Results 191 to 200 of about 49,832 (253)

Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules. [PDF]

Sci Rep
Shiroudi A, Śmiechowski M, Czub J, Abdel-Rahman MA.   +3 more
europepmc   +1 more source

Divergent Synthesis of Möbius and Hückel N‐Heterocycloarenes From a Common Macrocyclic Backbone

Angewandte Chemie, EarlyView.
In the divergent synthesis of Möbius and Hückel N‐heterocycloarenes from a common macrocyclic precursor, the annulation reaction dictates topology: Scholl reaction gives Möbius topology, while InCl3‐mediated alkyne annulation gives Hückel topology. The Möbius N‐heterocycloarene is unevenly contorted as revealed by crystal structure, and the Hückel N ...
Han Chen, Huishu Ma, Daiyue Yang, Zheng Zhou, Xiao Chen, Zhifeng Huang, Qian Miao   +6 more
wiley   +1 more source

Introducing Diradicaloid Thiele's Hydrocarbon Derivatives as Ligand in Transition Metal Chemistry

Angewandte Chemie, EarlyView.
N‐doped Thiele's hydrocarbon derivative is introduced as a ligand for the synthesis of mono‐ and bimetallic rhodium complexes as well as cyclometalated iridium complexes. These compounds constitute the first metal complexes based on a Thiele's hydrocarbon (or p‐quinodimethane) derivative and, to the best of our knowledge, the first cyclometalated ...
Alok Mahata, Nicolás. I. Neuman, Biprajit Sarkar   +2 more
wiley   +1 more source

Schiff Bases Derived from Pyridoxal 5'-Phosphate and 2-X-Phenylamine (X = H, OH, SH): Substituent Effects on UV-Vis Spectra and Hydrolysis Kinetics. [PDF]

Molecules
Zavalishin MN, Kiselev AN, Gamov GA.
europepmc   +1 more source

Supramolecular Polymerization and Morphological Transformation of Dynamic Helical Poly(Phenylacetylene)s via Chain‐End Host–Guest Interactions

Angewandte Chemie, EarlyView.
A helical polymer whose chain ends are connected through pillar[5]arene‐based host–guest interactions translates molecular helicity into supramolecular morphology. Solvent‐triggered helicity inversion accompanied by changes in chain rigidity switches the supramolecular architecture between cyclic and rigid‐rod nanostructures.
Tatsuya Nishimura, Haru Nozue, Feng Li, Tomoki Ogoshi, Katsuhiro Maeda   +4 more
wiley   +1 more source

Light‐Controlled Modulation of 15‐Lipoxygenase‐1 Regulates Intestinal Inflammatory Signaling

Angewandte Chemie, EarlyView.
The developed target‐guided strategy enables the rational design of diazo‐based photoswitchable inhibitors of 15‐lipoxygenase‐1. Distinct molecular architectures program opposite light‐dependent activity, allowing on‐demand control of enzyme inhibition.
Anastasia Louka, Eirini‐Eleni Kalaitzaki, Athanasios Panousis, Sotirios Bonoras, Charalampos Livas, George Froudakis, Ioannis Drygiannakis, Athina Damianaki, George Kolios, Vassilis Valatas, Nikolaos Eleftheriadis   +10 more
wiley   +1 more source

Fundamental Understanding of Oxidative Stability in Fluorinated Asymmetric Ethers for Li Batteries

Angewandte Chemie, EarlyView.
To improve Li‐metal battery electrolytes, we analyze fluorinated 1‐ethoxy‐2‐methoxyethane (FxEME) oxidative stability via density functional theory (DFT) and molecular dynamics (MD). Fluorination strengthens ethoxy C–H bonds and alters solvent orientation at the cathode, weakening interfacial interactions.
Liang‐Ting Wu, Norio Takenaka, Jyh‐Chiang Jiang, Atsuo Yamada   +3 more
wiley   +1 more source

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Effect of meta-substituents of phenolic antioxidants—proposal of secondary substituent effect

Polymer Degradation and Stability, 2002
Abstract Phenolic antioxidants were studied extensively in the 1960s. During that time, the action mechanism might have seemed to be clarified completely. Based on our recent study, however, there remain some unclear points on the interpretation of substituent effects.
Yasukazu Ohkatsu
exaly   +2 more sources

The concept of substituent-induced force in the rationale of substituent effect

The Journal of Chemical Physics, 2021
Controlling the thermochemistry and kinetics of chemical reactions is a central problem in chemistry. Among factors permitting this control, the substituent effect constitutes a remarkable example. Here, we develop a model accounting for the effect of a substituent on the potential energy surface of the substrate (i.e., substituted molecule).
Miguel Ángel Fernández-González, Luis Manuel Frutos   +1 more
openaire   +2 more sources

Substituent Effects in the Synthesis of Heterostructures

Inorganic Chemistry, 2021
There have been a number of surprising reports of unexpected products when preparing heterostructures of Bi2Se3 with other 2D layers. These reports prompted us to explore the formation of metastable heterostructures containing Bi2Se3 using X-ray diffraction techniques to follow the reaction pathway.
Marisa A. Choffel, Taryn Mieko Kam, David C. Johnson   +2 more
openaire   +2 more sources