Results 51 to 60 of about 3,347 (175)

Novel {Pb6} wheels based zeolite‐type metal‐organic framework for wide temperature range and high sensitivity of luminescent thermometer

Smart Molecules, EarlyView.
The expansion of {Pb6} wheels in zeolite‐type MOFs led to emission thermal quenching of 93%, relative sensitivity of 1.03% K−1 (intensity‐based) and 0.97% K−1 (lifetime‐based) in a wide temperature range of 298–423 K. Abstract The development of luminescent thermometers synchronously exhibiting high sensitivity and stability in a wide temperature range
Yi‐Na Li, Na Sun, Yun‐Long Wu, Xiao‐Gang Yang, Yang‐Tian Yan, Guo‐Ping Yang, Yao‐Yu Wang   +6 more
wiley   +1 more source

Formation Thermodynamics of Carbamazepine with Benzamide, Para-Hydroxybenzamide and Isonicotinamide Cocrystals: Experimental and Theoretical Study

Pharmaceutics, 2022
Formation thermodynamic parameters for three cocrystals of carbamazepine (CBZ) with structurally related coformers (benzamide (BZA), para-hydroxybenzamide (4-OH-BZA) and isonicotinamide (INAM)) were determined by experimental (cocrystal solubility and ...
Alex N. Manin, Denis E. Boycov, Olga R. Simonova, Tatyana V. Volkova, Andrei V. Churakov, German L. Perlovich   +5 more
doaj   +1 more source

Interaction Analysis using the Cambridge Structural Database – rapid access to intermolecular hydrogen‐bond frequencies and uses for coformer selection

Acta Crystallographica Section B, EarlyView.
We describe a coformer selection tool that uses knowledge of functional group interactions found in the Cambridge Structural Database to quickly identify complementary molecules to the target.A new methodology to perform virtual coformer screening, utilising data gathered on hydrogen‐bonding interactions present in the organic subset of the Cambridge ...
Joanna S. Stevens, Andrew G. P. Maloney, Elna Pidcock   +2 more
wiley   +1 more source

Drug-drug cocrystals: Opportunities and challenges

Asian Journal of Pharmaceutical Sciences, 2021
Recently, drug-drug cocrystal attracts more and more attention. It offers a low risk, low-cost but high reward route to new and better medicines and could improve the physiochemical and biopharmaceutical properties of a medicine by addition of a suitable
Xiaojuan Wang, Shuzhang Du, Rui Zhang, Xuedong Jia, Ting Yang, Xiaojian Zhang   +5 more
doaj   +1 more source

Mapping structure–property relationships in a 6‐oxo‐verdazyl radical by variable pressure crystallography and density functional theory

Acta Crystallographica Section B, EarlyView.
For the first time, the structural response to pressure of a verdazyl radical crystal has been studied. Computational modelling revealed changes in electronic and magnetic properties as a result of a structural phase transition.The response of the 1,5‐tolyl‐3‐phenyl‐6‐oxo‐verdazyl radical (pTolOV) to pressure in the crystalline state has been ...
James R. Brookes, Varshini J. Kumar, Isabelle M. Jones, Aston M. Summers, Stephanie A. Bird, Paul J. Low, Stephen A. Moggach, Dino Spagnoli   +7 more
wiley   +1 more source

Crystallographic Modification of Rosuvastatin Calcium: Formulation, Characterization and Pharmacokinetic Evaluation for Enhanced Dissolution, Stability and Bioavailability

Scientia Pharmaceutica
Rosuvastatin calcium is a promising lipid-lowering agent and the drug of choice in hyperlipidemia. Conventional solid oral delivery of rosuvastatin is limited by its poor solubility and ultimately poor bioavailability.
Deepak Kulkarni, Sanjay Pekamwar
doaj   +1 more source

Single‐crystal structure determination of psilocybin after dehydration

Acta Crystallographica Section C, EarlyView.
The structures of the hydrous and first anhydrous phases of crystalline psilocybin have been determined using single‐crystal X‐ray diffraction.The crystal structure of the known low‐temperature anhydrous phase of psilocybin {3‐[2‐(dimethylamino)ethyl]‐1H‐indol‐4‐yl dihydrogen phosphate, C12H17N2O4P} is reported.
Sonya K. Emmett, Lee Cameron, Mark Hestermann, Darren Holland, Simon Kessler, Luke McFarlane, Yit-Heng Chooi, Stephen A. Moggach   +7 more
wiley   +1 more source

Synthesis of β‐Thiolated Amino Acids: Investigation Toward the Total Chemical Synthesis of Lasso Peptide Microcin J25

ChemBioChem, Volume 27, Issue 15, 14 August 2026.
Lasso peptide, Microcin J25 (MccJ25), exhibits extreme stability and potent antibacterial activity against Gram‐negative bacteria due to its rigid “lariat” structure. However, this unique topology precludes researchers to achieve the total chemical synthesis. Herein, we investigated the chemical synthetic prestapling strategy toward synthesis of MccJ25
Yu‐Ting Hsiao, Bethan L. Heard, Ilia Perov, Marco J. van Belkum, Sorina Chiorean, Kaitlyn Towle, Isaac Antwi, John C. Vederas   +7 more
wiley   +1 more source

Mechanochemical Preparations of Anion Coordinated Architectures Based on 3‐Iodoethynylpyridine and 3‐Iodoethynylbenzoic Acid

ChemistryOpen, 2019
The halogen bond has previously been explored as a versatile tool in crystal engineering and anion coordination chemistry, with mechanochemical synthetic techniques having been shown to provide convenient routes towards cocrystals. In an effort to expand
Vincent M. Morin, Dr. Patrick M. J. Szell, Estelle Caron‐Poulin, Dr. Bulat Gabidullin, Prof. Dr. David L. Bryce   +4 more
doaj   +1 more source

Linkerability of Protein Ligands: Insights From Cocrystal Structures and Implications for DNA‐Encoded Libraries

Molecular Informatics, Volume 45, Issue 8, August 2026.
Linkers play a central role in medicinal chemistry but can interfere with protein binding of small molecules. This study analyzes linkerability of protein ligands and explores how limited accessibility impacts the interpretation of DNA‐encoded library data and their use in machine learning for predicting active compounds. Linkers play a central role in
Raphael M. Franzini
wiley   +1 more source