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Cocrystals

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https://www.readbyqxmd.com/read/29145096/sulfaguanidine-cocrystals-synthesis-structural-characterization-and-their-antibacterial-and-hemolytic-analysis
#1
Syed Sibte Asghar Abidi, Yasser Azim, Shahper Nazeer Khan, Asad U Khan
Sulfaguanidine (SG), belongs to the class of sulfonamide drug used as an effective antibiotic. In the present work, using crystal engineering approach two novel cocrystals of SG were synthesized (SG-TBA and SG-PT) with thiobarbutaric acid (TBA) and 1,10-phenanthroline (PT), characterized by solid state techniques viz., powder X-ray diffraction (PXRD), fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC) and the crystal structures were determined by single crystal X-ray diffraction studies...
November 11, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29132223/comparison-of-the-relative-stability-of-pharmaceutical-cocrystals-consisting-of-paracetamol-and-dicarboxylic-acids
#2
Naoto Suzuki, Masatoshi Kawahata, Kentaro Yamaguchi, Toyofumi Suzuki, Kazuo Tomono, Toshiro Fukami
OBJECTIVE: The aim of this study is to evaluated evaluated the relative stability of pharmaceutical cocrystals consisting of paracetamol (APAP) and oxalic acid (OXA) or maleic acid (MLA). SIGNIFICANCE: These observations of cocrystal stability under various conditions are useful coformer criteria when cocrystals are selected as the API in drug development. METHOD: The relative stability was determined from the preferentially formed cocrystals under various conditions...
November 13, 2017: Drug Development and Industrial Pharmacy
https://www.readbyqxmd.com/read/29112378/nanoscale-control-over-the-mixing-behavior-of-surface-confined-bicomponent-supramolecular-networks-using-an-oriented-external-electric-field
#3
Gangamallaiah Velpula, Joan Teyssandier, Steven De Feyter, Kunal S Mali
Strong electric fields are known to influence the properties of molecules as well as materials. Here we show that by changing the orientation of an externally applied electric field, one can locally control the mixing behavior of two molecules physisorbed on a solid surface. Whether the starting two-component network evolves into an ordered two-dimensional (2D) cocrystal, yields an amorphous network where the two components phase separate, or shows preferential adsorption of only one component depends on the solution stoichiometry...
November 7, 2017: ACS Nano
https://www.readbyqxmd.com/read/29111515/synthon-preference-in-the-cocrystal-of-3-4-5-trifluorophenylboronic-acid-with-urea
#4
Karolina Kopczyńska, Paulina H Marek, Bartłomiej Banaś, Izabela D Madura
The comprehensive description of the crystal structure of a novel 1:1 cocrystal of 3,4,5-trifluorophenylboronic acid with urea, C6H4BF3O2·CH4N2O, is presented. Both components are good candidates for crystal engineering as they can create a variety of supramolecular synthons. The preference for the formation of different hetrosynthons is verified based on theoretical calculations. The syn-anti conformation of boronic acid has been found to be the most favourable in the formation of intermolecular interactions with urea...
November 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/29103527/preface-engineering-of-pharmaceutical-cocrystals-salts-and-polymorphs-advances-and-challenges
#5
EDITORIAL
Dennis Douroumis, Ali Nokhodchi
No abstract text is available yet for this article.
August 1, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/29097226/understanding-the-differences-between-cocrystal-and-salt-aqueous-solubilities
#6
Katie L Cavanagh, Chinmay Maheshwari, Naír Rodríguez-Hornedo
This work challenges the popular notion that pharmaceutical salts are more soluble than cocrystals. There are cocrystals that are more soluble than salt forms of a drug and vice-versa. It all depends on the interplay between the chemistry of both the solid and solution phases. Aqueous solubility, pHmax, and supersaturation index (SA =SCC or Ssalt/SD) of cocrystals and salts of a basic drug, Lamotrigine (LTG), were determined, and mathematical models that predict the influence of cocrystal/salt Ksp and Ka were derived...
