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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27047
Abstract: A class of adamantane‐like molecular materials attracts attention because they exhibit an extreme non‐linear optical response and emit a broad white‐light spectrum after illumination with a continuous‐wave infrared laser source. According to recent studies, not…
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Keywords:
core;
cluster dimers;
adamantane like;
core core ... See more keywords
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Published in 2019 at "Advances in experimental medicine and biology"
DOI: 10.1007/978-3-030-14265-0_8
Abstract: In recent years, a growing number of studies have implicated the coordinated action of NPC1 and NPC2 in intralysosomal transport and efflux of cholesterol. Our current understanding of this process developed with just over two…
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Keywords:
cholesterol binding;
transport;
insights molecular;
cholesterol ... See more keywords
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Published in 2018 at "3 Biotech"
DOI: 10.1007/s13205-018-1470-1
Abstract: Agarases (agarose 4-glycanohydrolase; EC 3.2.1.81) are class of enzymes that belong to glycoside hydrolase (GH) family capable of hydrolyzing agar. Their classification depends on hydrolysis pattern and product formation. Among all the agarases, β-agarases and…
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Keywords:
biochemical physiochemical;
characteristics recombinant;
insights molecular;
agarases insights ... See more keywords
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Published in 2017 at "Actas dermo-sifiliograficas"
DOI: 10.1016/j.ad.2016.12.001
Abstract: Angiogenesis is the growth of new blood vessels from pre-existing vessels. It is a biological process essential in physiological wound healing or pathological inflammation and tumor growth, which underlies a complex interplay of stimulating and…
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Keywords:
dermatology insights;
angiogenesis;
dermatology;
insights molecular ... See more keywords
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Published in 2017 at "Chem"
DOI: 10.1016/j.chempr.2017.08.007
Abstract: Liang-Yan Hsu is an assistant research fellow at the Institute of Atomic and Molecular Science. He earned his PhD from Princeton University (2015) and was a postdoctoral fellow at Northwestern University (2017). His research focuses…
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Keywords:
reaction new;
research;
molecular electronics;
chemistry ... See more keywords
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Published in 2019 at "Journal of colloid and interface science"
DOI: 10.1016/j.jcis.2019.06.017
Abstract: HYPOTHESIS A reliable modelling approach is required for simultaneous characterisation of static and dynamic properties of bulk and interfacial ionic liquids (ILs). This is a prerequisite for a successful investigation of experimentally inaccessible, yet important…
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Keywords:
molecular dynamics;
vacuum interfaces;
insights molecular;
solid vacuum ... See more keywords
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Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c02605
Abstract: A pair of bimetallic compounds featuring Fe-Fe bonds, [Fe(iPrNPPh2)3FeR] (R = PMe3, ≡NtBu), have been investigated using High-Frequency Electron Paramagnetic Resonance (HFEPR) as well as field- and temperature-dependent 57Fe nuclear γ resonance (Mössbauer) spectroscopy. To…
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Keywords:
insights molecular;
metal;
metal metal;
bonded systems ... See more keywords
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Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.7b00476
Abstract: Use of chemical pollutants, including pesticides and other industrial chemicals, has resulted in significant risks to the whole ecosystem. Therefore, ecological risk assessment of chemicals is vital and necessary. Since the honey bee (Apis mellifera)…
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Keywords:
toxicity;
insights molecular;
honey bee;
chemical hbt ... See more keywords
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Published in 2022 at "Chemical communications"
DOI: 10.1039/d1cc06310c
Abstract: Reaction of 1,3,4,6-tetra-O-acetyl-N-(2-hydroxy)-naphthylidene glucosamine (HL(Ac)) with uranyl acetate in ethanol leads to formation of dinuclear [(UO2)2(L)2] (1). In a second step 1 is quantitatively transferred into the trinuclear oxo-bridged complex [(UO2)3(μ3-O)(L)3]2- (22-) via deprotonation and…
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Keywords:
level formation;
insights molecular;
oxo bridged;
formation ... See more keywords
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Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc01226j
Abstract: Molecular metal chalcogenides have attracted great attention as electrocatalysts for the hydrogen evolution reaction (HER). However, efficient utilisation of the active sites and catalytic performance modulation has been challenging. Here we explore the design of…
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Keywords:
metal polyselenides;
molecular metal;
hydrogen;
insights molecular ... See more keywords
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Published in 2020 at "Molecular Simulation"
DOI: 10.1080/08927022.2019.1691203
Abstract: ABSTRACT Xanthones from natural and synthetic origins have shown interesting diverse pharmacological activities. This study aims to assess the in silico and in vitro activities of new synthetic xanthones as inhibitors of acetylcholinesterase enzyme (AChE).…
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Keywords:
ache;
molecular basis;
insights molecular;
basis acetylcholinesterase ... See more keywords