Results 91 to 100 of about 6,443 (221)

Co(II), Cu(II), and Ni(II) Coordination Complexes: Synthesis, Characterization, Experimental, and Computational Study on Potential Antiplasmodial Activity

open access: yesChemMedChem, Volume 21, Issue 12, 26 June 2026.
Four isostructural complexes (C1–C4) derived from 2‐(tert‐butoxy)‐6‐(1H‐imidazol‐1‐yl)pyridine with axial halides exhibit octahedral trans M(L)4X2 geometries, confirmed by X‐ray diffraction. They feature a discrete 1,6M7−1 topology, identified using ToposPro analysis.
David Ezenarro‐Salcedo   +10 more
wiley   +1 more source

Phosphoryl Halogen and Hydrogen Bonding Controls the Solid‐State Structures of Aryl Halide‐Containing Phosphonates

open access: yesEuropean Journal of Inorganic Chemistry, Volume 29, Issue 17, 17 June 2026.
Intramolecular (RO)2PO→Halogen interaction versus intermolecular (RO)2PO···HOH hydrogen bonds. Although the O···I distance is shorter than the sum of the van der Waals radii of the atoms involved, there is no covalency involved in this interaction.
David Mross   +6 more
wiley   +1 more source

A chiral diamine: practical implications of a three-stereoisomer cocrystallization

open access: yesActa Crystallographica Section C Structural Chemistry, 2018
A brief comparison of seven straightforward methods for molecular crystal-volume estimation revealed that their precisions are comparable. A chiral diamine, N 2,N 3-bis[2,6-bis(propan-2-yl)phenyl]butane-2,3-diamine, C28H44N2, has been used to illustrate the application of the methods.
Brian S. Dolinar   +5 more
openaire   +4 more sources

Cocrystallization of nutraceuticals

open access: yes, 2014
Cocrystallization has emerged over the past decade as an attractive technique for modification of the physicochemical properties of compounds used as active pharmaceutical ingredients (APIs), complementing more traditional methods such as salt formation.
Lawrence, Simon E.   +2 more
core  

Speeding Up the Cocrystallization Process: Machine Learning-Combined Methods for the Prediction of Multicomponent Systems

open access: yes, 2023
Pharmaceutical cocrystals are crystalline materials composed of at least two molecules, i.e., an active pharmaceutical ingredient (API) and a coformer, assembled by noncovalent forces.
Rubina Novelli (11681443)   +17 more
core   +1 more source

A Novel Insensitive Cocrystal Explosive Composed of BTF and the Non-Energetic 2-Nitroaniline

open access: yesCrystals
Benzotrifuroxan (BTF) is a powerful energetic material (EM) with high density that can be used both as a primary and a secondary explosive. However, high mechanical sensitivity limits its application prospects.
Sijia Du   +5 more
doaj   +1 more source

Computational screens can speed up the discovery of pharmaceutical cocrystals

open access: yesADMET and DMPK, 2018
The calculation of Surface Site Interaction Points for cocrystal computational screens in combination with efficient experimental cocrystallization techniques has been applied successfully to several drug compounds.
Rafel Prohens, Christopher A Hunter
doaj   +1 more source

Vapochemical cocrystallization of nicotinamide and dicarboxylic acids

open access: yes, 2016
Nikotīnamīda un dikarbonskābju kokristālu tvaikķīmiskas veidošanās izpēte. Ķeķe A., darba vadītāja vadošā pētniece Dr. chem. Orola L. Bakalaura darbs, 41 lappuses, 27 attēli, 1 tabula, 40 literatūras avoti. Latviešu valodā.
Ķeķe, Anete
core  

Protective Effects of Quercetin against Pyrazinamide Induced Hepatotoxicity via a Cocrystallization Strategy of Complementary Advantages

open access: yes, 2018
Reducing effectively toxic side effects is a challenging subject in drug development. The reported herein cocrystallization of pyrazinamide with quercetin has complementary advantages, enhancing the in vitro/vivo performance of quercetin and taming the ...
Ling-Yang Wang (5352554)   +4 more
core   +1 more source

Probing 3‐Amino‐2H‐Azaindazoles as Allosteric Inhibitors of the Protein Tyrosine Phosphatase SHP2

open access: yesChemMedChem, Volume 21, Issue 11, 15 June 2026.
A palladium‐catalyzed domino reaction facilitated the discovery and rapid synthesis of selective, potent 3‐amino‐2H‐azaindazole derivatives serving as allosteric inhibitors of SHP2. Structural analysis via co‐crystallography confirmed binding at the allosteric site, thereby stabilizing the autoinhibited SHP2 conformation, qualifying this scaffold as a ...
Machoud Amoussa   +20 more
wiley   +1 more source

Home - About - Disclaimer - Privacy