Results 41 to 50 of about 487,810 (325)
Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity
Molecules, 2017 Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard–soft acid–base (HSAB) principle were calculated to prove their contribution in antifungal activity [...]
María de los Ángeles Zermeño-Macías +4 more
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Journal of Chemistry, 2021 Alternaramide is a cyclic pentadepsipeptide isolated from marine sources that has been shown to present weak antibiotic activity against Bacillus subtilis and Staphylococcus aureus as well as inhibitory effects on inflammatory mediator expressions. Thus,
Norma Flores-Holguín +2 more
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Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics [PDF]
, 2016 The reactions of [γ-SiW10O36]8– represent one of the most important synthetic gateways into a vast array of polyoxotungstate chemistry. Herein, we set about exploring the transformation of the lacunary polyoxoanion [β2-SiW11O39]8– into [γ-SiW10O36]8 ...
Antonio Rodríguez-Fortea +9 more
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Scientific Reports, 2022 Aspergillipeptide D is a cyclic pentapeptide isolated from the marine gorgonian Melitodes squamata-derived fungus Aspergillus sp. SCSIO 41501 that it has been shown to present moderate activity against herpes virus simplex type 1 (HSV-1).
Norma Flores-Holguín +2 more
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Theory of diffusion-influenced reactions in complex geometries
, 2015 Chemical reactions involving diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced" (DI). Virtually all biochemical processes in living media can be counted among them, together with those occurring in ...
Fanelli, Duccio +2 more
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Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with an Index-two saddle [PDF]
, 2013 Reactivity boundaries that divide the destination and the origin of trajectories are of crucial importance to reveal the mechanism of reactions. We investigate whether such reactivity boundaries can be extracted for higher index saddles in terms of a ...
Kawai, Shinnosuke +4 more
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ChemistryOpen, 2021 Homophymines A–E and A1–E1 are bioactive natural cyclodepsipeptides with a complex molecular architecture. These molecules could have a potential use as antimicrobial, antiviral, and anticancer substances. We have carried out a computational study of the
N. Flores-Holguín +2 more
semanticscholar +1 more source
Cumhuriyet Science Journal, 2017 This work dealt with theinvestigation of the methyl 9H-pyrido[3,4-b]indole-3-carboxylate (Basiccompound) and its C1-substituted derivatives to search for the best substituentgroup that enhances the chemical reactivity behavior of the Basic compound ...
Mustafa Elik, Goncagül Serdaroğlu
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Advances in Physics: X, 2021 In theory, oxygen (O2) is an ideal chemical reagent because of its high relative abundance and negligible environmental toxicity. In practice however, by the nature of its ground state electronic configuration, many chemical reactions involving O2 are ...
Irving D. Rettig, Theresa M. McCormick
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The nature and role of the gold-krypton interactions in small neutral gold clusters [PDF]
, 2015 © 2015 American Chemical Society. We investigate the nature and role of krypton embedding in small neutral gold clusters. For some of these clusters, we observe a particular site-dependent character of the Kr binding that does not completely follow the ...
Benoit, David M., Mancera, Luis A.
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