Results 11 to 20 of about 71,492 (345)

Bilirubin Oxidase from Myrothecium verrucaria Physically Absorbed on Graphite Electrodes. Insights into the Alternative Resting Form and the Sources of Activity Loss. [PDF]

open access: yesPLoS ONE, 2015
The oxygen reduction reaction is one of the most important chemical processes in energy converting systems and living organisms. Mediator-less, direct electro-catalytic reduction of oxygen to water was achieved on spectrographite electrodes modified by ...
Federico Tasca   +4 more
doaj   +6 more sources

Halogen-Containing Drugs in 2025: A Record Year for the Therapeutic Use and Synthesis of FDA-Approved Small Molecules [PDF]

open access: yesBiomolecules
Halogens, particularly fluorine, chlorine, and bromine, play a pivotal role in modern drug discovery and development. Their incorporation into drug molecules significantly influences physicochemical properties, including lipophilicity, metabolic ...
Davide Benedetto Tiz   +4 more
doaj   +2 more sources

Halogen–Halogen Nonbonded Interactions [PDF]

open access: yesACS Omega, 2021
Halogen-halogen nonbonded interactions were studied for methyl halides and phenyl halides using both B3LYP and MP2 along with 6-311+G* and aug-cc-pVTZ. With the methyl halides, the linear approach was found to lead to little stabilization, whereas the "90°" approach gave 1-2 kcal/mol. This modest stabilization was due to long-range electron correlation
openaire   +3 more sources

Dynamic and Static Nature of XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) in the Distorted π-System of Corannulene Elucidated with QTAIM Dual Functional Analysis

open access: yesMolecules, 2023
The dynamic and static nature of the XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) interactions in the distorted π-system of corannulene (π(C20H10)) is elucidated with a QTAIM dual functional analysis (QTAIM-DFA), where asterisks emphasize the ...
Satoko Hayashi   +3 more
doaj   +1 more source

Halogen Enrichment of Siberian Traps Magmas During Interaction With Evaporites

open access: yesFrontiers in Earth Science, 2021
Volatile emissions to the atmosphere associated with the Siberian Traps eruptions at the Permian-Triassic boundary were sourced from the outgassing of primary magmas and the sedimentary host rocks into which they were intruded. Halogens in volcanic gases
Svetlana Sibik   +6 more
doaj   +1 more source

Type II halogen···halogen contacts are halogen bonds [PDF]

open access: yesIUCrJ, 2013
Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
METRANGOLO, PIERANGELO   +1 more
openaire   +4 more sources

Halogen-Based 17β-HSD1 Inhibitors: Insights from DFT, Docking, and Molecular Dynamics Simulation Studies

open access: yesMolecules, 2022
The high expression of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) mRNA has been found in breast cancer tissues and endometriosis. The current research focuses on preparing a range of organic molecules as 17β-HSD1 inhibitors.
Arulsamy Kulandaisamy   +7 more
doaj   +1 more source

Kinetics of the Reactions of Ozone with Halogen Atoms in the Stratosphere

open access: yesAtmosphere, 2021
It is well established that reaction cycles involving inorganic halogens contribute to the depletion of ozone in the atmosphere. Here, the kinetics of O3 with halogen atoms (Cl, Br, and I) were investigated between 180 and 400 K, expanding the ...
S. Vijayakumar   +2 more
doaj   +1 more source

Co-emission of volcanic sulfur and halogens amplifies volcanic effective radiative forcing [PDF]

open access: yesAtmospheric Chemistry and Physics, 2021
The evolution of volcanic sulfur and the resulting radiative forcing following explosive volcanic eruptions is well understood. Petrological evidence suggests that significant amounts of halogens may be co-emitted alongside sulfur in some explosive ...
J. Staunton-Sykes   +11 more
doaj   +1 more source

New Halogen-Containing Drugs Approved by FDA in 2021: An Overview on Their Syntheses and Pharmaceutical Use

open access: yesMolecules, 2022
This review describes the recent Food and Drug Administration (FDA)-approved drugs (in the year 2021) containing at least one halogen atom (covalently bound).
Davide Benedetto Tiz   +5 more
doaj   +1 more source

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