Mass Transfer II, Modeling and Simulation, Colloids and Interfacial Engg., Experimental Methods, Unit operation laboratory

At IIT Kanpur (2003-06)

Modeling and simulation in chemical engineering (developed the course and its contents for postgraduates and senior undergraduates), Electronic, polymeric and ceramic materials and processing, Unit operation laboratory.

Fluid mechanics and rate processes (as tutor only)

Guest lectures:

IIT Kanpur: Nanomaterials and nanotechnology (2004, 2005), Thermodynamics (2004).

UCLA, Los Angeles: Advanced mass transfer (2003), Fundamentals of aerosol science (2002).

RESEARCH SUPERVISION

Ph.D thesis:

Nanoparticles to enhance efficacy of antibiotics for multi-drug resistant bacteria (Priyanka Padwal, 2010 onwards, jointly with Prof. Sarika Mehra)

Modeling and simulation of complex nanostructures (Nirmalya Bachar, 2009 onwards)

Magnetic nanoparticles (Kusum Saini, 2009 onwards) Iron oxide nanoparticle-silica thin films (Prithivi Raj, 2008 onwards)

Composites of nanoparticles and porous materials (N. R. Srinivasan, 2008 onwards)

Investigation of structure and phase behaviour of colloid-polymer mixtures (Samruddhi B. Kamble, 2007 onwards, jointly with Dr. Suresh Bhat, NCL, Pune)

Porous materials, nanoparticles and composites as sensor and separation devices (Anees Ahmed Yunus Khan, 2007 onwards)

Nanoparticle formation in aqueous and organic medium: Experiments, mechanism and modeling (C. Ravikumar, 2006-2011, PhD thesis submitted).

Modeling and simulation of nanoparticle and nanorod formation in liquid phase (M. Ethayaraja, 2003-2008; best PhD thesis award in Chemical Engg., IIT Bombay, 2009 and Shah-Schulman best PhD thesis award from IIChE, 2010).

M. Tech. thesis:

Multiscale modeling of nanoparticles (Jyoti Sahu, 2010 onwards)

Modeling of release kinetics from polymeric matrices (Amol Avhad, 2010 onwards)

Population balance modeling of ZnO nanocrystal formation in liquid phase (Gargi Mishra, 2009-2010)

Experiments and molecular dynamics simulation of free and impregnated metal nanoparticles (Avinash K. Singh, 2008-09)

Synthesis and analysis of ZnO nanoparticle formation in liquid phase (Tamanna Mahajan, 2008-09).

Measurement and simulation of particulate aerosols (Anirban Roy, 2006-07).

Molecular simulation studies of clustering of metal atoms and experimental studies of nanoparticle synthesis and deposition (Alka Kumari, 2006-07).

Metallic and polymeric composites of porous materials (M. Venkata Sivaiah, 2006-07).

Simulation of nucleation, coagulation and sintering in nanoparticulate aerosol aggregate formation (Natasha Kataria, 2005-06).

Functionalization and composites of mesoporous silica as adsorbents and sensor (Dipak B. Patel, 2005-06).

Monte Carlo simulation of nanoparticle formation in reverse micelles (Kanchan Dutta, 2004-05).

Mesoporous silica and nanoparticle composite: Analysis of structure and formation mechanism (Sanjoy Saha, 2004-05).

B. Tech-M. Tech (dual degree) thesis:

Modeling and simulation of iron oxide nanoparticles and its cellular uptake(Neeta Dixit, 2010 onwards)

Monte Carlo simulation of state of dispersion of nanoparticles in aqueous and organic medium (Santosh Kumar, 2009-2010)

Modeling and simulation of nanoparticle formation in vesicles (K. Krishnadash Singh, 2008-09).

Undergraduate supervised learning project:

Numerical techniques of solution of population balance equation (Nitin Matiyali, 2010 onwards)

B. Tech. project:

Silylation of mesoporous silica for benzene extraction from benzene-water system (Saurabh Singh, 2005-06).

Preparation of mesoporous silica containing congo red dye as a pH sensor (Sandeep Singh, 2005-06).

Rheological study of water-in-oil microemulsion of laponite clay dispersion (Mansi Tewari, 2005-06, jointly with Prof. Y. M. Joshi).

Modeling of carbon nanotube synthesis (Rachit Agrawal and Robin Gupta, 2004-05, jointly with Prof. D. Kunzru).

Simulation of DNA hybridization on a substrate (Tushit Roy, 2004-05).

Simulation of self-assembly of surfactant molecules (Deependra S. Nayal, 2004).

RESEARCH FUNDING

Use of Nanoparticles for Innovative Water Treatment Technologies, Quebec Ministry of International Relations, Canada, (co PI with Prof. S. Ghoshal, U. McGill), 2010-2012, 20,000 $.

Fund for Infrastructure in Science and Technology (FIST), Department of Science and Technology, (as one of the contributors and co-ordinator), 2010-2015, Rs. 2.1 crores.

General Strategies for Nanoparticles of Controlled Size, Shape and Composition: Magnetite as a Case Study for MRI Applications, Department of Science and Technology, (as principal investigator), 2008-2011, Rs. 38.95 lakhs.

Development of Thin Films and Powders of Mesoporous Silica and its Nanocomposites for Sensor and Separation Devices, Seed Grant, (IIT Bombay), (as principal investigator), 2007, Rs. 16 lakhs.

Scanning mobility particle sizer (SMPS) for gas borne nanoparticulate system, Care Scheme (IIT Kanpur), (as the project’s Co-principal investigator with Prof. S. N. Tripathi), 2005, Rs. 31.8 lakhs.

