Chemical sciences topic list of research papers
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Phase stability and thermodynamic properties of FeS polymorphs
Abstract We present a Hubbard-corrected density functional theory investigation of FeS polymorphs based on the quasi-harmonic theory of lattice vibrations. We show that the first temperature transition of troilite FeS cannot involve the MnP-type FeS ...
2017 / Umberto Terranova, Nora H. de Leeuw -
Isoflurane does not aggregate inside POPC bilayers at high pressure: Implications for pressure reversal of general anaesthesia
Abstract We placed isoflurane, a general anaesthetic, inside palmitoyloleoylphosphatidylcholine (POPC) bilayers at clinical concentration, and performed molecular dynamics simulations at atmospheric and raised pressures, using two different...
2015 / J.R. Wieteska, P.R.L. Welche, K.-M. Tu, Mohammad ElGamacy, G. Csanyi, et al. -
Binding modes of environmental endocrine disruptors to human serum albumin: insights from STD-NMR, ITC, spectroscopic and molecular docking studies2017 / Hongqin Yang, Yanmei Huang, Jiuyang Liu, Peixiao Tang, Qiaomei Sun, et al.
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Crystal structure of bis(μ3-methanolato-κ3O:O:O)-bis(μ2-methanolato-κ2O:O)-dimethanol-bis{6,6′-(1,3-dihydroxyl-2-acetylpropane-1,3-diyl)bis(2-chloro-4-bromophenolato)}tetramanganese(III) C40H40Br4Cl4Mn4O162017 / Ji-Xing Zhao, Li Zhao, Fei Wang, Qin-Qin An, Peng-Peng Li
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Gold nanoparticles stabilized by starch polymer and their use as catalyst in homocoupling of phenylboronic acid
Abstract In this study, gold nanoparticles (Au NPs) stabilized by a starch polymer have been successfully prepared and characterized via a number of techniques including X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), UV-visible...
2017 / Kittiyaporn Wongmanee, Sureeporn Khuanamkam, Sanoe Chairam -
DNA multilayer film for loading and release of DNA oligomer2017 / Y. Kamimura, N. Kato
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Nematogens for Matrix-Addressed Twisted Nematic Displays, II2015 / Maged A. Osman, T. Huynh-Ba
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Microalgae, old sustainable food and fashion nutraceuticals2017 / José L. García, Marta de Vicente, Beatriz Galán
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Crystal structures of gadolinium pentagermanide, GdGe5 and neodymium pentagermanide, NdGe52014 / Katrin Meier, Alexander Kerkau, Ulrich Schwarz
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Terpene content of wine from the aromatic grape variety ‘Irsai Oliver’ (Vitis vinifera L.) depends on maceration time2017 / Mojmir Baron, Bozena Prusova, Lenka Tomaskova, Michal Kumsta, Jiri Sochor
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Synthesis and characterization of novel activated carbon from Medlar seed for chromium removal: Experimental analysis and modeling with artificial neural network and support vector regression
Abstract In this study, for the first time the activated carbon has been produced from medlar seed (Mespilus germanica) via chemical activation with KOH. The carbonization process was carried out at different temperatures of 450, 550, 650 and...
2017 / Mostafa Solgi, Tahereh Najib, Shahyar Ahmadnejad, Bahram Nasernejad -
Controllable preparation and mechanism of nano-silver mediated by the microemulsion system of the clove oil
Abstract A clove oil microemulsion system was proposed for preparing silver nanoparticles (Ag-NPs). The effects of the clove oil concentration and the reaction time on the formation of Ag-NPs were investigated. The synthesized Ag-NPs was...
2017 / Hongfang Gao, Hui Yang, Chuang Wang -
Secondary structure content of the HDV ribozyme in 95% formamide2002 / J Duhamel
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Structural stability and mechanism of compression of stoichiometric B13C2 up to 68GPa2017 / Irina Chuvashova, Elena Bykova, Maxim Bykov, Volodymyr Svitlyk, Leonid Dubrovinsky, et al.
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The physicochemical properties of a [DEME][TFSI] ionic liquid-based electrolyte and their influence on the performance of lithium–sulfur batteries
Abstract Electrolyte choice is an important decision on the quest for higher-energy batteries. Besides general guidelines on the required properties of an electrolyte suitable for use in lithium–sulfur batteries, the influence of more specific...
2017 / Sara Drvarič Talian, Marija Bešter-Rogač, Robert Dominko -
Rod-Shaped Active Drug Particles Enable Efficient and Safe Gene Delivery2017 / Xiaofei Xin, Xue Pei, Xin Yang, Yaqi Lv, Li Zhang, et al.
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Study of Water and Dimethylformamide Interaction by Computer Simulation2015 / João Manuel Marques Cordeiro, Luiz Carlos Gomide Freitas
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Crystal structure of 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one2015 / Noura M. Riad, Darius P. Zlotos, Ulrike Holzgrabe
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Adsorptive removal of pentachlorophenol from aqueous solutions using powdered eggshell2017 / Krzysztof Kuśmierek, Paulina Idźkiewicz, Andrzej Świątkowski, Lidia Dąbek
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A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B2015 / Ligia R. Gomes, John Nicolson Low, Fernando Cagide, Alexandra Gaspar, Fernanda Borges