01921nas a2200193   4500008004100000022001400041245014800055210006900203260007100272300001600343490000800359520112400367100001901491700001901510700001801529700002501547700002601572856012901598       2014                        eng d  a1520-610600aMicroscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study0 aMicroscopic hydration properties of the a beta142 peptide monome  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT  a11591-116040 v1183 a<p>Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.</p>1 aJose, Jaya, C.1 aKhatua, Prabir1 aBansal, Nupur1 aSengupta, Neelanjana1 aBandyopadhyay, Sanjoy  uhttp://library.ncl.res.in/content/microscopic-hydration-properties-beta1-42-peptide-monomer-and-globular-protein-ubiquitin-002031nas a2200241   4500008004100000022001400041245008300055210006900138260011000207300001400317490000700331520114000338100002201478700001801500700002601518700002201544700001801566700002101584700001601605700003001621700002001651856011801671       2015                        eng d  a1144-054600aMultifaceted core-shell nanoparticles: superparamagnetism and biocompatibility0 aMultifaceted coreshell nanoparticles superparamagnetism and bioc  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG  a8513-85210 v393 a<p>NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).</p>1 aSardar, Debasmita1 aNeogi, S., K.1 aBandyopadhyay, Sanjoy1 aSatpati, Biswarup1 aAhir, Manisha1 aAdhikary, Arghya1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aBala, Tanushree  uhttp://library.ncl.res.in/content/multifaceted-core-shell-nanoparticles-superparamagnetism-and-biocompatibility-001719nas a2200205   4500008004100000245013500041210006900176260000800245520093500253100002201188700002401210700002001234700001901254700001801273700002601291700001601317700003001333700002001363856013001383       2017                        eng d00aMultiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism0 aMultiple functionalities of Ni nanoparticles embedded in carboxy  cJAN3 aComposites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV–vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.1 aSardar, Debasmita1 aSengupta, Manideepa1 aBordoloi, Ankur1 aAhmed, Md., A.1 aNeogi, S., K.1 aBandyopadhyay, Sanjoy1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aBala, Tanushree  uhttp://library.ncl.res.in/content/multiple-functionalities-ni-nanoparticles-embedded-carboxymethyl-guar-gum-polymer-catalytic