<p>Shiv Nadar University is a comprehensive, multidisciplinary, research-focused, and student-centric University offering a full range of academic programs at the undergraduate, postgraduate and doctoral level. With state-of-the-art infrastructure, the University comprises of academic wings, sophisticated labs, international standard sports facilities, amphitheaters, auditorium, conference rooms and smart classrooms. The University&rsquo;s goal is to become internationally recognized for the quality of its research and creative endeavors and their applicability to improving quality of life, generating new insights and expanding the boundaries of human knowledge creativity. Committed to excellence in teaching, research and service, the University aims to serve the higher education needs of India and the world beyond.</p>

Shiv Nadar University

(SoNS) School of Natural Sciences

Preclinical Research In this overview, we examine recent developments in network approaches to drug design. A brief overview of networks is followed by a discussion of how chemical similarity networks and their properties address challenges in drug design. Multiple methods used to assess or enhance chemical diversity for early-stage drug discovery are discussed, as well as methods that can be used for drug repositioning and ligand polypharmacology. © 2014 Wiley Periodicals, Inc.

Chemistry

World University root node

Mathematics

Fulltext

Drug Development Research

Network measures for chemical library design

Photon harvesting by reducing reflection loss is the basis of photovoltaic devices. Here, we show the efficacy of Al-doped ZnO (AZO) overlayer on ion beam-synthesized nanofaceted silicon for suppressing reflection loss. In particular, we demonstrate thickness-dependent tunable antireflection (AR) from conformally grown AZO layer, showing a systematic shift in the reflection minima from ultraviolet to visible to near-infrared ranges with increasing thickness. Tunable AR property is understood in light of depth-dependent refractive index of nanofaceted silicon and AZO overlayer. This improved AR property significantly increases the fill factor of such textured heterostructures, which reaches its maximum for 60-nm AZO compared to the ones based on planar silicon. This thickness matches with the one that shows the maximum reduction in surface reflectance. PACS: 81.07.-b; 42.79.Wc; 81.16.Rf; 81.15.Cd © 2014, Basu et al.; licensee Springer.

Physics

Nanoscale Research Letters

Tunable antireflection from conformal Al-doped ZnO films on nanofaceted Si templates

The traditional frameworks for fuzzy linear optimization problems are inspired by the max-min model proposed by Zimmermann using the Bellman-Zadeh extension principle to aggregate all the fuzzy sets representing flexible (fuzzy) constraints and objective functions together. In this paper, we propose an alternative approach to model fuzzy multi-objective linear programming problems (FMOLPPs) from a perspective of bipolar view in preference modeling. Bipolarity allows us to distinguish between the negative and the positive preferences. Negative preferences denote what is unacceptable while positive preferences are less restrictive and express what is desirable. This framework facilitate a natural fusion of bipolarity in FMOLPPs. The flexible constraints in a fuzzy multi-objective linear programming problem (FMOLPP) are viewed as negative preferences for describing what is somewhat tolerable while the objective functions of the problem are viewed as positive preferences for depicting satisfaction to what is desirable. This approach enables us to handle fuzzy sets representing constraints and objective functions separately and combine them in distinct ways. After aggregating these fuzzy sets separately, coherence (or consistency) condition is used to define the fuzzy decision set. © 2013 Elsevier B.V.

Fuzzy Sets and Systems

A bipolar approach in fuzzy multi-objective linear programming

Here we investigate the solute-medium interaction and solute-centered dynamics in (RCONH2 + LiX) deep eutectics (DEs) via carrying out time-resolved fluorescence measurements and all-atom molecular dynamics simulations at various temperatures. Alkylamides (RCONH2) considered are acetamide (CH3CONH2), propionamide (CH 3CH2CONH2), and butyramide (CH 3CH2CH2CONH2); the electrolytes (LiX) are lithium perchlorate (LiClO4), lithium bromide (LiBr), and lithium nitrate (LiNO3). Differential scanning calorimetric measurements reveal glass transition temperatures (Tg) of these DEs are ∼195 K and show a very weak dependence on alkyl chain-length and electrolyte identity. Time-resolved and steady state fluorescence measurements with these DEs have been carried out at six-to-nine different temperatures that are ∼100-150 K above their individual Tgs. Four different solute probes providing a good spread of fluorescence lifetimes have been employed in steady state measurements, revealing strong excitation wavelength dependence of probe fluorescence emission peak frequencies. Extent of this dependence, which shows sensitivity to anion identity, has been found to increase with increase of amide chain-length and decrease of probe lifetime. Time-resolved measurements reveal strong fractional power dependence of average rates for solute solvation and rotation with fraction power being relatively smaller (stronger viscosity decoupling) for DEs containing longer amide and larger (weaker decoupling) for DEs containing perchlorate anion. Representative all-atom molecular dynamics simulations of (CH3CONH2 + LiX) DEs at different temperatures reveal strongly stretched exponential relaxation of wavevector dependent acetamide self dynamic structure factor with time constants dependent both on ion identity and temperature, providing justification for explaining the fluorescence results in terms of temporal heterogeneity and amide clustering in these multi-component melts. © 2014 AIP Publishing LLC.

