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Influence of the Greater Protein Environment on the Electrostatic Potential in Metalloenzyme Active Sites: the Case of Formate Dehydrogenase

Chemexpress November 20, 2024 0 Comments

The Mo/W containing metalloenzyme formate dehydrogenase (FDH) is an efficient and selective natural catalyst which reversibly converts CO2 to formate under ambient conditions. A greater understanding of the role of…

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Novel copolymers of vinyl acetate. 2. Oxy ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates

Chemexpress November 19, 2024 0 Comments

Novel copolymers of vinyl acetate and oxy ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates, RPhCH=C(CN)CO2C2H5 (where R is 2-methoxy, 3-methoxy, 4-methoxy, 2-ethoxy, 4-ethoxy, 4-propoxy, 4-butoxy, 2,3-dimethoxy, 2,4-dimethoxy, 2,5-dimethoxy, 3,4-dimethoxy, 2,3,4-trimethoxy, 2,4,5-trimethoxy, 2,4,6-trimethoxy, 3,4,5-trimethoxy) were…

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Formation Mechanism of a Nonterrestrial C6H Radical: An Ab Initio/RRKM Study {on the|around the} Reaction of Tetracarbon with Acetylene

Chemexpress November 19, 2024 0 Comments

This study examined the formation mechanisms of singlet (rhombic) and triplet (linear) C4 with acetylene {by using|by utilizing} {accurate|correct|precise} ab initio CCSD(T)/cc-pVTZ/B3LYP/6-311G(d,p) calculations, followed by a kinetic {analysis|evaluation} of {various|numerous|different|a…

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Quantitative Structure Activity Relationship (QSAR) study predicts small molecule binding to RNA structure

Chemexpress November 19, 2024 0 Comments

The diversity of RNA structural elements and their documented role in human diseases make RNA an attractive therapeutic target. However, progress in drug discovery and development has been hindered by…

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Discovery of Innovative Polymers for Next-Generation Gas-Separation Membranes using Interpretable Machine Learning

Chemexpress November 19, 2024 0 Comments

Polymer membranes perform innumerable separations with far-reaching environmentalimplications. Despite decades of research on membrane technologies, design of new membranematerials remains a largely Edisonian process. To address this shortcoming, we demonstrate…

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2-Bromo-1-(2,6-dichlorophenyl)ethanone (CAS 81547-72-0)

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2-Benzylpyridine (CAS 101-82-6)

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2-Benzylaminoethanol (CAS 104-63-2)

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2-Benzoylnaphthalene (CAS 644-13-3)

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