AI Article Synopsis
- The Bürgi-Dunitz (BD) angle is crucial in explaining how nucleophiles add to carbonyl groups in organic chemistry.
- The precise reasons for the obtuse angle of the nucleophile's path are still partially unclear.
- This study uses quantum chemistry to show that the obtuse angle results from lower Pauli repulsion, stronger interactions between nucleophile HOMO and carbonyl π bond, and enhanced electrostatic attractions.
Article Abstract
The Bürgi-Dunitz (BD) angle plays a pivotal role in organic chemistry to rationalize the nucleophilic addition to carbonyl groups. Yet, the origin of the obtuse trajectory of the nucleophile remains incompletely understood. Herein, we quantify the importance of the underlying physical factors quantum chemically. The obtuse BD angle appears to originate from the concerted action of a reduced Pauli repulsion between the nucleophile HOMO and carbonyl π bond, a more stabilizing HOMO-π*-LUMO(C=O) interaction, as well as a more favorable electrostatic attraction.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/cphc.202300379 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Hydrophobic PU fabric with synergistic conductive networks for boosted high sensitivity, wide linear-range wearable strain sensor.
Nanotechnology
January 2025
Anhui Agricultural University, Hefei, 230036, P. R. China, Hefei, 230036, CHINA.
Strain sensing fabrics are able to sense the deformation of the outside world, bringing more accurate and real-time monitoring and feedback to users. However, due to the lack of clear sensing mechanism for high sensitivity and high linearity carbon matrix composites, the preparation of high performance strain sensing fabric weaving is still a major challenge. Here, an elastic polyurethane(PU)-based conductive fabric(GCPU) with high sensitivity, high linearity and good hydrophobicity is prepared by a novel synergistic conductive network strategy.
View Article and Find Full Text PDFThe Contribution of Muscular Fatigue and Shoulder Biomechanics to Shoulder Injury Incidence During the Bench Press Exercise: A Narrative Review.
J Strength Cond Res
December 2024
School of Kinesiology, University of Michigan, Ann Arbor, Michigan.
Motlagh, JG and Lipps, DB. The contribution of muscular fatigue and shoulder biomechanics to shoulder injury incidence during the bench press exercise: A narrative review. J Strength Cond Res 38(12): 2147-2163, 2024-Participation in competitive powerlifting has rapidly grown over the past two decades.
View Article and Find Full Text PDFIn vivo imaging of mitochondrial function in normal, glaucoma suspect, and glaucoma eyes.
PLoS One
January 2025
Department of Ophthalmology, University of Washington, Seattle, WA, United States of America.
To investigate macula and optic nerve head (ONH) mitochondrial metabolic activity using flavoprotein fluorescence (FPF) in normal, glaucoma suspect (GS), and open-angle glaucoma (OAG) eyes we performed a cross-sectional, observational study of FPF in normal, GS, and OAG eyes. The macula and ONH of each eye was scanned and analyzed with a commercially available FPF measuring device (OcuMet Beacon, OcuSciences Inc., Ann Arbor, MI).
View Article and Find Full Text PDFDoes curcumin supplementation affect inflammation, blood count and serum brain-derived neurotropic factor concentration in amateur long-distance runners?
PLoS One
January 2025
Institute of Sport Sciences, Jerzy Kukuczka Academy of Physical Education in Katowice, Katowice, Poland.
Curcumin is known for its potential health benefits; however, the evidence remains inconclusive regarding its necessity as a supplement for athletes during the preparatory phase of training. This study aimed to assess the effect of 6-week curcumin supplementation at a dose of 2g/day on selected inflammatory markers, blood count, and brain-derived neurotropic factor (BDNF) levels in middle-aged amateur long-distance runners during the preparatory period of a macrocycle. Thirty runners were randomly assigned to either a curcumin-supplemented group (CUR, n = 15) or a placebo group (PLA, n = 15).
View Article and Find Full Text PDFEfficacy of virtual reality balance training on rehabilitation outcomes following anterior cruciate ligament reconstruction: A systematic review and meta-analysis.
PLoS One
January 2025
Orthopedics Department, First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin, China.
Objective: The objective of this systematic review and meta-analysis is to clarify the rehabilitation efficacy of virtual reality (VR) balance training after anterior cruciate ligament reconstruction (ACLR).
Methods: This meta-analysis was registered in PROSPERO with the registration number CRD42024520383. The electronic databases PubMed, Web of Science, Cochrane Library, MEDLINE, Embase, China National Knowledge Infrastructure, Chinese Biomedical Literature, China Science and Technology Journal Database, and Wanfang Digital Periodical database were systematically searched to identify eligible studies from their inception up to January 2024.
Want 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!