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Indian Institute of Technology Kanpur | Date: 2015-02-25

Nanobrushes, methods of forming nanobrushes, and methods of altering material with a nanobrush are disclosed herein. A nanobrush may include a substrate having a surface and a plurality of bristles deposited on at least one portion of the surface. The plurality of bristles may be arranged into a plurality of bunches. Each of the plurality of bunches may be spaced from an adjacent bunch at a bunch interval equal to or less than about 100 m.

Indian Institute of Technology Kanpur | Date: 2015-01-20

Method of forming micro channels in a polymeric nanocomposite film is provided. The method includes combining one or more monomers to form a mixture and adding a plurality of carbon fibers with metal nanoparticles dispersed therein to the mixture prior to or concurrently with formation of a polymer from the monomers. The method also includes adding at least one hydrophobic agent and at least one plasticizer to the polymer to form the polymeric nanocomposite film and forming a plurality of laser-etched micro channels in a surface of the polymeric nanocomposite film.

Sahu N.,Indian Institute of Technology Kanpur | Gadre S.R.,Indian Institute of Technology Kanpur
Chemical Reviews | Year: 2014

CONSPECTUS: Chemistry on the scale of molecular clusters may be dramatically different from that in the macroscopic bulk. Greater understanding of chemistry in this size regime could greatly influence fields such as materials science and atmospheric and environmental chemistry. Recent advances in experimental techniques and computational resources have led to accurate investigations of the energies and spectral properties of weakly bonded molecular clusters. These have enabled researchers to learn how the physicochemical properties evolve from individual molecules to bulk materials and to understand the growth patterns of clusters. Experimental techniques such as infrared, microwave, and photoelectron spectroscopy are the most popular and powerful tools for probing molecular clusters. In general, these experimental techniques do not directly reveal the atomistic details of the clusters but provide data from which the structural details need to be unearthed. Furthermore, the resolution of the spectral properties of energetically close cluster conformers can be prohibitively difficult. Thus, these investigations of molecular aggregates require a combination of experiments and theory. On the theoretical front, researchers have been actively engaged in quantum chemical ab initio calculations as well as simulation-based studies for the last few decades. To obtain reliable results, there is a need to use correlated methods such as Møller-Plesset second order method, coupled cluster theory, or dispersion corrected density functional theory. However, due to nonlinear scaling of these methods, optimizing the geometry of large clusters still remains a formidable quantum chemistry challenge. Fragment-based methods, such as divide-and-conquer, molecular tailoring approach (MTA), fragment molecular orbitals, and generalized energy-based fragmentation approach, provide alternatives for overcoming the scaling problem for spatially extended molecular systems. Within MTA, a large system is broken down into two or more subsystems that can be readily treated computationally. Finally, the properties of the large system are obtained by patching the corresponding properties of all the subsystems. Due to these approximations, the resulting MTA-based energies carry some error in comparison with calculations based on the full system. An approach for correcting these errors has been attempted by grafting the error at a lower basis set onto a higher basis set. Furthermore, investigating the growth patterns and nucleation processes in clusters is necessary for understanding the structural transitions and the phenomena of magic numbers in cluster chemistry. Therefore, systematic building-up or the introduction of stochastics for generating molecular assemblies is the most crucial step for studying large clusters. In this Account, we discuss the working principle of MTA for probing molecular clusters at ab initio level followed by a brief summary of an automated and electrostatics-guided algorithm for building molecular assemblies. The molecular aggregates presented here as test cases are generated based on either an electrostatic criterion or the basin hopping method. At MP2 level computation, the errors in MTA-based grafted energies are typically reduced to a submillihartree level, reflecting the potential of finding accurate energies of molecular clusters much more quickly. In summary, MTA provides a platform for effectively studying large molecular clusters at ab initio level of theory using minimal computer hardware. (Figure Presented). © 2014 American Chemical Society.

Joshi Y.M.,Indian Institute of Technology Kanpur
Annual Review of Chemical and Biomolecular Engineering | Year: 2014

Many household and industrially important soft colloidal materials, such as pastes, concentrated suspensions and emulsions, foams, slurries, inks, and paints, are very viscous and do not flow over practical timescales until sufficient stress is applied. This behavior originates from restricted mobility of the constituents arrested in disordered structures of varying length scales, termed colloidal glasses and gels. Usually these materials are thermodynamically out of equilibrium, which induces a time-dependent evolution of the structure and the properties. This review presents an overview of the rheological behavior of this class of materials. We discuss the experimental observations and theoretical developments regarding the microstructure of these materials, emphasizing the complex coupling between the deformation field and nonequilibrium structures in colloidal glasses and gels, which leads to a rich array of rheological behaviors with profound implications for various industrial processes and products. © 2014 by Annual Reviews.

