Results 151 to 160 of about 662,036 (283)
Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy
Advanced Intelligent Systems, EarlyView.This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne +5 more
wiley +1 more source
Non‐Buckling Stacks of Nanocarbon Molecules
Angewandte Chemie, EarlyView.A nanometer‐sized nanocarbon molecule with a central octagon was synthesized by optimizing a tetrameric macrocyclization via concentration‐dependent yield analysis (CYAN). The slightly contorted molecular structure was found to be frozen in a dimeric stack in solution, whereas dissociation into monomers liberated the molecule to undergo buckling ...
Koki Ikemoto +8 more
wiley +2 more sources
Aromatic Pummerer‐Promoted Stereospecific Cross‐Coupling of Thiazoles With Boronic Esters
Angewandte Chemie, EarlyView.A lithiation–borylation–aromatic Pummerer (LiBAP) strategy enables stereospecific, C5‐selective C(sp2)–C(sp3) cross‐coupling of thiazoles with boronic esters. By using exocyclic sulfoxide activation to overcome the low nucleophilicity that frustrates SEAr‐type coupling, the method delivers enantioenriched alkylated thiazoles bearing a versatile C2 ...
Mark John P. Mandigma +4 more
wiley +2 more sources
CrystalsThe coordination chemistry of a hydrazinylpyrazine-derived Schiff base ligand (L1), formed in situ from salicylaldehyde and 2-hydrazinopyrazine, with Fe(III) salts has been systematically investigated under varied synthetic conditions.
Omar Coughlin +2 more
doaj +1 more source
Journal of Applied CrystallographyThe study of crystallography and the introduction to X-ray structure analysis are generally regarded as tasks for universities and, even then, usually only in graduate studies. However, analysis of crystal structures in science classes at high schools offers a wide range of opportunities for illustrating and improving understanding of fundamental ...
openaire +4 more sources
Active Metal Template Synthesis of Rotaxanes From BINOL‐Phosphate Macrocycles
Angewandte Chemie, EarlyView.The use of macrocyclic BINOL‐phosphates allows for the active metal template synthesis of [2]rotaxanes via Cu(I)‐mediated alkyne‐azide cycloaddition. DFT calculations, control experiments, and kinetic experiments support a dinuclear phosphate‐Cu2 intermediate.
Nikolai Brodt +10 more
wiley +2 more sources
, 2016 Review of crystallography. Role of crystallography in modern biology. Outline of steps and process in protein crystallography as an important special case of single-crystal crystallography.
Heiney, Paul A.
core
Angewandte Chemie, EarlyView.The azacitidine biosynthetic gene cluster (aza BGC) was identified by the resistance‐gene‐guided comparative genomics method in Streptomyces mobaraensis IPIO2. The complete biosynthetic pathway of azacitidine, which follows a “base‐first‐then‐glycosylation” logic, was elucidated through in vivo and in vitro experiments.
Dan Wang +6 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Molecular Scissors: Oxide insertion slices the layers of MQ2 transition metal dichalcogenides (TMDs) into one‐dimensional [M3Q6] nanoribbons, giving a new family of A2Hf3Q6O (A = K, Rb, Cs; Q = S, Se) oxychalcogenides. The heteroanion‐driven dimensional reduction yields direct‐gap semiconductors with optical absorption that is tunable across the ...
Ayat Tassanov +6 more
wiley +2 more sources
Angewandte Chemie, EarlyView.Strategic incorporation of unnatural amino acids transforms macrocyclic peptides into drug‐like molecules capable of engaging challenging targets. These building blocks enhance stability, permeability, and bioavailability, accelerating the development of next‐generation peptide therapeutics.
Krishna K. Sharma +5 more
wiley +2 more sources