Results 61 to 70 of about 34,189 (163)

QSAR Studies on Nitrobenzene Derivatives using Hyperpolarizability and Conductor like Screening model as Molecular Descriptors

Journal of the Turkish Chemical Society, Section A: Chemistry, 2022
Quantitative structure-activity relationship (QSAR) models were useful in understanding how chemical structure relates to the toxicology of chemicals. In the present study, we report quantum molecular descriptors using conductor like screening model (COs)
Ahmad NAZİB ALİAS, Zubainun MOHAMED ZABİDİ   +1 more
doaj   +1 more source

Metal phthalocyanine intermediates for the preparation of polymers [PDF]

, 1985
Metal 4, 4', 4"",-tetracarboxylic phthalocyanines (MPTC) are prepared by reaction of trimellitic anhydride, a salt or hydroxide of the desired metal (or the metal in powdered form), urea and a catalyst.
Achar, B. N., Fohlen, G. M., Parker, J. A.   +2 more
core   +1 more source

Methyl on the Bridge: 2‐Methyl Propellane as Precursor for 1,3‐Substituted 2‐Methylated Bicyclo[1.1.1]Pentanes

Chemistry – A European Journal, EarlyView.
The synthesis of 2‐methyl propellane and its conversion to various 1,2‐ and 1,2,3‐di‐ and trisubstituted bicyclopentanes is reported. Abstract Bicyclo[1.1.1]pentanes (BCPs) have emerged as isosteric replacements for mono‐ and para‐substituted benzene rings in medicinal and materials applications, involving substitution at the BCP bridgehead (1,3 ...
Sean R. Verschaeve, Mariana Gomes Manso, Tibo Van Eeckhoorn, Mark E. Light, Bruno Linclau   +4 more
wiley   +1 more source

Proximity Engineering of Fe‒N4 Twins for Oriented Generation of Singlet Oxygen for Hospital Wastewater Treatment

Angewandte Chemie, Volume 138, Issue 12, 16 March 2026.
Precise modulation of Fe–N4 site distances constructs spin‐regulated Fe–N4 twins, triggering a volcano‐type Fenton‐like activity and promoting oriented singlet oxygen generation. The twin‐site catalyst enables highly selective and efficient hospital wastewater purification with simultaneous pharmaceutical degradation and disinfection under low ...
Xinhao Wang, Zhaokun Xiong, Shuai Yang, Hongyu Zhou, Yanbiao Shi, Zelin Wu, Bingkun Huang, Lei Yang, Chuan‐Shu He, Xiaoguang Duan, Bo Lai   +10 more
wiley   +2 more sources

Advanced Oxidation Processes (AOPs) alternative methods for degradation of toxic pollutants from wastewater

Romanian Journal of Ecology & Environmental Chemistry, 2019
The degradation of some toxic pollutants like chlorobenzenes, nitrobenzene and 4-chloroaniline in various advanced oxidation system such as: UV/ H2O2, UV-VIS/Fe-TiO2 and UV-VIS/TiO2/ H2O2 were studied. The influence of working conditions (pH0, H2O2 dose,
Ines Nitoi, Lucian Alexandru Constantin, Ionut Cristea, Mirela Alina Constantin   +3 more
doaj   +1 more source

Photocatalytic Vanadium‐Mediated Amination of Benzene With Hydroxylamine

Chemistry – A European Journal, EarlyView.
Photochemical activation of N‐phenylphenothiazine (PPT) enables a selective direct benzene amination with hydroxylamine in the presence of various vanadium catalysts under mild reaction conditions. Spectroscopic and kinetic analyses identify a key vanadium(IV)‐hydroxylamine intermediate, elucidate the crucial roles of the acidic medium, the ...
Dana Králová, Maximilian Philipp, Matthias Schmalzbauer, Thilo Reiter, Bernd Schäfer, Ruth M. Gschwind, Burkhard König   +6 more
wiley   +1 more source

Surface‐State–Regulated Product Distribution in Photothermal CO2 Hydrogenation Over MXene‐Based S‐Scheme Catalyst

Angewandte Chemie, Volume 138, Issue 12, 16 March 2026.
This work establishes an MXene‐based S‐scheme heterojunction in which the cooperative interplay among metallic Ni, surface NiOx domains, and conductive Ti3C2Clx drives efficient charge separation and photothermal coupling. Progressive evolution of Ni surface states regulates the CH4/CH3OH product distribution by modulating interfacial energetics and ...
Dawid D. Kruger, María Cabrero‐Antonino, Silvio Osella, Feiyan Xu, Jiaguo Yu, Ana Primo, Hermenegildo Garcia   +6 more
wiley   +2 more sources

Solvent extraction of some univalent cations into nitrobenzene solution of dicarbollylcobaltate and extractants containing two or three oxyamide groups

Results in Chemistry
Stability constants of the complexes of some commercially available ligands, containing two or three oxyamide groups in nitrobenzene have been determined from the extraction data.
Petr Vaňura, Pavel Selucký
doaj   +1 more source

Engineered Metal–Organic Frameworks‐Based Materials for Environmental Detection

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Engineered metal–organic frameworks (MOFs) regulated by various material modification strategies are discussed for environmental contaminant detection under different sensing mechanisms, providing future improvements of MOFs in environmental detection. Sensitive and selective detection of contaminants is crucial for environmental protection.
Pan Gao, Song Wang, Yuechao Yao, Yibo Dou   +3 more
wiley   +1 more source

Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory [PDF]

, 2010
Gas to solution phase Gibbs free energies of solvation at 298.15 K for transfer of six representative combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) were calculated at the Gaussian-4 (G4) level of theory using the IEFPCM-UFF ...
Kaya Forest, Sierra Rayne
core   +2 more sources