Results 171 to 180 of about 26,348 (232)

DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization

Journal of Computational Chemistry, Volume 47, Issue 24, September 15, 2026.
DL_FFLUX, which houses the quantum‐topological machine‐learning potential FFLUX, is refactored and computationally optimized through software‐level code optimization and prediction caching. The new implementation accelerates molecular dynamics simulations 93‐fold for the largest models while preserving accuracy.
Mohamadhosein Nosratjoo, Michael K. Bane, Paul L. A. Popelier   +2 more
wiley   +1 more source

Modular Molecular Design and Self-Assembled Nanostructures of Saccharide‑Appended Cyclic Dipeptides for Glycosidase‑Responsive Supramolecular Hydrogels. [PDF]

Small
Sugiura S, Tanaka R, Higashi SL, Shibata A, Hirosawa KM, Suzuki KGN, Ikeda M.   +6 more
europepmc   +1 more source

Peptidthioester und Peptidtriazolderivate durch Duale Modifikation von Peptidthiosulfonaten auf dem Harz

Angewandte Chemie, Volume 138, Issue 38, 14 September 2026.
Es wird eine Strategie zur dualen Modifikation von Peptiden auf der Festphase vorgestellt, die die S‐Alkinylierung von Peptidthiosulfonaten und eine regioselektive, iridiumkatalysierte Azid‐Thioalkin‐Zykloaddition umfasst. Dieses Verfahren ermöglicht zuverlässig den Zugang zu Peptiden mit komplexen, nicht‐kanonischen Modifikationen und ist mit ...
Marius Werner, Agnes Bergmann, Chenxi Liu, Mira Behnam, Christian Klein, Franziska Thomas   +5 more
wiley   +1 more source

Borylcyclopropanes: Synthetic Strategies and Applications

Angewandte Chemie, Volume 138, Issue 37, 7 September 2026.
Borylcyclopropanes (cyclopropanes bearing a boron substituent) sit at the intersection of two privileged frameworks in synthesis. This review provides the first exhaustive survey of their chemistry, spanning metal–carbene, nucleophilic cyclization, radical, hydroboration, and C─H activation routes, and documenting applications in medicinal chemistry ...
Aiza A. Butt, Joseph M. Ready
wiley   +2 more sources

l‑Boronophenylalanine (l-BPA) Dipeptide Prodrugs Enhance Boron Delivery to Tumors, Facilitate Tumor Eradication and Induce Tumor Vaccine Effect in Mice Following Neutron Irradiation. [PDF]

ACS Pharmacol Transl Sci
Torgov M, Raitano A, Quintana JC, Martin T, Kulenovic L, Dlamini S, Zhang C, Malinao MC, Ikeura M, Capo L, Morrison K, Matsumoto K, Komatsu A, Higashi Y, Takushi T, Sakurai Y, Dorn R, Suzuki M, Tamanoi F, Morrison K.   +19 more
europepmc   +1 more source

Peptide Thioester and Triazole Derivatives Through On‐Resin Dual‐Modification of Peptide Thiosulfonates

Angewandte Chemie International Edition, Volume 65, Issue 38, 14 September 2026.
An on‐resin dual‐modification strategy for peptides is presented, comprising S‐alkynylation of peptide thiosulfonates and regioselective iridium‐catalyzed azide–thioalkyne cycloaddition. This method reliably provides access to peptides with intricate non‐canonical modifications, being compatible with complex peptides, alkynes and azides.
Marius Werner, Agnes Bergmann, Chenxi Liu, Mira Behnam, Christian Klein, Franziska Thomas   +5 more
wiley   +1 more source

Yield and fidelity of early steps of ribosome-free translation depend on the RNA anchoring. [PDF]

Nucleic Acids Res
Giannakopoulos N, Haas P, Richert C.
europepmc   +1 more source

Recent Applications of Propylene Carbonate as a Solvent in Sustainable Organic Synthesis

ChemSusChem, Volume 19, Issue 17, 14 September 2026.
This review evaluates propylene carbonate (PC) as a non‐toxic green solvent in organic synthesis, highlighting its performance in key reactions including cross‐couplings, asymmetric hydrogenations, peptide synthesis and biocatalysis. Across these processes, PC delivers yields comparable to conventional and alternative green solvents.
Laura G. Aguilar‐Sanchez, Christopher R. Jones   +1 more
wiley   +1 more source

Carnosinylation of Cardiac Antigens Attenuates Immunogenic Responses and Improves Function in Failing Hearts. [PDF]

J Am Heart Assoc
Doelling B, Chaudhari M, Hoetker D, Brittian K, Nong Y, Stephan JK, Jouja I, Janis HI, Mitchell T, Wysoczynski M, Bhatnagar A, Jones SP, Baba SP.   +12 more
europepmc   +1 more source

Characterization of multi-stage metabolic alterations in hepatitis B virus-related acute-on-chronic liver failure using high-coverage metabolomics. [PDF]

Metabolomics
Zhang Z, Jiang H, Zhang G, Chen D, Su X, Li L, Li L.   +6 more
europepmc   +1 more source