Results 51 to 60 of about 443,970 (323)
Comparative study of the electron conduction in azulene and naphthalene [PDF]
, 2008 We have studied the feasibility of electron conduction in azulene molecule and compared with that in its isomer naphthalene. We have used non-equilibrium Green's function formalism to measure the current in our systems as a response of the external ...
Dutta, Sudipta +2 more
core +2 more sources
Noncomparative scaling of aromaticity through electron itinerancy
AIP Advances, 2015 Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is
Satadal Paul +2 more
doaj +1 more source
Synthesis and Properties of NitroHPHAC: The First Example of Substitution Reaction on HPHAC
Molecules, 2020 Hexapyrrolohexaazacoronene (HPHAC) is one of the N-containing polycyclic aromatic hydrocarbons in which six pyrroles are fused circularly around a benzene.
Yoshiki Sasaki +3 more
doaj +1 more source
Theoretical Study of the Geometry of Dibenzoazepine Analogues
Molecules, 2022 The geometry of dibenzoazepine analogues—typical multifunctional drugs—was investigated to find the geometrical parameters sensitive to the substitution of the central seven-membered ring.
Małgorzata Szymańska, Irena Majerz
doaj +1 more source
The biogeochemistry of carbon across a gradient of streams and rivers within the Congo Basin [PDF]
, 2014 Dissolved organic carbon (DOC) and inorganic carbon (DIC and pCO2), lignin biomarkers and the optical properties of dissolved organic matter (DOM) were measured in a gradient of streams and rivers within the Congo Basin (Republic of Congo), with the aim ...
Aerts +66 more
core +1 more source
Trimetallic Chalcogenide Species: Synthesis, Structures, and Bonding
Molecules, 2022 In an attempt to isolate boron-containing tri-niobium polychalcogenide species, we have carried out prolonged thermolysis reactions of [Cp*NbCl4] (Cp* = ɳ5-C5Me5) with four equivalents of Li[BH2E3] (E = Se or S). In the case of the heavier chalcogen (Se),
Sourav Kar +3 more
doaj +1 more source
The principle underlying antiaromaticity
, 2019 Aromaticity is one of the most widely used chemical concepts. Current definitions are purely phenomenological and relate symmetry, reactive stability and the occurence of molecular diamagnetic response currents.
Berger, Raphael J. F., Viel, Alexandre
core +1 more source
Peptide‐based ligand antagonists block a Vibrio cholerae adhesin
FEBS Letters, EarlyView.The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang +9 more
wiley +1 more source
Dual Aromaticity in Both the T0 and S1 States: Osmapyridinium with Phosphonium Substituents.
Journal of the American Chemical Society, 2019 According to Hückel's and Baird's rules, cyclic conjugated species are aromatic either in the ground state or in the excited state only. Thus, species with aromaticity in both states (denoted as adaptive aromaticity) are particularly rare.
Ting Shen, Dandan Chen, Lu Lin, Jun Zhu
semanticscholar +1 more source
Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing
FEBS Letters, EarlyView.Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley +1 more source