Results 61 to 70 of about 68,518 (201)

Tuning of the Electrostatic Potentials on the Surface of the Sulfur Atom in Organic Molecules: Theoretical Design and Experimental Assessment

open access: yesMolecules, 2023
Noncovalent sulfur interactions are ubiquitous and play important roles in medicinal chemistry and organic optoelectronic materials. Quantum chemical calculations predicted that the electrostatic potentials on the surface of the sulfur atom in organic ...
Ziyu Wang, Weizhou Wang, Hai-Bei Li
doaj   +1 more source

Halogen Bonding in Nucleic Acid Complexes

open access: yes, 2017
Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information has
Kolář, Michal H., Tabarrini, Oriana
core   +1 more source

The N-terminal shuttle domain of Erv1 determines the affinity for Mia40 and mediates electron transfer to the catalytic Erv1 core in yeast mitochondria [PDF]

open access: yes, 2010
Erv1 and Mia40 constitute the two important components of the disulfide relay system that mediates oxidative protein folding in the mitochondrial intermembrane space. Mia40 is the import receptor that recognizes the substrates introducing disulfide bonds
Aivaliotis, M.   +3 more
core   +1 more source

Dual Modulation of Single Molecule Conductance via Tuning Side Chains and Electric Field with Conjugated Molecules Entailing Intramolecular O•••S Interactions

open access: yesAdvanced Science, 2022
Herein, single‐molecule conductance studies of TBT1‐TBT6 which entails 1,4‐dithienylbenzene as the backbone and SMe groups as the anchoring units, with the scanning tunneling microscope break junction (STM‐BJ) technique, are reported.
Hua Zhang   +7 more
doaj   +1 more source

Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons

open access: yesMolecules, 2021
Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated.
Wiktor Zierkiewicz   +2 more
doaj   +1 more source

Small Molecules, Non-Covalent Interactions, and Confinement

open access: yesMolecules, 2020
This review gives an overview of current trends in the investigation of small guest molecules, confined in neat and functionalized mesoporous silica materials by a combination of solid-state NMR and relaxometry with other physico-chemical techniques. The
Gerd Buntkowsky, Michael Vogel
doaj   +1 more source

Association Complexes of Calix[6]arenes with Amino Acids Explained by Energy-Partitioning Methods

open access: yesMolecules, 2022
Intermolecular complexes with calixarenes are intriguing because of multiple possibilities of noncovalent binding for both polar and nonpolar molecules, including docking in the calixarene cavity.
Emran Masoumifeshani   +3 more
doaj   +1 more source

A thorough anion-π interaction study in biomolecules:On the importance of cooperativity effects [PDF]

open access: yes, 2016
Noncovalent interactions have a constitutive role in the science of intermolecular relationships, particularly those involving aromatic rings such as π-π and cation-π.
Alkorta   +58 more
core   +2 more sources

Assembly of Sn(IV)-Porphyrin Cation Exhibiting Supramolecular Interactions of Anion···Anion and Anion···π Systems

open access: yesMolbank, 2022
Trans-diaqua[meso-tetrakis(4-pyridyl)porphyrinato]Sn(IV) dinitrate complexes were assembled in a two-dimensional manner via hydrogen bonding between aqua ligands and pyridyl substituents.
Hee-Joon Kim
doaj   +1 more source

The Bis(ferrocenyl)phosphenium Ion Revisited [PDF]

open access: yes, 2019
The bis(ferrocenyl)phosphenium ion, [Fc2P]+, reported by Cowley et al. (J. Am. Chem. Soc. 1981, 103, 714–715), was the only claimed donor‐free divalent phosphenium ion.
Beckmann, Jens   +4 more
core   +1 more source

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