Biomimetic Nanochannels: From Fabrication Principles to Theoretical Insights
Sign Up to like & getrecommendations! Published in 2022 at "Small Methods"
DOI: 10.1002/smtd.202101255
Abstract: Biological nanochannels which can regulate ionic transport across cell membranes intelligently play a significant role in physiological functions. Inspired by these nanochannels, numerous artificial nanochannels have been developed during recent years. The exploration of smart… read more here.
Keywords: fabrication principles; principles theoretical; theoretical insights; nanochannels fabrication ... See more keywords
Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in water
Sign Up to like & getrecommendations! Published in 2021 at "Carbon"
DOI: 10.1016/j.carbon.2021.07.026
Abstract: Abstract Understanding the acidic characteristics of graphene oxide (GO) and the relating deprotonation and proton transfer behaviors of oxygen-containing functional groups in the water environment is of great significance for the application of GO nanoscale… read more here.
Keywords: theoretical insights; groups water; acidity; graphene oxide ... See more keywords
Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.03.041
Abstract: Abstract It is of high importance to develop high-efficient chemosensors for explosive nitroaromatics and explore their sensing mechanisms. In this work, the sensing mechanisms of a series of arylene-vinylene terpyridine conjugated fluorescent probes (P1-P4) for… read more here.
Keywords: theoretical insights; sensing mechanism; terpyridine; insights sensing ... See more keywords
Experimental and Theoretical Insights into the Effect of Syngas Components on Hg0 Removal over CoMn2O4 Sorbent
Sign Up to like & getrecommendations! Published in 2020 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.0c00251
Abstract: CoMn2O4 spinel sorbent was applied to remove Hg0 in coal-derived syngas. The impacts of syngas components, including H2S, H2, CO, HCl and H2O, on Hg0 abatement were examined. Moreover, the Hg0 remo... read more here.
Keywords: sorbent; insights effect; experimental theoretical; comn2o4 ... See more keywords
Experimental and Theoretical Insights into the Structure of Tellurium Chloride Glasses.
Sign Up to like & getrecommendations! Published in 2018 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b02868
Abstract: The structure of the binary chalcohalide glasses Te1- xCl x (0.35 ≤ x ≤ 0.65) is considered by combining experimental and theoretical results. The structural network properties are influenced by a competition between ionic and… read more here.
Keywords: tellurium chloride; theoretical insights; insights structure; experimental theoretical ... See more keywords
Theoretical Insights into the Geometrical Evolution, Photoelectron Spectra, and Vibrational Properties of YGen– (n = 6–20) Anions: From Y-Linked to Y-Encapsulated Structures
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c03983
Abstract: The structural evolution behavior of germanium anionic clusters doped with the rare-earth metal yttrium, YGen– (n = 6–20), has been investigated using a mPW2PLYP density functional scheme and an ABCluster structure searching technique. The results… read more here.
Keywords: photoelectron spectra; evolution photoelectron; theoretical insights; geometrical evolution ... See more keywords
Theoretical insights into a colorimetric azo-based probe to detect copper ions
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra02468f
Abstract: In the present study, a colorimetric azobenzene-based probe (AZO 1) was reported that exhibits high selectivity toward Cu2+ and undergoes a red to yellow colour change upon its detection. Density functional theory (DFT) calculations were… read more here.
Keywords: colour change; probe; insights colorimetric; based probe ... See more keywords
Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation.
Sign Up to like & getrecommendations! Published in 2021 at "Dalton transactions"
DOI: 10.1039/d1dt01900g
Abstract: Efficient separation of neptunium and plutonium from spent nuclear fuel is essential for advanced nuclear fuel cycles. At present, the development of effective actinide separation ligands has become a top priority. As common adsorbents for… read more here.
Keywords: separation; based adsorbents; amidoxime based; neptunium plutonium ... See more keywords
Experimental and theoretical insights on the formation of weak hydrogen bonds and H···H bonding interactions in the solid-state structure of two eucalyptol derivatives
Sign Up to like & getrecommendations! Published in 2022 at "New Journal of Chemistry"
DOI: 10.1039/d2nj00428c
Abstract: Two eucalyptol derivatives, namely 1,3,3-trimethyl-2-oxabicycle[2.2.2]oct-5-yl acetate (4) and 1,3,3-trimethyl-2-oxabicycle[2.2.2]oct-5,8-yl acetate (6) have been synthesized and characterized. Their crystal structures have been solved by single-crystal X-ray diffraction methods indicating that the... read more here.
Keywords: theoretical insights; formation weak; insights formation; two eucalyptol ... See more keywords
The radical scavenging activity of 4-mercaptoimidazole: Theoretical insights into the mechanism, kinetics and solvent effects
Sign Up to like & getrecommendations! Published in 2023 at "New Journal of Chemistry"
DOI: 10.1039/d3nj01800h
Abstract: 4-mercaptoimidazole (4MC) is related to natural ovothiols known to be potent radical scavengers. In spite of early reports of its good antioxidant activity, 4MC attracted little attention thus far. In... read more here.
Keywords: mercaptoimidazole theoretical; activity mercaptoimidazole; scavenging activity; theoretical insights ... See more keywords
Theoretical Insights for Improving the Schottky-Barrier Height at the Ga2O3/Pt Interface
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review Applied"
DOI: 10.1103/physrevapplied.16.064064
Abstract: In this work we study the Schottky barrier height (SBH) at the junction between β-Ga2O3 and platinum, a system of great importance for the next generation of high-power and high-temperature electronic devices. Specifically, we obtain… read more here.
Keywords: barrier height; theoretical insights; sbh; interface ... See more keywords