Engineering thin mesoporous films for development of sensor, Ministry of Human Resource and Development, (as principal investigator), 2005-2008, Rs. 20 lakhs

As a contributing member of the project proposal written for the DST Unit on Nanosciences established at IITK, Department of Science and Technology, 2005. Principal Co-ordinator: Prof. A. Sharma.

Thin mesoporous silica films by liquid phase self-assembly, Initiation scheme (IIT Kanpur), (as principal investigator), 2004, Rs. 8.6 lakhs.

PROFESSIONAL ACTIVITIES

Reviewer, technical papers of International Conference on Nano Science & Technology (ICONSAT 2010), IIT Bombay, February, 2010.

Member, Technical Programme committee, Indian Aerosol Science and Technology Association (IASTA 2010), Bose Institute, March, 2010.

Member, Organizing Committee, International Conference on Nano Science & Technology (ICONSAT 2010), IIT Bombay, February, 2010.

Reviewer, technical papers in 53rd DAE Solid State Physics Symposium, Bhabha Atomic Research Centre, Mumbai, December, 2008

Advisory committee member of National Seminar on Nanotechnology, Cuttack, February 2008.

Workshop on Nanotechnology: Taking the leap towards commercialization, (participant, by invitation), British Council and NCL, Pune, January, 2008.

Session chair (for the session: Material Synthesis and Nanoparticle Technology) in 4-th Asian Aerosol Conference, Bombay, December, 2005.

Panelist and session chair (for the session: Fundamentals and Overall Opportunities) in the Nanoparticle Aerosol Science and Technology workshop, held jointly between Indian and US scientists in Bombay, December, 2005. Conducted panel discussions and compiled research recommendations from this workshop.

Member, Technical committee, and reviewer of submitted papers in 4-th Asian Aerosol Conference, Bombay, December, 2005.

Nanomater Nanomaterials for Spacecraft Structural and Thermal Applications, discussion and technical sessions, (participant, by invitation), ISRO Satellite Centre, Bangalore, October, 2005.

Workshop on SAXS for Nanotechnology, (participant), IIT Bombay, July, 2005.

Joint course co-ordinator (with Prof. A. Sharma) and lecturer in the DST sponsored short-term course on Colloids and Interfaces: Fundamentals and Research Challenges, IIT Kanpur, February 2005.

Session chair (for the session Nanotechnology) of Indo-US joint Chemical Engg. Congress, Chemcon 2004, Bombay, December, 2004.

Technical committee member of International conference on Aerosol, Cloud and Indian Monsoon, IIT Kanpur, November, 2004.

Organizing committee member of first Indo-US workshop on ‘Futuristic Manufacturing: Generative Manufacturing, Self-Assembly and Micro-Electro-Mechanical Systems’, IIT Kanpur, March, 2004.

Reviewer of papers for following journals: Indian Chemical Engineer, Colloids and Surfaces, J. Materials Research, Advanced Materials, J. Nanoscience and Nanotechnology, Nanotechnology, Surface Science, J. Physical Chemistry B., J. American Chemical Society, Current Science, Journal of Physics: Condensed Matter, J. Colloid & Interface Science, Langmuir

Reviewer of research proposals submitted to Department of Science and Technology (DST), India, Council of Scientific and Industrial Research (CSIR), India.

Affiliation: Member, American Physical Society, 2001-02.

Member, Materials Research Society, USA, 2002-03. Life member, Indian Society for Advancement of Materials and Process Engineering,

2006 onwards. Member, American Chemical Society, 2009-onwards. Member, Materials Research Society, 2010-onwards.

ADMINISTRATIVE WORK

Secretary, Faculty search committee, Chemical Engg. Dept., IIT Bombay (2011 onwards).

Member, Policy committee, Chemical Engg. Dept., IIT Bombay (2009 onwards).

Member, IIT Bombay R&D agenda committee of Dean (R&D), (2009).

Member, Undergraduate programme committee (UGPC) of Senate, IIT Bombay (2009 onwards).

Member, postgraduate committee, Centre for Research in Nanotechnology and Sciences (CRNTS), IIT Bombay (2008 onwards).

Member, undergraduate committee, Chemical Engg. Dept., IIT Bombay (2008 onwards).

Faculty advisor, undergraduate students of 2007-2011 batch, Chemical Engg. Dept., IIT Bombay (2007-2011).

Convener, Chemical Engg. Dept. undergraduate committee, IIT Kanpur (2005-07).

Faculty Counselor, Student counseling service, IIT Kanpur (2004-07).

OTHER DEVELOPMENTAL WORK

Designed and developed a new Colloids and Nanomaterials laboratory at IIT Bombay, 2008-09.

Designed and built a continuous emulsion liquid membrane column under a AICTE project at Jadavpur University, Calcutta, 1996-97.

PUBLICATIONS

Total number of citation of all papers published so far is about 620.

Published in Refereed Journals:

1. Bandyopadhyaya R, Kumar, R., Gandhi, K. S., Ramkrishna, D., Modeling of precipitation in reverse micellar systems, Langmuir, 1997, 13(14), 3610-3620.

2. Bandyopadhyaya R, Bhowal, A., Datta, S., Sanyal, S., K., A new model of batch-extraction in emulsion liquid membrane: Simulation of globule-globule interaction and leakage, Chemical Engng. Science, 1998,

53(15), 2799-2807. 3. Bandyopadhyaya R, Kumar, R., Gandhi, K. S., Simulation of precipitation reactions in reverse micelles, Langmuir, 2000, 16(18), 7139-7149.

