Exploring the Mechanism of the Palladium-Catalyzed 3-Butene-2-ol Amination Reaction: A DFT Study
Frontiers in Chemistry, 2020 Palladium-catalyzed asymmetric allylic substitution, due to its valuable reactive profile, has become a quite useful tool in organic synthesis fields.
Lingshan Lyu +4 more
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Antibodies targeting enzyme inhibition as potential tools for research and drug development
Biomolecular Concepts, 2021 Antibodies have transformed biomedical research and are now being used for different experimental applications. Generally, the interaction of enzymes with their specific antibodies can lead to a reduction in their enzymatic activity.
Pérez de la Lastra José Manuel +5 more
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Synthesis and structure elucidation of novel pyrazolyl-2-pyrazolines obtained by the reaction of 3-(3-aryl-3-oxopropenyl)chromen-4-ones with phenylhydrazine [PDF]
, 2012 Novel 3-aryl-5-{4-[5-(2-hydroxyphenyl)-1-phenylpyrazolyl]}-2-pyrazolines 2a-g have been prepared by the treatment of 3-(3-aryl-3-oxopropenyl)chromen-4-ones 1a-g with phenylhydrazine in refluxing acetic acid. NMR studies on deuteriochloroform solutions of
Jeko, József +3 more
core +1 more source
The Role of Torsional Dynamics on Hole and Exciton Stabilization in π‐Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial Bifluorene [PDF]
, 2018 Exciton and charge delocalization across π‐stacked assemblies is of importance in biological systems and functional polymeric materials. To examine the requirements for exciton and hole stabilization, cofacial bifluorene (F2) torsionomers were designed ...
Cai, Jin-Zhe +6 more
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Green Synthesis and Catalysis, 2020 R-2-Bromobutyric acid is a very important intermediate for the synthesis of agrochemicals and pharmaceuticals. Bioresolution of rac-2-bromobutyric acid (rac-2-BBA) provides a promising process for R-2-bromobutyric acid (R-2-BBA) production.
Shu Wang +6 more
doaj +1 more source
Nature Communications, 2021 Although enterovirus D68 poses a major global threat to children, neither vaccines nor therapeutics are currently available. Using Cryo-EM, Zhang et al.
Chao Zhang +10 more
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Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Comparison [PDF]
, 2011 Knowledge of the relative stabilities of alane (AlH3) complexes with electron donors is essential for identifying hydrogen storage materials for vehicular applications that can be regenerated by off-board methods; however, almost no thermodynamic data ...
Ashby F. C. +39 more
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Full three-dimensional morphology evolution of amorphous thin films for atomic layer deposition
AIP Advances, 2018 We introduce a Monte Carlo model based on random deposition and diffusion limited aggregation in order to study the morphological evolution of deposition of nanofilm, which is difficult to carry out by the experimental methods.
Lingpeng Jin +3 more
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Evidence for the weak steric hindrance scenario in the supercooled-state reorientational dynamics
, 2005 We use molecular-dynamics computer simulations to study the translational and reorientational dynamics of a glass-forming liquid of dumbbells. For sufficiently elongated molecules the standard strong steric hindrance scenario for the rotational dynamics ...
Angel J. Moreno +4 more
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"Breakthrough" osmosis and unusually high power densities in Pressure-Retarded Osmosis in non-ideally semi-permeable supported membranes [PDF]
, 2017 Osmosis is the movement of solvent across a membrane induced by a solute-concentration gradient. It is very important for cell biology. Recently, it has started finding technological applications in the emerging processes of Forward Osmosis and Pressure ...
Yaroshchuk, Andriy
core +3 more sources