Journal of Chemical Physics

Interaction and dynamics of (alkylamide + electrolyte) deep eutectics: Dependence on alkyl chain-length, temperature, and anion identity

Noble metal nanoparticles (NPs) have shown remarkable potential for numerous applications. In this work, a simple, one-pot, green method for the synthesis of gold, silver, palladium, and platinum NPs by using thiol-modified silk fibroin (SF-SH) has been described. The incorporation of thiol groups into silk fibroin (SF) yields small, mono-dispersed metal nanoparticles with good colloidal stability. UV-Vis, transmission electron microscopy (TEM), and X-ray powder diffraction (XRD) analyses show the formation of NPs, and thermo-gravimetric analysis (TGA) data reveal interaction of the NPs with thiol-modified SF. We also show that all the NP-SF conjugates catalyse the reduction of p-nitrophenol to p-aminophenol in the presence of NaBH4 at room temperature. The NP-SF conjugate materials were processed into different material formats like porous scaffolds and films without compromising their individual properties. The Au-SF-SH composite scaffold was used successfully in the heterogeneous catalysis of p-nitrophenol reduction using NaBH4 while the Ag-SF-SH conjugated film showed good antibacterial activity. This journal is © the Partner Organisations 2014.

RSC Advances

Green synthesis of noble metal nanoparticles using cysteine-modified silk fibroin: Catalysis and antibacterial activity

We investigate a model on an extra dimension S1 where plenty of effective boundary points described by point interactions (zero-thickness branes) are arranged. After suitably selecting the conditions on these points for each type of five-dimensional fields, we realize the tiny active neutrino masses, the charged lepton mass hierarchy, and lepton mixings with a CP-violating phase, simultaneously. Not only the quark’s but also the lepton’s configurations are generated in a unified way with acceptable accuracy, with neither the see-saw mechanism nor symmetries in Yukawa couplings, by suitably setting the model parameters, even though their flavor structures are dissimilar each other. One remarkable point is that a complex vacuum expectation value of the five-dimensional Higgs doublet in this model becomes the common origin of the CP violation in both quark and lepton sectors. The model can be consistent with the results of the precision electroweak measurements and Large Hadron Collider experiments. © 2014, The Author(s).

Journal of High Energy Physics

Realization of lepton masses and mixing angles from point interactions in an extra dimension

Ferrocene-conjugated copper(ii) complexes [Cu(Fc-aa)(aip)](ClO4) (1-3) and [Cu(Fc-aa)(pyip)](ClO4) (4-6) of l-amino acid reduced Schiff bases (Fc-aa), 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip) and 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (pyip), where Fc-aa is ferrocenylmethyl-l-tyrosine (Fc-Tyr in 1, 4), ferrocenylmethyl-l-tryptophan (Fc-Trp in 2, 5) and ferrocenylmethyl-l-methionine (Fc-Met in 3, 6), were prepared and characterized and their photocytotoxicity was studied (Fc = ferrocenyl moiety). Phenyl analogues, viz. [Cu(Ph-Met)(aip)](ClO4) (7) and [Cu(Ph-Met)(pyip)](ClO4) (8), were prepared and used as control compounds. The bis-imidazophenanthroline copper(ii) complexes, viz. [Cu(aip)2(NO3)](NO3) (9) and [Cu(pyip) 2(NO3)](NO3) (10), were also prepared and used as controls. Complexes 1-6 having a redox inactive cooper(ii) center showed the Fc+-Fc redox couple at ∼0.5 V vs. SCE in DMF-0.1 mol [Bu n4N](ClO4). The copper(ii)-based d-d band was observed near 600 nm in DMF-Tris-HCl buffer (1:1 v/v). The ferrocenyl complexes showed low dark toxicity, but remarkably high photocytotoxicity in human cervical HeLa and human breast adenocarcinoma MCF-7 cancer cells giving an excellent photo-dynamic effect while their phenyl analogues were inactive. The photo-exposure caused significant morphological changes in the cancer cells when compared to the non-irradiated ones. The photophysical processes were rationalized from the theoretical studies. Fluorescence microscopic images showed 3 and 6 localizing predominantly in the endoplasmic reticulum (ER) of the cancer cells, thus minimizing any undesirable effects involving nuclear DNA. This journal is {\textcopyright} the Partner Organisations 2014.