4. Bandyopadhyaya R, Kumar, R., Gandhi, K. S., Modeling of CaCO3 nanoparticle formation during overbasing of lubricating oil additives, Langmuir, 2001, 17(4), 1015-1029

5. Bandyopadhyaya R, Nativ-Roth, E., Regev O., Yerushalmi-Rozen, R., Stabilization of individual carbon nanotubes in aqueous solutions, Nano Letters, 2002, 2(1), 25-28.

This paper was highlighted in following two journal articles.

Highlights of the recent literature: Editor’s choice Nonadhesive Gum Arabic, Science, December 2001, v 294, pp 2253.

Sugary ways to make nanotubes dissolve, Chemical & Engineering News (American Chemical Society), July 2002, 80 (28), 38-39.

6. Bandyopadhyaya R, Nativ-Roth, E., Yerushalmi-Rozen, R., Regev O., Transferable thin films of mesoporous materials, Chemistry of Materials, 2003, 15(19), 3619-3624. 7. Borodin, O., Smith, G. D., Bandyopadhyaya, R., Byutner, O.,

Molecular dynamics study of the influence of solid interfaces on poly(ethylene oxide) structure and dynamics, Macromolecules, 2003, 36(20), 7873-7883.

8. Bandyopadhyaya, R., Lall, A. A., Friedlander, S. K., Aerosol dynamics and the synthesis of fine solid particles, Powder Technology, 2004, 139(3), 193-199.

9. Borodin, O., Smith, G. D., Bandyopadhayaya, R., Redfern, P., Curtis, L., S.,Molecular dynamics study of nanocomposite polymer electrolyte based on poly(ethylene oxide)/LiBF4, Modeling and Simulation in Materials Science &Engng., 2004, 12(3), S73-S89.

10. Bandyopadhyaya, R., Rong, W., Friedlander, S. K., Dynamics of chain aggregates of carbon nanoparticles in isolation and in

polymer films: Implications for nanocomposite materials, Chemistry of Materials, 2004, 16(16), 3147-3154.

11. Ethayaraja, M., Dutta, K., Bandyopadhyaya, R., Mechanism of nanoparticle formation in self-assembled colloidal templates: Population balance model and Monte Carlo simulation, J. Physical Chemistry B, 2006, 110(33), 16471-16481.

Kulkarni, M. M., Bandyopadhyaya, R., Bhattacharya, B., Sharma, A., Microstructural and mechanical properties of Silica-PEPEG polymer composite xerogels, Acta Materialia, 2006, 54(19), 5231-5240.

13. Ethayaraja, M., Bandyopadhyaya, R., Population balance models and Monte Carlo simulation for nanoparticle

formation in water-in-oil microemulsions: Implications for CdS synthesis, J. American Chemical Society, 2006, 128(51), 17102-17113.

14. Ethayaraja, M., Dutta, K., Muthukumaran, D., Bandyopadhyaya, R., Nanoparticle formation in water-in-oil microemulsions: Experiments,

mechanism and Monte Carlo simulation, Langmuir, 2007, 23(6), 3418-3423.

15. Ethayaraja, M., Ravikumar, C., Muthukumaran, D., Dutta, K., Bandyopadhyaya, R., CdS-ZnS core-shell nanoparticle formation: Experiment, mechanism and simulation, J. Physical Chemistry C, 2007, 111(8), 3246-3252.

16. Ethayaraja, M., Bandyopadhyaya, R., Mechanism and Modeling of Nanorod Formation from Nanodots, Langmuir,

2007, 23(11), 6418-6423. 17. Singh, R. K., Garg, A., Bandyopadhyaya, R., Mishra, B. K.,

Density Fractionated Hollow Silica Microspheres with High-Yield by Non-Polymeric Sol-Gel/Emulsion Route, Colloids and Surfaces A, 2007, 310(1-3), 39-45.

18. Ravikumar, C., Ethayaraja, M., Bandyopadhyaya, R., Discrete-continuous hybrid simulation of monodisperse nanoparticle formation, International J. Chemical Sciences, 2007, 5(4), 1764-1774.

19. Kulkarni, M. M., Bandyopadhyaya, R., Sharma, A.,Janus silica film with superhydrophobic and hydrophilic surfaces grown at oil-water interface, J. Materials Chemistry, 2008, 18(9), 1021-1028.

20. Bandyopadhyaya, R., Sivaiah, M. V., Shankar, P. A.,

Silver embedded granular activated carbon as an antibacterial medium for water purification, J. Chemical Technology & Biotechnology, 2008, 83(8), 1177-1180.

21. Ethayaraja, M., Bandyopadhyaya, R., Model for Core-Shell Nanoparticle Formation by Ion- Exchange Mechanism,

Industrial & Engg. Chemistry Research & Fundamentals, 2008, 47(16), 5982-5985.

22. Kulkarni, M. M., Bandyopadhyaya, R., Sharma, A.,Surfactant Controlled Switching of Water-in-Oil Wetting Behavior of Porous Silica Films Grown at Oil-Water Interfaces, J. Chemical Sciences, 2008, 120(6), 637-643.

23. Roy, A. A., Baxla, S. P., Gupta, T., Bandyopadhyaya, R., Tripathi, S. N.,Particles Emitted from Indoor Combustion Sources: size Distribution Measurement and Chemical Analysis, Inhalation Toxicology, 2009, 21(10), 837-848.

24. Baxla, S. P., Roy, A. A., Gupta, T., Tripathi, S. N., Bandyopadhyaya, R., Analysis of diurnal and seasonal variation of submicron outdoor aerosol mass and size distribution in a northern Indian city and its correlation to black carbon, Aerosol and Air Quality Research, 2009, 9(4), 458-469.

