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A scalable electron beam irradiation platform applied for allotropic carbon transformation
(ElsevierAmerican Carbon Society, 2021-04-15)
The design of solid-state materials whose properties and functions can be manipulated in a controlled manner by the application of electron beam irradiation is important in modern materials chemistry and physics. In this ...
Simulating Enzyme Catalysis
(SBE - Sociedad de Biofísica de España, 2016-09)
Chemistry
is about transformations between
compounds as the result of forming and
breaking
bonds between their atoms. A detailed knowledge
of these
processes should open the door to one of the
most desired goals ...
Computational Study of the Phosphoryl Donor Activity of Dihydroxyacetone Kinase from ATP to Inorganic Polyphosphate
(Wiley, 2017-10)
Adenosine triphosphate (ATP) is the main biological phosphoryl donor required in many enzymes including dihydroxyacetone kinases (DHAKs) that convert dihydroxyacetone (Dha) into dihydroxyacetone phosphate (Dha-P), a key ...
Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3
(Wiley, 2017-05)
The design of new biocatalysts is a goal in biotechnology to improve the rate, selectivity and environmental impact of industrial chemical processes. In this regard, the use of computational techniques has provided valuable ...
Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay
(Wiley, 2021-09-22)
The novel [W3S4H3(edpp)3]+ (edpp=(2-aminoethyl)diphenylphosphine) (1+) cluster hydride with an acidic −NH2 functionality has been synthetized and studied. Its crystal structure shows the characteristic incomplete W3S4 ...
Efficient and Selective N‐Methylation of Nitroarenes under Mild Reaction Conditions
(Wiley, 2017)
Herein, we report a straightforward protocol for the preparation of N,N‐dimethylated amines from readily available nitro starting materials using formic acid as a renewable C1 source and silanes as reducing agents. This ...
The embodiment of wastewater data for the estimation of illicit drug consumption in Spain
(Elsevier, 2021)
Data obtained from wastewater analysis can provide rapid and complementary insights in illicit drug
consumption at community level. Within Europe, Spain is an important country of transit of both cocaine and cannabis. The ...
Discovery of a Histidine‐Based Scaffold as an Inhibitor of Gut Microbial Choline Trimethylamine‐Lyase
(Wiley, 2020-08-22)
Anaerobic choline metabolism by human gut microbiota to produce trimethylamine (TMA) has recently evolved as a potential therapeutic target because of its association with chronic kidney disease and increased cardiovascular ...
Nature and Control of Shakeup Processes in Colloidal Nanoplatelets
(American Chemical Society, 2020-10-29)
Recent experiments suggest that the photoluminescence line
width of CdSe nanoplatelets (NPLs) and core/shell CdSe/CdS NPLs may be
broadened by the presence of shakeup (SU) lines from negatively charged
trions. We carry ...
Towards the scale-up of the formation of nanoparticles on α -Ag 2 WO 4 with bactericidal properties by femtosecond laser irradiation
(Nature Publishing Group, 2018)
In recent years, complex nanocomposites formed by Ag nanoparticles coupled to an α-Ag2WO4 semiconductor network have emerged as promising bactericides, where the semiconductor attracts bacterial agents and Ag nanoparticles ...