Dalton Transactions

Ferrocenyl-l-amino acid copper(ii) complexes showing remarkable photo-induced anticancer activity in visible light

Determination of maintainer and restorer status of germplasm collections is a prerequisite for their use in development of hybrid employing CMS system. In the present study, restorer and maintainer status of 372 Indian genotypes was determined using fertility restoration (Rf) linked microsatellite marker RM6100. A total of seven alleles for the marker locus, including four novel and three known, were identified in the study material. Maximum frequency was observed for the 144bp allele (44.89%) while minimum frequency was for 138bp allele (0.27%).Though most of the novel alleles were minor, occurring in less than 5% frequency, cumulatively they accounted for 9.2% frequency in the study material. Of the known alleles, which were found in 90.8% (338 genotypes) of the tested rice genotypes, 36% had maintainer type allele (132bp allele similar to Pusa 6B) while the rest had restorer type (144 or 150 bp) alleles. The spikelet fertility data generated on a subset of the study material agreed well with the established associations for the already reported alleles. Of the novel alleles, two (141 and 147 bp) were represented in the spikelet fertility dataset, both of which restored fertility, though their representation was low. This allelic information would be useful in selection of parental lines for development of hybrids in rice. © 2014, Indian Society of Genetics and Plant Breeding. All rights reserved.

Life Sciences

Indian Journal of Genetics and Plant Breeding

Allelic variation in the microsatellite marker locus RM6100 linked to fertility restoration of WA based male sterility in rice

DNA methylation plays a crucial role in development through inheritable gene silencing. Plants possess three types of DNA methyltransferases (MTases), namely Methyltransferase (MET), Chromomethylase (CMT) and Domains Rearranged Methyltransferase (DRM), which maintain methylation at CG, CHG and CHH sites. DNA MTases have not been studied in legumes so far. Here, we report the identification and analysis of putative DNA MTases in five legumes, including chickpea, soybean, pigeonpea, Medicago and Lotus. MTases in legumes could be classified in known MET, CMT, DRM and DNA nucleotide methyltransferases (DNMT2) subfamilies based on their domain organization. First three MTases represent DNA MTases, whereas DNMT2 represents a transfer RNA (tRNA) MTase. Structural comparison of all the MTases in plants with known MTases in mammalian and plant systems have been reported to assign structural features in context of biological functions of these proteins. The structure analysis clearly specified regions crucial for protein-protein interactions and regions important for nucleosome binding in various domains of CMT and MET proteins. In addition, structural model of DRM suggested that circular permutation of motifs does not have any effect on overall structure of DNA methyltransferase domain. These results provide valuable insights into role of various domains in molecular recognition and should facilitate mechanistic understanding of their function in mediating specific methylation patterns. Further, the comprehensive gene expression analyses of MTases in legumes provided evidence of their role in various developmental processes throughout the plant life cycle and response to various abiotic stresses. Overall, our study will be very helpful in establishing the specific functions of DNA MTases in legumes. © 2014 Garg et al.

PLoS ONE

Genomic survey, gene expression analysis and structural modeling suggest diverse roles of DNA methyltransferases in legumes

Visualization of macrophages in live animals has been of great interest for a better understanding of inflammation. We developed a near infrared (NIR) probe CDnir7 that can selectively detect macrophages and visualize inflammation in vivo using the IVIS spectrum, Fluorescence Molecular Tomography (FMT) and Multi-Spectral Optoacoustic Tomography (MSOT). © The Partner Organisations 2014.