25. Ravikumar, C., Singh, S. K., Bandyopadhyaya, R.,

Formation of Nanoparticles of Water-soluble Molecules: Experiments andMechanism, J. Physical Chemistry C, 2010, 114(19), 8806-8813.   

26. Kumar, S., Ravikumar, C., Bandyopadhyaya, R.,

State of Dispersion of Magnetic Nanoparticles in an Aqueous Medium: Experiments and Monte Carlo Simulation, Langmuir, 2010, 26(23), 18320-18330.

    27. Patel, D. B., Singh, S., Bandyopadhyaya, R.,

Enrichment of benzene from benzene-water mixture by adsorption in silylated mesoporous silica, Microporous and Mesoporous Materials, 2011, 137(1-3), 49-55.

28. Ravikumar, C., Bandyopadhyaya, R. A Mechanistic Study on Magnetite Nanoparticle Formation by Thermal

Decomposition and Coprecipitation Routes, J. Physical Chemistry C, 2011, 115(5), 1380-1387.

29. Srinivasan, N. R., Bandyopadhyaya, R.,

Highly Accessible SnO2 Nanoparticle embedded SBA-15 mesoporous silica as a superior photocatalyst, Microporous and Mesoporous Materials, 2012, 149(1), 166-171.

Submitted/To be Submitted in Refereed Journals:

30. Ravikumar, C., Singh, M., Gupta, V.H., Sasi, P., Wangikar, P., Bandyopadhyaya, R.Cellular Uptake of Magnetic Nanoparticles by HepG2 Cells, Small, (submitted),

2011.

31. Ethayaraja, M., Bandyopadhyaya, R., Hierarchical Population Balance Models for Gas-Liquid-Solid Multiphase

Reactors: Nanoparticle Synthesis in Water-in-Oil Microemulsions, Industrial & Engg. Chemistry Research & Fundamentals, (submitted), 2010.

32. Sivaiah, M.V., Bandyopadhyaya, R.,Transition of Metallic Silver from Nanoparticles to Nanorods in Mesoporous Silica (MCM-41) Templated Silver Synthesis, Powder Technology, (submitted), 2010.

33. Sivaiah, M.V., Bhattacharya, B., Bandyopadhyaya, R., Optimized Mesoporous Silica-Polyester Composite with Enhanced Dynamic

Properties to Control Mechanical Vibration Composites Science and Technology, (submitted), 2010.

34. Singh, S. K., Bandyopadhyaya, R.Pore Size Control is More Significant than Surface Area for Adsorption of Neem Oil From Aqueous Mixture by Mesoporous Materials, (in preparation for Colloids and Surfaces A).

35. Saha, S., Bandyopadhyaya, R., Analysis of structure and formation mechanism of mesoporous silica-

nanoparticle composite (in preparation for Langmuir).

36. Dutta, K., Bandyopadhyaya, R., Universal trend in the effect of nucleation and growth on final nanoparticle size

in self-assembled templates, (in preparation for Colloids and Surfaces A).

37. Patel, D. B., Singh, S., Bandyopadhyaya, R.,Mesoporous Silica/Dye Compoites in Sensor Applications, (in preparation for J. Colloid Interface Science).

38. Kataria, N., Roy, A. A., Bandyopadhyaya, R.,Monte Carlo simulation of simultaneous nucleation, coagulation and finite rate

sintering in nanoparticulate TiO2 aerosol aggregate formation, (in preparation for Chemical Engng. Science).

39. Sivaiah, M.V., Bhattacharya, B., Bandyopadhyaya, R., Effect of aging on mechanical properties of polyester-mesoporous silica

composites, (in preparation for J. Materials Sc. Letters).

40. Roy, A. A., Tripathi, S., Bandyopadhyaya, R., Evidence of New Particle Formation in the Indo-Gangetic Plain: Surface Area

and Meteorological Considerations, (in preparation for J. Geophysical Research).

Conference Proceedings:

1. Bandyopadhyaya R, Dutta, T. K., Optimum heat exchanger replacement policy by Monte Carlo simulation, Chemcon (Indian Chemical Engg. Congress), 1996.

2. Bandyopadhyaya, R., Nativ-Roth, E., Regev, O., Yerushalmi-Rozen, R., Utilizing old Egyptian wisdom for stabilization of individual carbon nanotubes in

aqueous dispersions, Mat. Res. Soc. Symp. Proc., USA, Vol. 706 (Making Functional Materials with Nanotubes), 2002, pp 313-321.

3. Bandyopadhyaya, R., Rong, W., Suh, Y. J., Friedlander, S. K.,

Dynamics of nanoparticle chain aggregates of carbon under tension, Mat. Res. Soc. Symp. Proc., USA, Vol. 778, 2003, pp 99-104.

4. Lall, A. A., Bandyopadhyaya, R., Friedlander, S. K., The effect of maximum temperature and quench rate on fine solid particle formation by flame synthesis and laser ablation, American Institute of Chemical Engineers (AIChE) annual conference CD-ROM, 2003.

5. W. Rong, R. Bandyopadhyaya, S. K. Friedlander,

Dynamics of nanocomposites of carbon nanoparticle chain aggregates in polymers, American Institute of Chemical Engineers (AIChE) annual conference CD-ROM, 2003.

6. Dutta, K., Saha, S., Bandyopadhyaya, R.,Self-assembled amphiphilic molecules as templates for nanostructures, Chemcon (Indian Chemical Engg. Congress, Delhi, India), 2005, pp 279.

7. Ethayaraja, M., Bandyopadhyaya, R.,Modeling of nanoparticle formation in water-in-oil microemulsion, Chemcon (Indian Chemical Engg. Congress, Delhi, India), 2005, pp 104-105.

