Articles with "characterization computational" as a keyword



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ncRNA Editing: Functional Characterization and Computational Resources.

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Published in 2019 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-8982-9_6

Abstract: Noncoding RNAs (ncRNAs) have received much attention due to their central role in gene expression and translational regulation as well as due to their involvement in several biological processes and disease development. Small noncoding RNAs… read more here.

Keywords: ncrna editing; editing functional; functional characterization; characterization computational ... See more keywords
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Syntheses, characterization, and computational study of AsF5 adducts with ketones

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Published in 2019 at "Journal of Fluorine Chemistry"

DOI: 10.1016/j.jfluchem.2019.02.011

Abstract: Abstract Lewis acid-base adducts between AsF5 and the ketones, acetone, cyclopentanone, and adamantanone, were synthesized from SO2 and CH2Cl2 solutions. These adducts, which contain O---As pnictogen bonding interactions, were found to be stable in solutions… read more here.

Keywords: characterization computational; spectroscopy; syntheses characterization; adduct formation ... See more keywords
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Synthesis, characterization and computational studies of semicarbazide derivative

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Published in 2018 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2018.09.123

Abstract: Abstract The (E)‑1‑(3, 5 dibromo benzylidene) semicarbazide (35DBBS) has been synthesized and characterized using Fourier-transform infrared (FT-IR), Fourier transform Raman (FT-Raman), 1H and 13C Nuclear magnetic resonance (NMR) spectral analyzes. Fukui functions, molecular electrostatic potential… read more here.

Keywords: semicarbazide derivative; bond; characterization computational; studies semicarbazide ... See more keywords
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Synthesis, characterization and computational studies of a novel thieno[2,3- b ]thiophene derivative

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Published in 2017 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2016.10.001

Abstract: Abstract Thieno[2,3-b]thiophene incorporating enaminone (4) was synthesized and characterized by various spectroscopic tools such as 1H NMR, 13C NMR, UV–vis spectroscopy, infrared (IR) and X-ray single crystal crystallography. Density Function Theory (DFT) optimization of molecular… read more here.

Keywords: studies novel; thiophene; characterization computational; computational studies ... See more keywords
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Ultrasound promoted synthesis, characterization and computational studies of some thiourea derivatives

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Published in 2020 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2020.128302

Abstract: Abstract Synthesis of some thiourea derivatives have been achieved by using ultrasound, the compounds have been characterised using IR, NMR, GC-MS and elemental analysis. The single crystal X-ray structure of N-[(benzyloxy)methanethioyl]benzamide (IV), 1-benzoyl-3-(2-hydroxyethyl)thiourea (V) and… read more here.

Keywords: ultrasound promoted; promoted synthesis; characterization computational; thiourea derivatives ... See more keywords
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Structural characterization, computational, charge density studies of 2-chloro-3-(2’-methoxy)-5,5-dimethyl-2-cyclohexenone

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Published in 2021 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2020.129116

Abstract: Abstract The title compound (C15H17ClO2), was crystallized in monoclinic system with P21/c space group. The Cg1 ring in the compound was puckered and displayed a half-chair conformation. In the crystalline solid of title compound the… read more here.

Keywords: density studies; density; characterization computational; structural characterization ... See more keywords
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Synthesis, characterization and computational studies of Zn complex based on the 8-hydroxyquinoline group containing benzimidazole

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Published in 2020 at "RSC Advances"

DOI: 10.1039/d0ra05168c

Abstract: A novel fluorescent zinc complex with 8-hydroxyquinoline containing benzimidazole ligands has been designed and synthesized. Its emission, IR spectroscopy, thermo-gravimetric analysis as well as electrochemical properties have been studied. The solid-state structures were determined via… read more here.

Keywords: containing benzimidazole; hydroxyquinoline; characterization computational; computational studies ... See more keywords
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Synthesis, Characterization, Computational, Antimicrobial Screening, and MTT Assay of Thiazolidinone Derivatives Containing the Indole and Pyridine Moieties

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Published in 2018 at "Russian Journal of General Chemistry"

DOI: 10.1134/s1070363218100213

Abstract: A series of novel 2-{[1-(arenesulfonyl)-1H-indol-3-yl]-4-oxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide derivatives was designed and calculate for their computational properties like physicochemical parameters and bioactivity score. Bioactive compounds 1–8, were then synthesized, Characterized by various spercoscopic techniques and assessed for antibacterial… read more here.

Keywords: computational antimicrobial; antimicrobial screening; pyridine; characterization computational ... See more keywords