Results 141 to 150 of about 56,702 (287)
Molecular dynamics (MD) simulations are frequently carried out for proteins to investigate the role of electrostatics in their biological function. The choice of force field (FF) can significantly alter the MD results as the simulated local electrostatic
Steven G., Boxer +3 more
core +1 more source
Schwefel‐gesteuerter Aufbau von Vinylcyclopropanen ausgehend von 1,3‐Dienen
Angewandte Chemie, EarlyView.Schwefel übernimmt die Kontrolle: Ein Thioether wirkt als molekularer Dirigent, der die Carbenaddition an 1,3‐Diene mit außergewöhnlicher Regio‐ und Diastereokontrolle lenkt. Dabei werden schwefelhaltige Vinylcyclopropane (S‐VCPs) erhalten, die mittels herkömmlicher Methoden nur schwer zugänglich sind.
Anna Keimer +6 more
wiley +1 more source
Angewandte Chemie, EarlyView.Cyclopentadienes (CpHs) are fundamental building blocks with widespread applications in chemistry. However, their inherent acidity and isomeric instability have long limited access to chiral variants in an asymmetric fashion. Here, we introduce a CuH‐catalyzed asymmetric transformation that provides an unprecedented entry into a new class of ...
Piero Soppelsa +4 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Ein verbessertes Niedertemperatur Syntheseverfahren hat die erste umfassende strukturelle und spektroskopische Charakterisierung von neutralem Hexacyanotrimethylencyclopropan (CN6CP) ermöglicht. Kombinierte IR/Raman‐, UV/Vis und ssNMR‐Analysen liefern tiefere Einblicke in die oxidationszustandsabhängige Ladungsverteilung, die σ‐Aromatizität des ...
Jan P. Soyka +8 more
wiley +1 more source
Iron‐Photocatalyzed C(sp3)–H Phosphonylation of Alkanes
Angewandte Chemie, EarlyView.Alkyl phosphonates are valuable motifs that can be prepared by phosphonylations of various common functional groups. However, direct phosphonylations of C(sp3)–H bonds are limited to activated positions. Herein, we report an iron‐photocatalyzed phosphonylation of unactivated C(sp3)–H bonds using a novel phosphite radical trap, which is equipped with an
Ya Dong +6 more
wiley +2 more sources
Evaluating and optimizing NBR-modified bituminous mixes: a rheological and RSM-based study
Scientific ReportsBitumen shows visco-elastic behavior, exhibiting both elastic and viscous properties as predicted by dynamic response and phase angle. Modern asphalt bituminous pavements face issues such as early-stage fatigue cracks, rutting, and permanent deformations
Inamullah Khan +6 more
doaj +1 more source
Angewandte Chemie, EarlyView.The excited‐state antiaromaticity of hydroxybenzotropyliums (HBTs) can be tuned through substituent effects to bring the aromatic ‘enol’ (E) and keto (K) tautomers close in energy. This leads to abnormally slow excited‐state proton transfer (on the ns timescale), giving rise to dual fluorescence emission and weak photoacidity.
Promeet K. Saha +6 more
wiley +2 more sources
Comparison of the effect of using latex and nitrile gloves hand dexterity among Iranian population
بهداشت و ایمنی کار, 2014 Introduction: Manual dexterity impairment due to wearing latex and nitrile gloves among health care employees and laboratory personnel can be a remarkable problem because of its adverse outcomes.
T. Allahyari +2 more
doaj
Angewandte Chemie, EarlyView.Die geminale Difunktionalisierung leicht verfügbarer Bausteine ermöglicht einen schnellen Zugang zu molekularer Komplexität. Diese Arbeit stellt eine Strategie vor, um zwei unterschiedliche funktionelle Gruppen an einem Carbonylkohlenstoff zu installieren, indem dieser in eine Donor–Donor‐Diazo‐Verbindung überführt wird. Die Methode ist sowohl im Batch‐
Vincent George +13 more
wiley +1 more source
Mitochondria‐Targeting Moieties Based on N‐Tethered Pyridinium Cations
Angewandte Chemie, EarlyView.Pyridinium cations were benchmarked as mitochondria‐targeting moieties in a panel of N‐tethered fluorescent‐, bioactive‐, and inert‐cargo conjugates. 3,5‐Diphenylpyridinium (DPPy+) is a competent triphenylphosphonium (TPP+) surrogate, combining high mitochondria‐targeting efficiency with lower intrinsic effects on mitochondrial function.
Ivan Džajić +27 more
wiley +2 more sources