Results 21 to 30 of about 650 (110)

Anion–π interactions influence pKa values

Beilstein Journal of Organic Chemistry, 2011
Five 8-(4-R-phenyl)-1-naphthol derivatives were prepared by PdCl2-catalysed electrophilic aromatic substitution. The pKa' values for these 1,8-disubstituted arene naphthols have been measured in acetonitrile/water (R = NO2, 8.42; R = Cl, 8.52; R = H, 8 ...
Christopher J. Cadman, Anna K. Croft
doaj   +1 more source

Kinetic evaluation of the solvolysis of isobutyl chloro- and chlorothioformate esters

Beilstein Journal of Organic Chemistry, 2011
The specific rates of solvolysis of isobutyl chloroformate (1) are reported at 40.0 °C and those for isobutyl chlorothioformate (2) are reported at 25.0 °C, in a variety of pure and binary aqueous organic mixtures with wide ranging nucleophilicity and ...
Malcolm J. D’Souza, Matthew J. McAneny, Dennis N. Kevill, Jin Burm Kyong, Song Hee Choi   +4 more
doaj   +1 more source

CORRELATION ANALYSIS OF IR, 1 H- AND 13 C-NMR SPECTRAL DATA OF N-ALKYL AND N-CYCLOALKYL CYANOACETAMIDES [PDF]

Chemical Industry and Chemical Engineering Quarterly, 2011
Linear free energy relationships (LFER) were applied to the IR, 1H- and 13C--NMR spectral data in N-alkyl and N-cycloalkyl cyanoacetamides. N-alkyl and N-cycloalkyl cyanocetamides were synthesized from corresponding amine and ethyl cyanoacetate. A number
Aleksandar D. Marinković, Jelena Nedeljković, Dušan Ž. Mijin, Nataša Ilić, Slobodan D. Petrović   +4 more
doaj  

QSAR Analysis and ADMET Prediction of Tamoxifen Derivatives Using LFER Hansch Model

Pharmaceutical and Biomedical Sciences Journal (PBSJ)
Tamoxifen is a pharmaceutical compound that can be widely used in the therapeutic regimen for breast cancer, particularly for postmenopausal women. Nevertheless, this clinical efficacy is frequently diminished and limited due to the emergence of drug resistance and heterogeneous therapeutic impacts with different degrees of severity.
Andzar Fikranus Shofa, Rawwdha Luthfi Nur Muhammad, Norma Adityaningsih Prameswari, Sendi Handika Putra, Aisyah Afifah Setiawan, Dhia Salsabila Rizki   +5 more
openaire   +1 more source

Steric Control of Photocatalytic Electron Transfer: A Predictive Framework Using Sterimol Parameters

Chemistry – A European Journal, EarlyView.
Multivariate analysis shows a correlation between the steric effects of axial ligands on a silicon phthalocyanine and Stern–Volmer quenching constants. A model was generated that shows KSV values can be predicted for catalysts that were not part of the training set, providing insight into how steric effects govern electron transfer efficiency in ...
Christian J. Harrison, D. M. S. C. Dissanayake, Nicole M. Snyder, Alberto Smith, Grace Greway, Vitaly Rassolov, Aaron K. Vannucci, Sheryl L. Wiskur   +7 more
wiley   +1 more source

Considerations in Pursuing Reaction Scope Generality

Angewandte Chemie, Volume 137, Issue 41, October 6, 2025.
Synthetic methods that are applicable to a broad range of substrates are sought after, owing to their utility in industrial settings. This minireview describes considerations associated with how chemists define and identify general methods, especially with the emergence of modern analytical, high‐throughput, and data science tools in chemistry, and ...
Samson B. Zacate, Juliana A. Dantas, Song Lin, Abigail G. Doyle, Matthew S. Sigman   +4 more
wiley   +2 more sources

Xylose Acetals ‐ a New Class of Sustainable Solvents and Their Application in Enzymatic Polycondensation

ChemSusChem, Volume 18, Issue 6, March 15, 2025.
Novel organic solvents with an unmodified carbohydrate core were synthesised both from D‐xylose and directly from biomass and were successfully used as reaction media for lipase biocatalysts to synthesise aliphatic and aromatic polyesters. Abstract The use of organic solvents in academic research and industry applications is facing increasing ...
Anastasia O. Komarova, Cicely M. Warne, Hugo Pétremand, Laura König‐Mattern, Johannes Stöckelmaier, Chris Oostenbrink, Georg M. Guebitz, Jeremy Luterbacher, Alessandro Pellis   +8 more
wiley   +1 more source

A Tale of Two Heterocycles: How Oxygen and Sulfur Shape Divergent Kemp Reactivity

Journal of Physical Organic Chemistry, Volume 39, Issue 11, November 2026.
Like benzisoxazoles, benzisothiazoles also undergo Kemp elimination, with rates accelerated by aprotic polar solvents and electron‐withdrawing groups. Oxygen‐containing heterocycles exhibit more localized negative charges than sulfur analogs, resulting in a more pronounced catalytic response to these environmental factors. ABSTRACT The Kemp elimination
Ella R. Jennings, Hannah S. Todd, Emilie Perelman, Courtney B. Limehouse, Hunter J. Savage, Marcello Forconi   +5 more
wiley   +1 more source

An Atomically Dispersed Photocatalyst for Undirected para‐Selective C─H Bond Functionalizations

Angewandte Chemie, Volume 137, Issue 33, August 11, 2025.
This study presents an atomically dispersed recyclable heterogeneous photocatalytic method for para‐selective trifluoromethylation of electron‐deficient arenes without directing groups. Unlike previous substrate‐dependent approaches, this recyclable, atomically dispersed photocatalyst enables scalable synthesis of bioactive trifluoromethylated ...
Suman Pradhan, Jun Hu, Peng Ren, Yuman Qin, Noopur Jain, Susanna Monti, Giovanni Barcaro, Aleksander Jaworski, Xingchao Dai, Jabor Rabeah, Joaquin Silvestre‐Albero, Veronica Celorrio, Anna Rokicińska, Piotr Kuśtrowski, Sandra Van Aert, Sara Bals, Shoubhik Das   +16 more
wiley   +2 more sources

A Multi‐Scale Computational Framework for Anti‐Persister Tuberculosis Drug Discovery

Chemical Biology &Drug Design, Volume 108, Issue 4, October 2026.
This review presents an integrated QSAR–scaffold design–docking–MD framework for discovering anti‐persister tuberculosis agents active in dormant granuloma‐like conditions. By targeting Mtb bioenergetics and prioritising dual NDH‐2/cytochrome bd oxidase inhibition, the workflow advances rational design of candidates with higher resistance barriers ...
Said Moshawih, Anguraj Moulishankar, Chee Yan Choo, Khang Wen Goh, Chrismawan Ardianto, Azam Che Idris, Long Chiau Ming   +6 more
wiley   +1 more source