Results 131 to 140 of about 15,265 (249)
The second‐generation crystalline sponge method allows structurally diverse molecular guests to crystallize under standardized crystallization conditions. The key is the predominant packing type of cages and anions in crystals. ABSTRACT Crystallization is typically highly sensitive to even minor structural differences in target molecules.
Wei He, Hiroki Takezawa, Makoto Fujita
wiley +2 more sources
ChemBang: Expanding the Chemical Space Around Small Molecules
Schematic diagram of the underlying concepts behind ChemBang and the molecular generation process from a seed molecular structure by applying the three main categories of chemical transformations, namely, interchange of small substituents, replacement of ring systems, and scaffold enlargement by additional ring systems.
Diana Montes‐Grajales +3 more
wiley +1 more source
Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications
Bifenthrin is a pyrethroid insecticide with two stereogenic centers, generating four stereoisomers with distinct physicochemical and electronic properties. A combined crystallographic and density functional theory study, supported by Hirshfeld surface, quantum theory of atoms in molecules, natural bond orbital, and reactivity descriptor analyses ...
Nayara C. M. Santos +7 more
wiley +1 more source
Bioaccumulation of Highly Hydrophobic Organohalogen Flame Retardants from Sediments: Application of Toxicokinetics and Passive Sampling Techniques [PDF]
Li, Huizhen +5 more
core +1 more source
ABSTRACT Ergot alkaloids (EAs), toxic secondary metabolites produced by Claviceps purpurea, pose food and feed safety concerns for cereal grains, particularly rye and wheat. While EAs are most frequently associated with rye, their occurrence in other cereals has been increasingly reported across diverse regions.
Chamali Kodikara +2 more
wiley +1 more source
ABSTRACT Portal vein velocity (PVV) is a useful indirect indicator of portal pressure. Reference values for PVV have been previously established in healthy, non‐sedated dogs with reported ranges of 14.7 ± 2.5 and 18.1 ± 7.6 cm/s. PVV may be influenced by physiological and pathological factors; for example, a correlation between body weight and PVV has ...
Wiktoria Jamont +4 more
wiley +1 more source
The mechanism of pacifigorgiadiene synthase from Burkholderia gladioli was investigated through isotopic labeling experiments and DFT calculations. The results revealed an unexpected labeling pattern which appeared to be different in the main and the side products, requiring unprecedented mechanistic explanations, including a “break‐flip‐cyclise ...
Zhiyong Yin +6 more
wiley +1 more source
Chain Versus Ring: Characterization of a Meta‐Phenylene Ladder Polymer and Its Octameric Macrocycle
The synthesis and comprehensive spectral and photophysical analysis of a methyl‐substituted ladder meta‐phenylene macrocycle (MeLMMP) and its polymer analogue (MeLPMP) show that, despite differing topologies (macrocycle vs. polymer), both display nearly identical electronic and photophysical properties due to cross‐conjugation.
Paulo D. Nunes Barradas +4 more
wiley +1 more source
The Polytope Formalism: application to molecular constitution and the prospect of a complete description of Chemical Space. [PDF]
Canfield PJ, Crossley MJ.
europepmc +1 more source
Enhanced Solubility and Deprotection of Pyrene-4,5,9,10-tetraones through Propylene Glycol and Propanediol Protection. [PDF]
Wessling R +5 more
europepmc +1 more source