8. Gupta, R., Agrawal, R., Bandyopadhyaya, R., Kunzru, D., Modeling of carbon nanotube synthesis in a tubular aerosol reactor, AAC 2005

(4-th Asian Aerosol Conf., Bombay, India), 2005.

9. Ethayaraja, M., Bandyopadhyaya, R., Population balance models for nanoparticle formation in multiphase

gas–liquid–solid reactors, 8-th International conference on gas-liquid and gas- liquid-solid reactor engineering, IIT Delhi, Delhi, India, 2007.

10. Ravikumar, C., Bandyopadhyaya, R.,Nanoparticle formation by evaporation of water-in-oil microemulsion: Experiments and mechanism, Chemcon (Indian Chemical Engg. Congress, Kolkata, India), 2007, pp 428.

11. Roy, A. A., Kataria, N., Bandyopadhyaya, R.,Simulation of nucleation, coagulation and finite rate sintering in nanoparticulate aerosol aggregate formation, IASTA (Indian Aerosol Sc. & Tech. Assoc.) Bulletin, Delhi, India, 2007, 18(1-2), 214-217.

12. Roy, A. A., Kataria, N., Bandyopadhyaya, R.,Simulation of nucleation, coagulation and finite rate sintering in formation of nanoparticulate titania aggregate in aerosol reactors, Proceedings of International Conference on Nanoceramics and Nanocomposites, Kanpur, India, 2007.

13. C. Ravikumar, Rajdip Bandyopadhyaya, Comparison of co-precipitation and thermal decomposition routes for the

preparation of poly (acrylic acid) coated magnetite nanoparticle dispersion in water, Proceedings of Asian Particle Technology Conf., New Delhi, India, APT2009/121, 2009, (this paper was awarded the best poster award).

14. Santosh Kumar, Rajdip Bandyopadhyaya, States of magnetic nanoparticles with varying shell thickness: A Monte Carlo

simulation study, Proceedigns of Asian Particle Technology Conf., New Delhi, India, APT2009/122, 2009.

15. Gargi Mishra, Rajdip Bandyopadhyaya, Modeling ZnO nanorods, Proceedings of Asian Particle Technology Conf., New Delhi, India, APT2009/123, 2009.

16. Mani Ethayaraja, Rajdip Bandyopadhyaya, Modeling and simulation of the nanostructure formation dynamics, Proceedings of Asian Particle Technology Conf., New Delhi, India, APT2009/106, 2009.

17. Suranjan Sen, Pratibha Sharma, Chetan Singh Solanki, Rajdip Bandyopadhaya

Fluorescent manganese-doped zinc sulphide nanoparticles for spectral shifting, IEEE Photovoltaic Specialists Conference, Hawai, USA, 2010.

Other Articles:

1. Bandyopadhyaya, R.,Understanding nanoparticles and composites straddling multiple length scales and process mediums, Invited article in the souvenir of the National Conference on Frontiers of Chemical Engineering, IIT Guwahati, India, 2007.

ORAL PRESENTATIONS

Invited talks:

Nanoparticle Dispersions: Experiments, Mechanism, Modeling, National Chemical Laboratory, Pune, Aug., 2011.

Nanoparticles for innovative water treatment technologies, Quebec-Maharashtra research initiative, Indian Merchant’s Chamber, Mumbai, January, 2011.

Colloidal routes to materials at nanoscale: Structure and dynamics in multiphase systems, International experience in energy, environment and chemical engineering for Univ. Washington, IIT Mumbai, June, 2010.

Modeling and simulation of the nanostructure formation dynamics, Asian Particle Technology Conference, New Delhi, September, 2009.

Liquid phase dispersions for controlled nanoparticles and thin films, Pidilite Industries Ltd., Mumbai, May, 2009.

Structure, dynamics and applications of nanoparticles by the colloidal route, 3-rd MRS-S conference on Advanced Materials, Singapore, February, 2008.

Structure and dynamics of nanoparticles by the colloidal route, National Seminar on Nanotechnology, Cuttack, February 2008.

Structure, dynamics and applications of Nanoparticles by the Colloidal Route, National symposium on The Emerging Trends in Biotechnlogy, Seshadripuram First Grade College, Bangalore, September, 2007.

Colloidal and multiphase systems for nanomaterials, Workshop on Colloids and Materials Chemistry, Regional Research Laboratory (RRL), Bhubaneshwar, January, 2007.

Structure and dynamics in multiphase systems for nanomaterials synthesis and applications, First Indo-UK Nanotechnology Conference, British Council and S. N. Bose National Centre for Basic Sciences, Calcutta, November, 2006.

Nanostructured composites, short-term course on Recent Trends in Nanocomposites, IIT Kanpur, November, 2006.

The world of nanoparticles and nanocomposites, Nanotechnology Workshop, IIT Madras, October, 2006.

Nanoparticle aerosol science and technology (NAST): Fundamentals and overall opportunities, NAST workshop, Bombay, December, 2005.

Aerosol and colloidal route to materials at nanoscale, National Symposium on Chemical Engineering – The Journey Ahead, IISc, Bangalore, June, 2005.

Self-assembly in colloidal systems, Nanotechnology Symposium, IIT Bombay, March 2005.

A series of 4 invited lectures in the short-term course on Smart Materials: Opportunities and Future Challenges, NIT Allahabad, December, 2004.

Surfactant self-assembly: From nanometric particles to pores, Indo-US winter school on Futuristic Manufacturing, IIT Kanpur, December, 2004.