October 30, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29091446/insight-into-flufenamic-acid-cocrystal-dissolution-in-the-presence-of-a-polymer-in-solution-from-single-crystal-to-powder-dissolution
#7
Minshan Guo, Ke Wang, Ning Qiao, László Fábián, Ghazala Sadiq, Mingzhong Li
Effects of three polymers, polyethylene glycol (PEG), polyvinylpyrrolidone (PVP), and copolymer of vinylpyrrolidone/vinyl acetate (PVP-VA), on the dissolution behavior of the cocrystals of flufenamic acid with theophylline (FFA-TP CO) and nicotinamide (FFA-NIC CO) were investigated at multiple length scales. At the molecular level, the interactions of crystal surfaces with a polymer were analyzed by observing etching pattern changes using atomic force microscopy. At the macroscopic scale, dissolution rates of particular faces of a single crystal were determined by measurement of the physical retreat velocities of the faces using optical light microscopy...
November 10, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/29071222/pharmaceutical-cocrystal-of-piroxicam-design-formulation-and-evaluation
#8
Prabhakar Panzade, Giridhar Shendarkar, Sarfaraj Shaikh, Pavan Balmukund Rathi
Purpose: Cocrystallisation of drug with coformers is a promising approach to alter the solid sate properties of drug substances like solubility and dissolution. The objective of the present work was to prepare, formulate and evaluate the piroxicam cocrystal by screening various coformers. Methods: Cocrystals of piroxicam were prepared by dry grinding method. The melting point and solubility of crystalline phase was determined. The potential cocrystal was characterized by DSC, IR, XRPD. Other pharmaceutical properties like solubility and dissolution rate were also evaluated...
September 2017: Advanced Pharmaceutical Bulletin
https://www.readbyqxmd.com/read/29058012/taming-photo-induced-oxidation-degradation-of-dihydropyridine-drugs-through-cocrystallization
#9
Qihui Yu, Zhicheng Yan, Junjie Bao, Jian-Rong Wang, Xuefeng Mei
Cocrystallization of nifedipine (NFD) and isonicotinamide (INA) resulted in two monotropic cocrystal polymorphs. The thermodynamically more stable polymorph presents superior photostability compared to the other. Cocrystallization can be an efficient approach to address the stability deficit of dihydropyridine drugs.
October 23, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29055755/spectroscopic-investigation-on-structure-and-ph-dependent-cocrystal-formation-between-gamma-aminobutyric-acid-and-benzoic-acid
#10
Yong Du, Jiadan Xue, Qiang Cai, Qi Zhang
Vibrational spectroscopic methods, including terahertz absorption and Raman scattering spectroscopy, were utilized for the characterization and analysis of gamma-aminobutyric acid (GABA), benzoic acid (BA), and the corresponding GABA-BA cocrystal formation under various pH values of aqueous solution. Vibrational spectroscopic results demonstrated that the solvent GABA-BA cocrystal, similar as grinding counterpart, possessed unique characteristic features compared with that of starting parent compounds. The change of vibrational modes for GABA-BA cocrystal comparing with starting components indicates there is strong inter-molecular interaction between GABA and BA molecules during its cocrystallization process...
October 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28990387/mechanistic-insight-into-caffeine-oxalic-cocrystal-dissociation-in-formulations-role-of-excipients
#11
Naga Kiran Duggirala, Amber Vyas, Joseph F Krzyzaniak, Kapildev K Arora, Raj Suryanarayanan
Caffeine-oxalic acid cocrystal, widely reported to be stable under high humidity, dissociated in the presence of numerous pharmaceutical excipients. In cocrystal-excipient binary systems, the water mediated dissociation reaction occurred under pharmaceutically relevant storage conditions. Powder X-ray diffractometry was used to identify the dissociated products obtained as a consequence of coformer-excipient interaction. The proposed cocrystal dissociation mechanism involved water sorption, dissolution of cocrystal and excipient in the sorbed water, proton transfer from oxalic acid to the excipient, and formation of metal salts and caffeine hydrate...
November 6, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28989017/mechanistic-basis-of-cocrystal-dissolution-advantage
#12
Fengjuan Cao, Gordon L Amidon, Naír Rodríguez-Hornedo, Gregory E Amidon
Current interest in cocrystal development resides in the advantages that the cocrystal may have in solubility and dissolution compared to the parent drug. This work provides a mechanistic analysis and comparison of the dissolution behavior of carbamazepine (CBZ) and its two cocrystals, carbamazepine-saccharin (CBZ-SAC) and carbamazepine-salicylic acid (CBZ-SLC) under the influence of pH and micellar solubilization. A simple mathematical equation is derived based on the mass transport analyses to describe the dissolution advantage of cocrystals...
