Results 71 to 80 of about 10,442 (249)

Novel Charge-Transfer Materials via Cocrystallization of Planar Aromatic Donors and Spherical Polyoxometalate Acceptors [PDF]

, 2000
Spherical polyoxometalates (POMs) such as M6O192- and SiM12O404- (with M = Mo or W) and planar arene donors (anthracenes and pyrenes) can be cocrystallized (despite their structural incompatibility) by attaching a cationic “anchor” onto the arene which ...
Hubig, S. M., Kochi, Jay K., Lindeman, Sergey V., Maguères, P. Le, Peya, P.   +4 more
core   +1 more source

Multiple Dimerization Modes in Thiocarboxylate Paddlewheel Complexes: A Comprehensive View of Energy Landscapes from DFT Calculations and Statistics

Chemistry – A European Journal, EarlyView.
Staggered, square, and heavily bent dimers occur in the five known solvatomorphs of paddlewheel (PW) complex [PtVO(SOCPh)4]. These and other structural motifs are well within energetic reach due to the shallow potential energy surface that guides dimerization and are included in a revised classification of available structural data on heterobimetallic ...
Olga Mironova, Giacomo Bellini, Alessio Nicolini, Andrea Cornia   +3 more
wiley   +1 more source

Bayesian Optimization of Solvent‐Free Thermal Amidation via Reactive Extrusion

Chemistry – A European Journal, EarlyView.
Thermal amidation between a carboxylic acid and an amine was successfully conducted in an extruder in the absence of solvent, coupling agent, or catalyst, relying on an adapted Bayesian Optimization protocol. Active pharmaceutical ingredient moclobemide was synthesized on a larger scale, achieving excellent yield and low Process Mass Intensity (PMI ...
Matthieu Lavayssiere, Xavier Bantreil, Frédéric Lamaty   +2 more
wiley   +1 more source

Zeolite Synthesis under Insertion of Silica Rich Filtration Residues from Industrial Wastewater Reconditioning [PDF]

, 2014
Zeolite synthesis was studied using two silica rich filtration residues (FR 1 and FR 2) as Si-source and sodium aluminate in a direct synthesis at 60°C at strong alkaline conditions (8 M - 16 M NaOH).
Buhl, Josef-Christian, Hartmann, Andrea, Lindemann, M., Petrov, V., Prinz, C., Rübner, K., Zimathies, A.   +6 more
core   +2 more sources

Synthesis of 1,2,3,4‐Tetrahydroisoquinoline‐3‐Carboxylic Acid‐Embedded Decapeptides: In Silico Studies and In Vitro Evaluation Against Breast Cancer

ChemistryOpen, EarlyView.
Synthesized decapeptides were designed and validated by in silico studies. They have significantly exhibited anticancer potential against breast cancer and MCF‐7 cell line. The above illustration specifies the synthetic pathway, biological screening, and the mode of action of the peptide in blocking the pathways responsible for the growth of cancer ...
Sunil Tivari, Naurin Lalani, Pritam Bagwe, Prashant Chandole, Ramesh Pawar, Enrique Delgado‐Alvarado, Abdallah Othman Ghnaim, Yashwantsinh Jadeja   +7 more
wiley   +1 more source

Disarming the Hsp70–Bim Alliance: Small‐Molecule and Peptidic Disruptors of a Chaperone‐Apoptotic Switch in Cancer

ChemistryOpen, EarlyView.
Targeting a nucleotide‐sensitive groove on Hsp70 that binds the Bim BH3 helix, we integrate structures, biophysics, and SAR from peptides, fragments, and phenalene‐dicarbonitrile “wedges.” These disrupt the Hsp70–Bim complex with sub‐µM cellular engagement and in vivo activity while sparing Hsp90/mortalin.
Emadeldin M. Kamel, Mohammed Al‐zharani, Lina M. Alneghery, Noha A. Ahmed, Faris F. Aba Alkhayl, Al Mokhtar Lamsabhi   +5 more
wiley   +1 more source

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment

ChemistryOpen, EarlyView.
Molecular dynamics analysis of novel statin analogs shows that binding induces superior stabilization of HMG‐CoA reductase. As shown by the solvent‐accessible surface area profile, ligand‐induced rigidity offers a new, effective strategy for drug design. Cardiovascular diseases remain a leading cause of global mortality.
Yoshua B. Mtulo, Geradius Deogratias, James E. Mgaya, Andrew S. Paluch, Lucas Paul   +4 more
wiley   +1 more source

Cocrystallization of Etodolac: Prediction of Cocrystallization, Synthesis, Solid State Characterization And In Vitro Drug Release

Marmara Pharmaceutical Journal, 2016
Bu arastirma kapsaminda, etodolak ko-kristallerinin sentezi  ve farkli koformerlerin yapilarinin aydinlatilmasi ile Hansen  cozunurluk paratmetrelerinin tayini calisilmistir. Etodolak’in  cozunurlugunun arttirilmasi ve dissolusyon ozelliginin  iyilestirilmesi amaciyla hazirlanan etodolak ko-kristallerinin  farkli koformerleri izlenmistir.
Dipak D Gadade, Sanjay S Pekamwar, Swaroop R Lahoti, Santosh D Patni, Mahesh C Sarode   +4 more
openaire   +2 more sources

Polyethylene‐Polyamide‐6 Diblock Copolymers for Fused Filament Fabrication

Journal of Polymer Science, EarlyView.
Linear HDPE‐PA6 block copolymers were prepared by polymerization of ethylene to a macroinitiator and subsequent anionic caprolactam polymerization. The copolymer with a HDPE mass of 6500 Da and PA6 mass of 20.000 Da was used as a filament in 3D printing.
Elsa M. Schoeneberger, Gerrit A. Luinstra   +1 more
wiley   +1 more source

Exploring the cocrystallization potential of urea and benzamide [PDF]

Journal of Molecular Modeling, 2016
The cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented
Cysewski, Piotr, Przybyłek, Maciej, Ziółkowska, Dorota, Mroczyńska, Karina   +3 more
openaire   +3 more sources