Ghosh E.,Indian Institute of Technology Kanpur
Cell | Year: 2014

G-protein-coupled receptors enable cells to recognize numerous external stimuli and to transmit corresponding signals across the plasma membrane to trigger appropriate cellular responses. Crystal structures of a number of these receptors have now been determined in inactive and active conformations bound to chemically and functionally distinct ligands. These crystal structures illustrate overall receptor organization and atomic details of ligand-receptor interactions. Copyright © 2014 Elsevier Inc. All rights reserved.

Upadhyay S.,Indian Institute of Technology Kanpur
Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics | Year: 2015

The BRST quantizations of worldsheet gravity corresponding to final more acceptable derivative gauge and the standard conformal gauge are studied. We establish a mapping between these two gauges utilizing FFBRST formulation in standard way. Therefore, we are able to declare that the problems associated with Virasoro constraints are the gauge artifact. © 2014 The Author.

Upadhyay S.,Indian Institute of Technology Kanpur
Annals of Physics | Year: 2015

We consider effective actions of the cosmological Friedmann-Robertson-Walker (FRW) models and discuss their fermionic rigid BRST invariance. Further, we demonstrate the finite field-dependent BRST transformations as a limiting case of continuous field-dependent BRST transformations described in terms of continuous parameter κ. The Jacobian under such finite field-dependent BRST transformations is computed explicitly, which amounts an extra piece in the effective action within functional integral. We show that for a particular choice of a parameter the finite field-dependent BRST transformation maps the generating functional for FRW models from one gauge to another. © 2015 Elsevier Inc.

Chowdhury D.,Indian Institute of Technology Kanpur
Biophysical Journal | Year: 2013

A molecular machine is either a single macromolecule or a macromolecular complex. In spite of the striking superficial similarities between these natural nanomachines and their man-made macroscopic counterparts, there are crucial differences. Molecular machines in a living cell operate stochastically in an isothermal environment far from thermodynamic equilibrium. In this mini-review we present a catalog of the molecular machines and an inventory of the essential toolbox for theoretically modeling these machines. The tool kits include 1), nonequilibrium statistical-physics techniques for modeling machines and machine-driven processes; and 2), statistical-inference methods for reverse engineering a functional machine from the empirical data. The cell is often likened to a microfactory in which the machineries are organized in modular fashion; each module consists of strongly coupled multiple machines, but different modules interact weakly with each other. This microfactory has its own automated supply chain and delivery system. Buoyed by the success achieved in modeling individual molecular machines, we advocate integration of these models in the near future to develop models of functional modules. A system-level description of the cell from the perspective of molecular machinery (the mechanome) is likely to emerge from further integrations that we envisage here. © 2013 Biophysical Society.

Chowdhury D.,Indian Institute of Technology Kanpur
Physics Reports | Year: 2013

A molecular motor is made of either a single macromolecule or a macromolecular complex. Just like their macroscopic counterparts, molecular motors "transduce" input energy into mechanical work. All the nano-motors considered here operate under isothermal conditions far from equilibrium. Moreover, one of the possible mechanisms of energy transduction, called Brownian ratchet, does not even have any macroscopic counterpart. But, molecular motor is not synonymous with Brownian ratchet; a large number of molecular motors execute a noisy power stroke, rather than operating as Brownian ratchet. We review not only the structural design and stochastic kinetics of individual single motors, but also their coordination, cooperation and competition as well as the assembly of multi-module motors in various intracellular kinetic processes. Although all the motors considered here execute mechanical movements, efficiency and power output are not necessarily good measures of performance of some motors. Among the intracellular nano-motors, we consider the porters, sliders and rowers, pistons and hooks, exporters, importers, packers and movers as well as those that also synthesize, manipulate and degrade "macromolecules of life". We review mostly the quantitative models for the kinetics of these motors. We also describe several of those motor-driven intracellular stochastic processes for which quantitative models are yet to be developed. In part I, we discuss mainly the methodology and the generic models of various important classes of molecular motors. In part II, we review many specific examples emphasizing the unity of the basic mechanisms as well as diversity of operations arising from the differences in their detailed structure and kinetics. Multi-disciplinary research is presented here from the perspective of physicists. © 2013 Elsevier B.V.

Indian Institute of Technology Kanpur | Date: 2015-08-04

A microfluidic device is provided. The microfluidic device includes a microtube having a hollow core. The microfluidic device further includes a plurality of nanopores extending radially outwards from an inner surface of the microtube.

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