Resonant Electron Tunneling Induces Isomerization of π‐Expanded Oligothiophene Macrocycles in a 2D Crystal
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DOI: 10.1002/advs.202200557
Abstract: Macrocyclic oligothiophenes and their π‐expanded derivatives constitute versatile building blocks for the design of (supra)molecularly engineered active interfaces, owing to their structural, chemical, and optoelectronic properties. Here, it is demonstrated how resonant tunneling effect induces… read more here.
Keywords: resonant electron; tunneling induces; isomerization; expanded oligothiophene ... See more keywords
Palladium‐Catalyzed Isomerization/(Cyclo)carbonylation of Pentenamides: a Mechanistic Study of the Chemo‐ and Regioselectivity
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DOI: 10.1002/cctc.201700345
Abstract: A new isomerizing ring‐closing amidocarbonylation reaction is reported using Pd catalysis with bulky diphosphane ligands. From terminal as well as internal pentenamide isomers (PAs), cyclic imides were obtained in good yield (92 %) with cationic Pd… read more here.
Keywords: isomerization cyclo; regioselectivity; study; isomerization ... See more keywords
A General Strategy for Open‐Flask Alkene Isomerization by Ruthenium Hydride Complexes with Non‐Redox Metal Salts
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DOI: 10.1002/cctc.201700687
Abstract: A homogenous metal hydride (M−H) catalyst for isomerization normally requires rigorous air‐free techniques. Here, we demonstrate a highly efficient protocol in which simple non‐redox metal ions as Lewis acids can promote olefin isomerization dramatically with… read more here.
Keywords: non redox; hydride; redox metal; open flask ... See more keywords
Comparison of Various Phosphine Additives in Zeolite Based Catalytic Isomerization of Oleic Acid
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DOI: 10.1002/ejlt.201800070
Abstract: Isostearic acids (ISA) are important bio‐based ingredients for many commercial products such as lubricants, detergents, and cosmetics. This study is targeted to compare the efficacy of various phosphine derivatives in neutralizing the external acidic surface… read more here.
Keywords: phosphine additives; zeolite; phosphine; various phosphine ... See more keywords
Enhanced Solubility and Reduced Crystallinity of Carotenoids, β‐Carotene and Astaxanthin, by Z‐Isomerization
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DOI: 10.1002/ejlt.201800191
Abstract: The impact of the Z‐isomer content of carotenoids, β‐carotene and astaxanthin, on their solubility in organic solvents and crystallinity is investigated. Carotenoid samples containing different Z‐isomer contents are prepared from the high‐purity all‐E‐isomers by the… read more here.
Keywords: crystallinity; isomer; isomerization; carotenoids carotene ... See more keywords
The Effects of Proline Isomerization on the Solvation Behavior of Elastin-Like Polypeptides in Water-Ethanol Mixtures.
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DOI: 10.1002/marc.202100907
Abstract: Elastin-like polypeptides (ELPs) are well-known proline-rich stimulus-responsive polymers. They have broad applications ranging from drug delivery to green chemistry. Recently we have shown that the cis/trans proline isomerization can be used to regulate their conformational… read more here.
Keywords: behavior; water; isomerization; proline isomerization ... See more keywords
Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off‐Nucleus Isotropic Magnetic Shielding
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DOI: 10.1002/open.202100202
Abstract: Abstract Off‐nucleus isotropic magnetic shielding (σ iso(r)) and multi‐points nucleus independent chemical shift (NICS(0‐2 Å)) index were utilized to find the impacts of the isomerization of gas‐phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional… read more here.
Keywords: aromaticity; isotropic magnetic; isomerization; bonding aromaticity ... See more keywords
OCS isomerization and dissociation kinetics from statistical models
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DOI: 10.1007/s00214-018-2253-9
Abstract: AbstractIn this work computational modeling of the isomerization reactions of the linear OCS, CSO, COS, and the cyclic Δ-OCS structures, on the ground state Potential Energy Surface (PES), is performed using Rice–Ramsperger–Kassel–Marcus (RRKM), Semiclassical Transition… read more here.
Keywords: isomerization dissociation; ocs isomerization; dissociation; dissociation kinetics ... See more keywords
Theoretical study of the photochemical isomerization process of perfluoroaryltetrahedrane to perfluoroarylcyclobutadiene mediated by 9,10-dicyanoanthracene
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DOI: 10.1007/s00214-019-2459-5
Abstract: The photoisomerization process between tetrahedrane (THD) and cyclobutadiene (CBD) has attracted tremendous attention during the past two decades due to its potential application toward designing new materials. Recently, an experimental study found that perfluoroaryl-substituted tetrahedrane… read more here.
Keywords: perfluoroaryltetrahedrane; study; isomerization; isomerization process ... See more keywords
Ligand stabilized transient “MNC” and its influence on MNC → MCN isomerization process: a computational study (M = Cu, Ag, and Au)
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DOI: 10.1007/s00214-019-2532-0
Abstract: A theoretical investigation of the binding ability of different ligands [L = CO, H2O, H2S, N2, NH3, 1,3-dimethylimidazole (DMI), C2H2 and C2H4] with metal isocyanide and cyanide (MNC and MCN; M = Cu, Ag, Au) compounds has been carried… read more here.
Keywords: mnc mcn; mcn; isomerization; lmcn lmcn ... See more keywords
Understanding the pathway and kinetics of aspartic acid isomerization in peptide mapping methods for monoclonal antibodies
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DOI: 10.1007/s00216-021-03176-z
Abstract: Isomerization of aspartic acid (Asp) in therapeutic proteins could lead to safety and efficacy concerns. Thus, accurate quantitation of various Asp isomerization along with kinetic understanding of the variant formations is needed to ensure optimal… read more here.
Keywords: aspartic acid; understanding pathway; isomerization; pathway kinetics ... See more keywords