Effect of substrate on structure of thin films, 4-th Israel-German Minerva summer school on Molecular, Interfacial and Biological aspects of Mesostructures, Kibuutz Mashabei Sade, Israel, April, 2001.

Modeling of precipitation in reverse micelles, 4th Stadler symposium on Mesoscale Organization, Beer Sheva, Israel, April, 2000.

Contributing/Other Talks:

Aqueous dispersion of magnetite nanoparticles: Synthesis mechanism, cellular uptake and state of dispersion, American Chemical Society Colloid and Surface Science Symposium, Montreal, June, 2011.

Evolution of the Size Distribution and Shape of Nanoparticles andNanorods: Experiments, Modeling and Simulation, Materials Research Society meeting, Boston, USA, Dec., 2009.

Substrate-free Janus Films of Porous Silica, National conf. in recent advances in surface engg., National Aerospace Laboratories, Bangalore, Feb., 2009.

Nanoparticle Science and Engineering, DST school on Synthesis, characterization and application of nanoparticles, IIT Bombay, Dec., 2008.

Formation of hierarchical nanostructures: Experiments, Model, Simulation, Centre for Research in Nanotechnology and Science, IIT Bombay, April, 2007.

From molecules to materials: Surfactants as building block, National Chemical Laboratory, Pune, April, 2006.

Self-assembled template route to nanoscale materials and processes, organized by Samtel Display Centre, IIT Kanpur, February, 2006.

Self-assembled amphiphilic molecules as templates for nanostructures, IIT-National Univ. of Singapore joint session, Chemcon (Indian Chemical Engg. Congress), Delhi, December, 2005.

Carbon nanotube: Modeling and interfacial engineering, 4-th Asian Aerosol Conference, Bombay, December, 2005.

Thermodynamics of interfaces, a series of two lectures in the short-term course on Colloids and Interfaces: Fundamentals and Research Challenges, IIT Kanpur, February 2005.

Nanoparticle chain aggregates and polymer composites, Indo-US joint Chemical Engg. symposium, Chemcon (Indian Chemical Engg. Congress), Bombay, December 2004.

Reinforcement by nanoparticle chain aggregates of carbon synthesized by laser ablation, International Symposium on Aerosols, Clouds and Indian monsoon, IIT Kanpur, November, 2004.

Dynamics of nanoparticle chain aggregates of carbon under tension, Annual meeting of Materials Research Society, San Francisco, USA, April, 2003.

Effect of fillers on structure and dynamics of polymer nanocomposites, Annual meeting of American Physical Society, Indianapolis, USA, March, 2002.

Surfactants as building blocks: From Nanoparticles to mesopores, U. Amsterdam, Netherlands, March, 2001.

A generalized model of nanoparticle formation, Particles 2001 conference, Orlando, USA, February, 2001.

Detailed Bio-data of the Co-investigator

K. V. VENKATESH

PRESENT ADDRESSDr. K. V. Venkatesh.Professor,Department of Chemical Engineering,Associate faculty, School of Biosciences and Bioengineering,Indian Institute of Technology - Bombay,Powai, Mumbai - 400076.Email: venks@che.iitb.ernet.in , venks@iitb.ac.inTelephone: (091) (22) 2576-7223 Fax: (091) (22) 2572-6895.Webpage: http://www.che.iitb.ac.in/faculty/kvv/index.htm

QUALIFICATIONSB. Tech. Chemical Engineering, I. I. T. Madras (1989).Ph. D. Chemical Engineering, Purdue University, USA (1993).

AREA OF SPECIALIZATION: Synthetic and Systems Biology; Biochemical EngineeringQuantification of Biological NetworksAnalysis of Metabolic and Regulatory NetworksOptimization and Development of Biological and Food Processes

Recent Publications in 2008-2011 (total peer reviewed publications: 87)

1. Can Metabolic Plasticity be a Cause of Cancer? Warburg Waddington Legacy Revisited, Paike Jayadeva Bhat, Lalith Durante, KV Venkatesh, Jaswandi Dandekar and Abhay Kumar, Clinical Epigenetics, (2011).

2. Characterization of the Adaptive Response and Growth upon Hyperosmotic Shock in Saccharomyces Cerevisiae, Jignesh Parmar, Sharad Bhartiya and KV Venkatesh, Molecular Biosystems, 2011 (Article in press)

3. Phenotypic Characterization of Corynebacterium glutamicum Using Elementary Modes towards Synthesis of Amino Acids, Rajvanshi, M., K.V Venkatesh, Systems and Synthetic Biology, 2011 (Article in Press).

4. In silico quantification of optimal lysine synthesis during growth of Corynebacterium Glutamicum on Mixed Substrates (Glucose and Lactate), Kalyan gayen, Manish Kumar, Meghana Rajvanshi and KV Venkatesh, International Journal of Biotechnology and Biochemistry, 7 (1), 115-132, 2011.

5. Phenotypic characterization of Corynebacterium glutamicum under osmotic stress conditions using elementary mode analysis, Rajvanshi, M., K.V Venkatesh,. Journal of Industrial Microbiology and Biotechnology , pp. 1-13, 2010.

6. Experimental and Steady State analysis of the GAL regulatory system in Kluyveromyces lactis, Venkat R. Pannala, Sharad Bhartiya and K. V. Venkatesh, FEBS Journal, 277, 2987 – 3002, 2010.

7. Chemotaxis of Escherichia coli to L-serine, , Rajitha R. Vuppula, Mahesh. Tirumkudulu and K. V. Venkatesh, Physical Biology, 7 (2), art. no. 026007 2010.

