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Comprehensive Chemical Analysis of the Methyl 3-Nitrogen-2,3-Dideoxysaccharides Derivatives with d--Configuration: Synthesis, Reactivity of HIV-1 Reverse Transcriptase Inhibitors.
J Phys Chem B
January 2025
Intermolecular Interaction Laboratory, Department of Bioinorganic Chemistry, Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, Poland.
This study extends previous research, particularly focusing on patented scientific objects No. ID: PL 240 353 B1, investigating the physicochemical properties of the methyl 3-azido- and 3-amino-2,3-dideoxysaccharides with a nucleoside scaffold similar to 3'-azidothymidine (AZT). The study utilizes multiwavelength spectrophotometric and potentiometric methods to evaluate the ionization of the saccharide units in aqueous solutions.
View Article and Find Full Text PDFFilling the Gap in and Evaluation for Saturated Fluorine-Containing Derivatives With Machine Learning.
J Comput Chem
January 2025
Department of Organic Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, Ukraine.
Lipophilicity and acidity/basicity are fundamental physical properties that profoundly affect the compound's pharmacological activity, bioavailability, metabolism, and toxicity. Predicting lipophilicity, measured by (1-octanol-water distribution coefficient logarithm), and acidity/basicity, measured by (negative of acid ionization constant logarithm), is essential for early drug discovery success. However, the limited availability of experimental data and poor accuracy of standard and assessment methods for saturated fluorine-containing derivatives pose a significant challenge to achieving satisfactory results for this compound class.
View Article and Find Full Text PDFExploring the Impact of Structural Modifications of Phenothiazine-Based Novel Compounds for Organic Solar Cells: DFT Investigations.
Polymers (Basel)
January 2025
Research Laboratory of Asymmetric Synthesis and Molecular Engineering of Materials for Organic Electronic (LR18ES19), Department of Physics, Faculty of Sciences of Monastir, University of Monastir, Avenue of Environment, Monastir 5019, Tunisia.
This paper explores a novel group of D-π-A configurations that has been specifically created for organic solar cell applications. In these material compounds, the phenothiazine, the furan, and two derivatives of the thienyl-fused IC group act as the donor, the π-conjugated spacer, and the end-group acceptors, respectively. We assess the impact of substituents by introducing bromine atoms at two potential substitution sites on each end-group acceptor (EG1 and EG2).
View Article and Find Full Text PDFElectronic Substitution Effect on ESIPT-Driven pH and Amine Sensing: Exploring Mechanism.
Chem Asian J
January 2025
BITS- Pilani, Chemistry, FD-III, 333031, Pilani, INDIA.
It is required to have a more straightforward and easier way to check the quality of food to ensure the safety of the public heaths. The decomposition of meat protein results in ammonia and biogenic amines (BAs). Here, we have designed and synthesized three luminescent-based probe molecules, which originated from 2-(2-hydroxyphenyl) benzothiazole (HBT) derivatives and showed the excited state-induced proton transfer (ESIPT) phenomenon.
View Article and Find Full Text PDFMuon spectroscopy of a 12-phosphatetraphene with extremely efficient radical trapping properties.
Sci Rep
January 2025
Centre for Molecular and Materials Science, TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3, Canada.
This paper describes muon spin spectroscopy studies of 12-phosphatetraphene stabilized by a peri-trifluoromethyl group and a meso-aryl substituent. Even though the prepared solution in tetrahydrofuran (THF) was quite dilute (0.060 M) for transverse-field muon spin rotation (TF-µSR) measurements, the π-extended heavier congener of tetraphene presented a pair of signals due to a muoniated radical from which the muon hyperfine coupling constant (hfc) was determined.
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