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Chain Shuttling Enantioselective Polymerization: An Effective Strategy for Synthesizing Stereoblock Polythioethers.
J Am Chem Soc
January 2025
State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials, Dalian University of Technology, 2 Linggong Road, Dalian 116024, China.
Herein, we propose to synthesize stereoblock polythioethers through the chain shuttling enantioselective ring-opening polymerization (ROP) of thiiranes. The use of diastereoisomeric dinuclear Cr complexes with optimized steric hindrance allowed the production of polythioethers with both a head-to-tail content and isotacticity of >99%. In particular, the introduction of dithiols enabled the synthesis of stereoblock polythioethers via a chain shuttling process, thus producing sulfhydryl-telechelic polythioethers with tunable thermal properties.
View Article and Find Full Text PDFTowards a Theory of Compassion Fatigue in Palliative Care and Oncology: A Systematic Scoping Review.
Am J Hosp Palliat Care
January 2025
Division of Supportive and Palliative Care, National Cancer Centre Singapore, Singapore.
Background: In their care of terminally ill patients, palliative care physicians and oncologists are increasingly predisposed to physical and emotional exhaustion, or compassion fatigue (CF). Challenges faced by physicians include complex care needs; changing practice demands, and sociocultural contextual factors. Efforts to better understand CF have, however, been limited.
View Article and Find Full Text PDFElaborating H-bonding effect and excited state intramolecular proton transfer of 2-(2-hydroxyphenyl)benzothiazole based D-π-A fluorescent dye.
Phys Chem Chem Phys
January 2025
Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
2-(2-Hydroxyphenyl)benzothiazole (HBT) derivatives with donor-π-acceptor (D-π-A) structure have received extensive attention as a class of excited state intramolecular proton transfer (ESIPT) compounds in the fields of biochemistry and photochemistry. The effects of electron-donors (triphenylamine and anthracenyl), the position of substituents and solvent polarity on the fluorescence properties and ESIPT mechanisms of HBT derivatives were investigated through time-dependent density functional theory (TDDFT) calculations. Potential energy curves (PECs) and frontier molecular orbitals (FMOs) reveal that the introduction of the triphenylamine group on the benzene ring enhances intramolecular HB, thereby benefiting the ESIPT process.
View Article and Find Full Text PDFComputational Insights into "Lone Pair-Lone Pair Interaction-Controlled" Isomerization in the Asymmetric Total Syntheses of (+)-3-()-Laureatin and (+)-3-()-Isolaureatin.
J Org Chem
January 2025
Center for Catalytic Hydrocarbon Functionalizations, Institute for Basic Science (IBS) and Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 34141, Republic of Korea.
Described herein is our computational study to rationalize the stereoselective epimerization of α,α'--disubstituted oxolane and oxetane ketones and to the corresponding α,α'- ketones and reported in our previous total syntheses of (+)-3-()-isolaureatin () and (+)-3-()-laureatin (). Density functional theory (DFT) calculations using appropriately truncated models revealed that the α,α'- ketones are more stable than the α,α'- ketones, in very good agreement with experimental results. The computational results showed that the isomer with a longer interatomic distance between the two ring oxygen atoms was lower in energy, which suggested the presence of repulsive interactions between those oxygen atoms.
View Article and Find Full Text PDFSimultaneous Ring-Opening and Dehydrogenation of Diarylethene Induced by Tunneling Electrons.
Chemphyschem
January 2025
Keio University Faculty of Science and Technology Graduate School of Science and Technology: Keio Gijuku Daigaku Rikogakubu Daigakuin Rikogaku Kenkyuka, Applied Physics and Physico-Informatics, 3-14-1 Hiyoshi, Kohoku-ku, 223-8522, Yokohama, JAPAN.
Understanding the reversible transformation between two isomeric states of organic molecules under external stimulation is essential for advancing single-molecule device development. Photochromic diarylethene (DAE) derivatives are promising candidates for single molecular switching elements. This study investigates the single-molecule reactions of the closed-form isomer of a DAE derivative on Cu(111) using scanning tunneling microscopy (STM).
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