01642nas a2200277   4500008004100000022001400041245015700055210006900212260010600281300001000387490000800397520061100405653002101016653001401037653001301051653001801064653001401082653001501096100002101111700002301132700001801155700002001173700001901193700002201212856013001234       2013                        eng d  a1386-142500aStudy of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study0 aStudy of hydration of sarcosine formation of its zwitterion and   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a74-830 v1163 a<p>{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW</p>10aDFT calculations10aHydration10aOligomer10aRaman spectra10aSarcosine10aZwitterion1 aSharma, Poornima1 aSingh, Dheeraj, K.1 aGupta, Vineet1 aAsthana, B., P.1 aMishra, P., C.1 aSingh, Ranjan, K.  uhttps://library.ncl.res.in/content/study-hydration-sarcosine-formation-its-zwitterion-and-their-different-oligomers-aqueous-002387nas a2200253   4500008004100000022001400041245013900055210006900194260000900263300001400272490000600286520150800292653001801800653001501818653002101833653002101854653002201875653002601897653002601923100002301949700002301972700001901995856011902014       2019                        eng d  a2365-654900aAdvances in the experimental and theoretical understandings of antibiotic conjugated gold nanoparticles for antibacterial applications0 aAdvances in the experimental and theoretical understandings of a  cJUN   a6719-67380 v43 a<p>The worldwide bacterial resistance to a wide range of antibiotics originates a global health concern and calls for the development of new antibacterial agents. Over the recent years, nanomaterials-based agents have been proven to be useful for the effective antibacterial applications. Notably, the gold nanoparticles (AuNPs) draw particular attention due to their biological inertness and easy surface functionalization. It is now established that the antibiotic functionalization on the AuNPs surfaces increases the antibacterial efficacy even towards the antibiotic-resistant bacterial cells. Moreover, the antibacterial efficacy can be further enhanced by photothermal therapy using antibiotic conjugated AuNPs. In this review article, we have reviewed the advances in the development of the synthesis methods of antibiotic conjugated AuNPs and gold nanoclusters, and their antibacterial efficacy. We have also discussed the developments in the theoretical understandings behind the interaction of antibiotic molecules with gold surface and its relation to the antibacterial activity. We believe that few parameters including the selection of antibiotic molecules, the method of its attachment to AuNPs, the purification of antibiotic conjugated AuNPs, and the quantification of conjugated antibiotic are crucial and needs to be properly addressed. Moreover, there are many other future directions discussed, for using antibiotic conjugated AuNPs more effectively for antibacterial therapy.</p>
10aAntibacterial10aantibiotic10aDFT calculations10agold nanocluster10aGold nanoparticle10amulti-drug resistance10aphoto-thermal therapy1 aKhandelwal, Puneet1 aSingh, Dheeraj, K.1 aPoddar, Pankaj  uhttps://library.ncl.res.in/content/advances-experimental-and-theoretical-understandings-antibiotic-conjugated-gold