Phosphorus is an element of primary importance for all living creatures, being present in many biological activities in the form of phosphate (PO43-). However, there are still open questions about…
With the growing importance of climate change, soot emissions from engines have been receiving increasing attention since black carbon is the second largest source of global warming. A sooting tendency…
Catalytic hydrogenation of esters is a sustainable approach for the production of fine chemicals, and pharmaceutical drugs. However, the efficiency and cost of catalysts are often the bottlenecks in the…
The utilization of renewable electricity for power-to-gas (PtG) applications induces fluctuations in the H2 availability from water electrolysis. For subsequent methanation of CO or CO2 the unsteady-state operation of the…
The behavior of proteins is closely related to the protonation states of the residues. Therefore, prediction and measurement of pKa are essential to understand the basic functions of proteins. In…
Novel halogen ring-disubstituted propyl 2-cyano-3-phenyl-2-propenoates, RPhCH=C(CN)CO2C3H7 (where R is 2-fluoro-5-methyl, 3-iodo-4-methoxy, 5-iodo-2-methoxy, 3,5-dichloro, 3,4-difluoro, 3,5-difluoro, 2-chloro-4-fluoro, 2-chloro-6-fluoro, 3-chloro-2-fluoro, and 3-chloro-4-fluoro) were prepared and copolymerized with styrene. The propenoates were synthesized…
Application of data science and machine learning (ML) techniques in the domain of materials science has been increasing by leaps and bounds recently. With the help of ML, through input…
Herein we {perform|carry out|execute} a seven-step chemical synthesis of aDNA-encoded macrocycle library (DEML) on DNA. Inspired bypolyketide and mixed peptide-polyketide {natural|all-natural|organic} {products|goods|items|merchandise|solutions}, the librarywas {designed|developed|created|made} to incorporate {rich|wealthy} backbone diversity.…
The thionolactone 3,3-dimethyl-2,3-dihydro-5H-benzodioxepine-5-thione (DBT) is shown to homopolymerize and, for the first time, copolymerize with styrene and methacrylates, introducing degradable thioester backbone functionality. The rapid copolymerization with styrene was exploited…
While QM/MM studies of enzymatic reactions are widely used in computational chemistry, the results of such studies are subject to numerous sources of uncertainty, and the effect of different choices…