8. Mathematical modeling and Experimental validation of chemotaxis under controlled gradients of methylaspartate in Escherichia coli, Molecular Biosystems, Rajitha R. Vuppula, Mahesh. Tirumkudulu and K. V. Venkatesh, 6, 1082 – 1092, 2010.

9. Stability analysis of the GAL regulatory network in Saccharomyces cerevisiae and Kluyveromyces lactis, BMC Bioinformatics, Vishwesh Kulkarni, K. V. Venkatesh, Pushkar Malakar, Lucy Y Pao, Michael Safonov and Ganesh Viswanathan, 11(S43) 2010.

10. Application of methylene blue dye reduction test (MBRT) to determine growth and death rates of microorganisms, Subir Nandy and K. V. Venkatesh, Journal of Microbiology Research, 4(2), 61-70, 2010.

11. Tomato Redness for assessing ozone treatment in extending shelf-life, Journal of Food Engineering, Suhas S. Zambre, K. V. Venkatesh and N. G. Shah, 96(3), 463-468, 2009.

12. Quantification of the effect of amino acids on an integrated mTOR and insulin signaling pathway, Molecular Biosystems, PK Vinod and KV Venkatesh, 5, 1163 - 1173, 2009.

13. A Model-based Study Delineating the Roles of the Two Signaling Branches of Saccharomyces cerevisiae, Sho1 and Sln1, during Adaptation to Osmotic Stress, Physical Biology, Jignesh Parmar, Sharad Bhartiya and KV Venkatesh, 6 (3), 2009.

14. Systems Biology – connecting Genotype to Phenotype, BioByte, KV Venkatesh, 2009.

15. Optimization of bioprocesses using metabolic engineering, Book Chapter:, Devesh Radhakrishnan, Meghna Rajvanshi, Kalyan Gayen & K. V. Venkatesh, Bioprocess and Bioproducts, Edited by Soumitra Biswas, Nirmala Kaushik and Ashok Pandey, AsiaTech Publishers, 2009.

16. Modeling and Experimental studies on Intermittent Starch feeding and citrate addition in Simultaneous Saccharification and Fermentation of Starch to Flavor Compounds,

Journal of Industrial Microbiology & Biotechnology, Abhijit R Chavan, Anuradha Raghunathan and K.V.Venkatesh, 36(4), 509-519, 2009.17. Stochastic analysis of the GAL genetic switch in Saccharomyces cerevisiae: Modeling and experiments reveal hierarchy in glucose repression, Vinay Prasad, K V Venkatesh, BMC Systems Biology, 2:97, 2008

18. Effect of temperature on the cannibalistic behavior of Bacillus subtilis, Subir Kumar Nandy, Vinay Prasad and K. V. Venkatesh, Applied and Environmental Microbiology, 2008.

19. Quantification of cell size distribution as applied to the growth of Corynebacterium glutamicum, Kalyan Gayen and K. V. Venkatesh, Microbiological Research, 163, 586-593, 2008.

20. Quantification of Signaling Networks, P K Vinod and K V Venkatesh, Journal of the Indian Institute of Science, 88:1, Jan-Mar 2008.

21. Effect of Carbon and Nitrogen on the Cannibalistic Behavior of Bacillus subtilis, Subir Kumar Nandy and K. V. Venkatesh, Applied Biochemistry and Biotechnology, March, 2008 (Online first).

22. A Steady State Model for the Transcriptional Regulation of Filamentous Growth in Saccharomyces cerevisiae, P K Vinod and K V Venkatesh, In Silico Biology, 8, 0018, 2008.

23. Integration of global signaling pathways, cAMP-PKA, MAPK and TOR in the regulation of FLO11, P K Vinod, Neelanjan Sengupta, P J Bhat and K V Venkatesh, PLoS 0NE, 3(2):e1663, 2008.

AWARDS AND RECOGNITION

1. Associate Editor, BMC Systems Biology.2. Member Editorial Board, International Journal of Systems and Synthetic Biology3. International judge for international Genetically Engineered Machines (iGEM-2009), MIT USA4. Invited to an International Workshop on “Physiological Modeling” organized by The Mathematical BiosciencesInstitute, Ohio State University, USA, May 21-24, 2007.5. Invited by Royal Society, London, UK to a workshop on Advances in Biosciences as relevant to Systems andSynthetic Biology, September 2006.6. Member of Organizing comittee, Indo-US Fronteirs of Engineering Meet, jointly hosted by National Academy ofEngineering, USA and Indian National Academy of Engineering, March 2-4, 2006.7. Swaranjayanthi Fellowship from DST (2004).

8. Hindustan-Dorr-Oliver Award for Excellence in use of technology in Rural Development (2004)9. Anil Kumar Bose award from Indian National Science Academy (INSA) for paper published in Journal ofBiological Chemistry (2004).10. Visiting Research Fellow, School of Molecular and Biological Science, Oxford (Brookes) University, Oxford, UK(May-June, 2002).11. Visiting Research Professor, Department of Chemical Engineering, University of Delaware, Delaware, USA fromJanuary 2001 to Deccember 2001.12. INSA Young Scientist Award, 1999 from Indian National Science Academy for Research.13. INAE Young Engineering Award, 1998 from Indian National Academy of Engineers.14. Amar-Dye-Chem Award, 1999 from Indian Institute of Chemical Engineering for excellence in research.

