In this work, the 2s + 2s (face-to-face) prototypical example of a photochemical reaction has been re-examined to characterize the evolution of chemical bonding. The analysis of the electron localization function (as an indirect measure of the Pauli principle) along the minimum energy path provides strong evidence supporting that CC bond formation occurs not in the excited state but in the ground electronic state after crossing the rhombohedral S/S conical intersection.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d1cp03554a | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Apolipoprotein E3 and E4 isoforms exhibit differing effects in countering endotoxins.
J Biol Chem
January 2025
Department of Biomedical Science, Faculty of Health and Society, Malmö University, SE-205 06 Malmö, Sweden. Electronic address:
Apolipoprotein E (APOE) is distributed across various human tissues and plays a crucial role in lipid metabolism. Recent investigations have uncovered an additional facet of APOE's functionality, revealing its role in host defense against bacterial infections. To assess the antibacterial attributes of APOE3 and APOE4, we conducted antibacterial assays using P.
View Article and Find Full Text PDFUnveiling heterointerface activation effects with different titanium dioxide crystal phases for electrocatalytic nitrate-to-ammonia reduction.
J Hazard Mater
January 2025
School of Environmental and Municipal Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China; Shaanxi Key Laboratory of Environmental Engineering, Xi'an University of Architecture and Technology, Xi'an 710055, China. Electronic address:
Nitrate pollution poses severe risks to aquatic ecosystems and human health. The electrocatalytic nitrate reduction reaction (NITRR) offers a promising environmental and economic solution for nitrate pollution treatment and nitrogen source recovery; however, it continues to experience limited efficiency in neutral electrolytes. This study explores the heterointerface activation effects of TiO/CuO heterogeneous catalysts with rutile (R-TiO) and anatase (A-TiO) phases and reveals that R-TiO is an active crystal phase with high nitrate reduction performance.
View Article and Find Full Text PDFCopper(II)-Catalyzed Asymmetric (3+3) Annulation of Diaziridines with Oxiranes.
Org Lett
January 2025
State Key Laboratory of Antiviral Drugs, Pingyuan Laboratory, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, China.
Highly asymmetric (3+3) annulation of diaziridines with oxiranes via C-N bond cleavage in diaziridine was achieved under 10 mol % of chiral copper(II) complex as the catalyst under mild reaction conditions. With Cu(OTf) as the Lewis acid and C-symmetric imidazolidine-pyrroloimidazolone pyridine as the ligand, diverse tetrahydro-[1,3,4]-oxadiazines were obtained by stereospecific C-N/C-O bond formation in moderate to good yields (up to 93% yield) and high diastereo- (>20:1 dr) and enantioselectivities (up to 92% ee). The catalytic cycle and stereochemical model were proposed by DFT calculation.
View Article and Find Full Text PDFStereoselective Reaction Enabling Simultaneous Analysis of Carbon-Carbon Double-Bond Configuration and the Position of Monounsaturated Fatty Acids through UHPLC-ESI-MRM-MS.
Anal Chem
January 2025
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center for Excellence in Molecular Sciences, Key Laboratory of Analytical Chemistry for Living Biosystems, Beijing Mass Spectrum Center, Institute of Chemistry Chinese Academy of Sciences, Beijing 100190, China.
Monounsaturated fatty acids (MUFA) are an important class of nutrients and are involved in lipid metabolism. The positions of the C=C bond and cis-trans isomerism have a significant influence on their physiological activity. However, simultaneously detecting these two structural properties has been challenging due to multiple isomers of MUFA.
View Article and Find Full Text PDFSelf-assembly of Antisense DNA-Camptothecin Amphiphile into Glutathione-Responsive Nanoparticles for Combination Cancer Therapy.
Chemistry
January 2025
Indian Institute of Science Education and Research Thiruvananthapuram, Chemistry, Trivandrum, Trivandrum, Trivandrum, 695551, Trivandrum, INDIA.
Recent years have witnessed the rapid growth of combination therapy for the treatment of cancer. Chemo and antisense DNA therapies are two clinically proven and efficient treatment modalities for cancer. However, direct delivery of both chemo and antisense oligonucleotides into the cancerous cells is challenging and hence there is a high demand for the development of new strategies that permit the direct delivery of chemo and antisense therapeutic agents in a targeted fashion.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!