A complementary experimental and in silico studies on the action of fluorophenyl‑2,2′‑bichalcophenes as ecofriendly corrosion inhibitors and biocide agents
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DOI: 10.1016/j.molliq.2018.11.125
Abstract: Abstract The inhibition effect of fluorophenyl‑2,2′‑bichalcophenes on corrosion of carbon steel (C-steel) in 1.0 M hydrochloric acid (HCl) was investigated using various experimental techniques combined with quantum chemical calculations and atomistic modeling methodologies. Significant corrosion protection… read more here.
Keywords: silico studies; complementary experimental; fluorophenyl bichalcophenes; experimental silico ... See more keywords
Development of rapid and simple experimental and in silico serotyping systems for Citrobacter
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DOI: 10.2217/fmb-2018-0187
Abstract: Aim: Members of the genus Citrobacter are important opportunistic pathogens responsible for high mortality rate. Therefore, in this study, we aimed to develop efficient and accurate Citrobacter typing schemes for clinical detection and epidemiological surveillance.… read more here.
Keywords: citrobacter; silico serotyping; experimental silico; serotyping systems ... See more keywords
Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents
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DOI: 10.3390/antibiotics11111654
Abstract: In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed… read more here.
Keywords: evaluation; heteroaryl benzothiazole; evaluation new; new heteroaryl ... See more keywords
A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies
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DOI: 10.3390/molecules25051135
Abstract: The success of innovative drugs depends on an interdisciplinary and holistic approach to their design and development. The supramolecular architecture of living systems is controlled by non-covalent interactions to a very large extent. The latter… read more here.
Keywords: ornithine derived; chemistry; structure; experimental silico ... See more keywords