PhD THESES GUIDED

1. Ms. Anuradha Raghunathan, Simultaneous Saccharification and Fermentation of starch, 1999.2. Ms. Jyoti Bajpai Dikshit, Quantification of metabolic network of Lactobacillus rhamnosus, 2003.3. Malkhey Verma, Protein production utilizing Recombinant Yeast in Bioreactors, 2005.4. Vivek Mutalik, Quantification of signaling and regulatory networks, 2006.5. Kalyan Gayan, In-silico analysis of Metabolic Networks, 2007.6. Nikhil Chaudhary, Study of the regulatory design of Tryptophan system in Escherichia coli, 20077. Subodh Rawool, Steady state analysis of gene regulatory networks – simulation of micro-array data, 2008.8. Manish Shakdwipee, Analysis of Renreable Hydrogen Options, 20089. Subir K Nandy, Effect of nutritional stress on the viability of B. subtilis and E. coli in mixed culture, 2009.10. Vinod PK, Quantification of signalling networks in Yeast and Mammalian systems to nitrogen availability 2009.11. Suhas Zambre, Application of ozone in enhancing shelf life of tomato and potato, 2009.12. Abhijit Chauhan, Optimal operation of fermentation processes: Application to flavours production, 201013. Ms. Rajitha Vuppula, Chemotaxis of E. coli to controlled gradients of attractants, 201014. Venkat Pannala, Dynamic analysis and Characterization of the GAL system in Yeast, 2011.15. Jignesh Parmar, System Level Analysis of Osmotic Effect on Yeast, 2011.

450. Details of Research Projects being implemented/completed/submitted by the Principal Investigator

1. Investigator(s) Name & Institute: Rajdip Bandyopadhyaya Chemical Engg. Dept. Indian Institute of Technology Kanpur (previous affiliation of the PI)

Project Title: Engineering thin mesoporous films for development of sensor

Project Status: completed Duration: 3 yearsDate of start: 1. 4. 2005Funding agency: MHRDTotal cost: Rs. 20 lakhs Summary of the project:

Thin mesoporous (or nanoporous, in this case) silica films have been formed by spin coating a sol-gel reaction mixture from the liquid phase. The pores consist of hexagonal channels of controllable diameter of either 5 nm or 20 nm approximately. This has been verified by AFM, BET etc. Subsequently the pores have been functionalized with OTS or TMCS to make them hydrophobic, so as to make only benzene selectively adsorb in the pores, whereas water is not. As a result it can be used as a way of detecting and separating benzene at a very low concentration of tens of ppm in an aqueous mixture. The adsorption dynamics and equilibrium has been followed by UV-Visible absorbance of peak of benzene. This can be used as a sensor, which can detect very fast, and work reversibly on the basis of presence or absence of a response stimulus, like benzene.

2. Investigator(s) Name & Institute: Rajdip Bandyopadhyaya Chemical Engg. Dept. Indian Institute of Technology Kanpur

(previous affiliation of the PI)

Project Title: Scanning mobility particle sizer (SMPS) for gas-borne nanoparticulate systems

Project Status: Equipment installed and project completed Duration: 1 yearDate of start: 10. 9. 2005.Funding agency: IIT KanpurTotal cost: Rs. 31.8 lakhs

Summary of the project:

Gas-borne nanoparticulate systems find an important place in both environmental processes and in various technologies of commercial interest. The former comes under the purview of aerosol science, which involves the study of solid and liquid particles present in the atmosphere, and has implications in air pollution and climatic patterns. On the other hand, nanoparticles of carbon, iron, silica, titania and other metal oxides are synthesized in gas based processes (like chemical vapour deposition, flame and laser ablation reactors) for applications as reinforcing fillers, catalysts, pigments etc. Data on particle size distribution is fundamental to the understanding of the mechanism of formation and properties or new applications of these nanoparticles. The proposed Scanning Mobility Particle Sizing (SMPS) system furnishes this data.

SMPS has been utilized for obtaining particle size distribution data for both outdoor ambient aerosols and common household smoke particles in an enclosed, indoor environment. In the first case, patterns of diurnal and seasonal variations of nanoparticulates and black carbon in the environment has been analyzed and correlated successfully. On the other hand, in the second application area using SMPS; size distribution and chemical composition measurement of indoor aerosols has led us to identify the more harmful aerosols, among common household sources of smoke.

3. Investigator(s) Name & Institute: Rajdip Bandyopadhyaya Chemical Engg. Dept. Indian Institute of Technology Bombay

Project Title: General Strategies for Nanoparticles of Controlled Size, Shape and Composition: Magnetite as a Case Study for MRI Applications

Project Status: FinishedDuration: 3 yearsDate of start: 7. 5. 2008Funding agency: DSTTotal cost: Rs. 38.94 lakhs Summary of the project (Up-to date Technical progress report for on-going projects):

o Achieved stable aqueous dispersions of magnetic Fe3O4 nanoparticles of diameter < 20 nm, coated with different coating agents – like citric acid, dextran, PAA etc.

o Required cytocompatibility levels were obtained for citric acid or dextran coated Fe3O4

nanoparticles by incubating them with HepG2 cells, for up to 24 hrs.

o For achieving a stable dispersion, the minimum shell thickness of a coating agent required for a given particle size was predicted by Monte Carlo simulation.

o Through experiments and MC simulation, the states of aggregation of particles were found.

o Achieved continuous, silica thin films containing iron oxide nanoparticles (with negligible aggregation) distributed uniformly within the film.

Details of Research Projects being implemented/completed/submitted by the Co -Investigator

Investigator(s) Name & Institute: K. V. Venkatesh Chemical Engg. Dept. Indian Institute of Technology Bombay

Project Title: Characterization of heterogeneity in the microbial population using elementary mode analysis

Project Status: OngoingDuration: 3 yearsDate of start: March, 2010Funding agency: DSTTotal cost: Rs. 31 lakhs

500. Any other relevant matter: None