Photoinduced dynamics in protonated aromatic amino acid
UV photoinduced fragmentation of protonated aromatics amino acids have emerged the last few years, coming from a situation where nothing was known to what we think a good understanding of the optical properties.
Barat, Michel+5 more
core +3 more sources
How an Anode‐Sided Gap Influences the Electrooxidation of Phenols in Flow Reactors
This research advances sustainable chemical manufacturing by exploring electrochemical methods producing substituted quinones, essential for supplements, pharmaceuticals, and pesticides. Replacing traditional thermochemical processes with electroorganic synthesis, it highlights the potential of renewable energy and environmentally friendly approaches ...
Jonas Wolf+6 more
wiley +1 more source
Visible‐Light Photocatalysis for Sustainable Chromene Synthesis and Functionalization
Visible‐light photocatalysis provides sustainable and versatile methods for the synthesis and functionalization of chromene derivatives. This review compiles cutting‐edge methodologies, highlighting transformations such as multicomponent reactions, cross‐dehydrogenative coupling reactions, diverse cascade processes, and Giese‐type additions.
Paula Pérez‐Ramos+4 more
wiley +1 more source
Ammoxidation of Unprotected Glycosides: A One‐Pot Conversion of Alcohols to Nitriles
Efficient C5‐selective ammoxidation of minimally protected carbohydrates enables direct access to nitrile sugars, valuable in bioorthogonal chemistry and drug development. Using TEMPO, PIDA, and ammonium acetate in aqueous acetonitrile, this method offers high selectivity without protecting groups.
Jacob‐Jan Haaksma+7 more
wiley +1 more source
Soliton molecules in Sharma-Tasso-Olver-Burgers equation [PDF]
Soliton molecules have been experimentally discovered in optics and theoretically investigated for coupled systems. This paper is concerned with the formation of soliton molecules by the resonant mechanism for a noncoupled system, the Sharma-Tasso-Olver-Burgers (STOB) equation.
arxiv
Hypervalent molecules sulfurane (SH4) and persulfurane (SH6) [PDF]
Gretchen M. Schwenzer, Henry F. Schaefer
openaire +2 more sources
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements [PDF]
The 6‐31G* and 6‐31G** basis sets previously introduced for first‐row atoms have been extended through the second‐row of the periodic table. Equilibrium geometries for one‐heavy‐atom hydrides calculated for the two‐basis sets and using Hartree–Fock wave ...
Binkley, J Stephen+6 more
core +1 more source
UniMoT: Unified Molecule-Text Language Model with Discrete Token Representation [PDF]
The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do not treat molecule and text modalities equally and lack a supervision signal for the molecule modality.
arxiv
Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening [PDF]
The AIDS epidemic has killed 40 million people and caused serious global problems. The identification of new HIV-inhibiting molecules is of great importance for combating the AIDS epidemic. Here, the Classifier Guidance Diffusion model and ligand-based virtual screening strategy are combined to discover potential HIV-inhibiting molecules for the first ...
arxiv
The Tetrel Bonds of Hypervalent Halogen Compounds. [PDF]
Niu Z, McDowell SAC, Li Q.
europepmc +1 more source