October 5, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28987500/evaluating-suspension-formulations-of-theophylline-cocrystals-with-artificial-sweeteners
#13
Srinivasulu Aitipamula, Annie B H Wong, Parijat Kanaujia
Pharmaceutical cocrystals have garnered significant interest as potential solids to address issues associated with formulation development of drug substances. However, studies concerning the understanding of formulation behavior of cocrystals are still at the nascent stage. We present results of our attempts to evaluate suspension formulations of cocrystals of an antiasthmatic drug, theophylline, with 2 artificial sweeteners. Stability, solubility, drug release, and taste of the suspension formulations were evaluated...
October 5, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28981007/first-line-antituberculosis-drug-pyrazinamide-its%C3%A2-pharmaceutically-relevant-cocrystals-and-a-salt
#14
Kashyap Kumar Sarmah, Trishna Rajbongshi, Sourav Bhowmick, Ranjit Thakuria
A few pyrazinamide (Pyz) cocrystals involving hydroxybenzoic/cinnamic acid derivatives [2,4-dihydroxybenzoic acid (24DHBA); 2,6-dihydroxybenzoic acid (26DHBA); 3,5-dihydroxybenzoic acid (35DHBA) and nutraceutical molecule ferulic acid (FRA)] and the first example of a molecular salt with p-toluenesulfonic acid (pTSA) have been prepared and characterized using various solid-state techniques. A high-temperature cocrystal polymorph of Pyz·FRA has been characterized from the endothermic peaks observed using differential scanning calorimetry...
October 1, 2017: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
https://www.readbyqxmd.com/read/28978781/crystal-structure-of-pharmaceutical-cocrystals-of-2-6-diaminopyridine-with-piracetam-and-theophylline
#15
Melissa Hidekel Durán-Palma, Sonia Sanet Mendoza-Barraza, Nancy Evelyn Magaña-Vergara, Francisco Javier Martínez-Martínez, Juan Saulo González-González
Pharmaceutical cocrystals are crystalline solids formed by an active pharmaceutical ingredient and a cocrystal former. The cocrystals 2,6-diaminopyridine (DAP)-piracetam [PIR; systematic name: 2-(2-oxopyrrolidin-1-yl)acetamide] (1/1), C5H7N3·C6H10N2O2, (I), and 2,6-diaminopyridine-theophylline (TEO; systematic name: 1,3-dimethyl-7H-purine-2,6-dione) (1/1), C5H7N3·C7H8N4O2, (II), were prepared by the solvent-assisted grinding method and were characterized by IR spectroscopy and powder X-ray diffraction. Cocrystal (I) crystallized in the orthorhombic space group Pbca and showed a 1:1 stoichiometry...
October 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28968487/simple-and-efficient-synthesis-of-explosive-cocrystals-containing-3-5-dimethylpyrazol-1-yl-substituted-1-2-4-5-tetrazines
#16
Christopher J Snyder, David E Chavez, Gregory H Imler, Edward F C Byrd, Philip W Leonard, Damon A Parrish
The reaction of 3,4-dinitropyrazole, 5-nitrotetrazole, or 4-nitro-1,2,3-triazole with 1,2,4,5-tetrazines substituted with 3,5-dimethylpyrazolyl (dmp) groups results in energetic cocrystals after 1 minute of reflux and cooling to room temperature in yields of 89-92 %. Hydrogen-bonding between the dmp group to the N-H of the energetic heterocycles are the predominant interaction that stabilizes the new cocrystals. Each cocrystal packs in a different lattice structure and the cocrystals with sheet-like and herring-bone crystal packing orientations are less sensitive than the cocrystal with the interlocked structure...
October 2, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28931472/pharmaceutical-cocrystals-salts-and-polymorphs-advanced-characterization-techniques
#17
Edyta Pindelska, Agnieszka Sokal, Waclaw Kolodziejski
The main goal of a novel drug development is to obtain it with optimal physiochemical, pharmaceutical and biological properties. Pharmaceutical companies and scientists modify active pharmaceutical ingredients (APIs), which often are cocrystals, salts or carefully selected polymorphs, to improve the properties of a parent drug. To find the best form of a drug, various advanced characterization methods should be used. In this review, we have described such analytical methods, dedicated to solid drug forms. Thus, diffraction, spectroscopic, thermal and also pharmaceutical characterization methods are discussed...
September 18, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/28929235/comparative-studies-on-structures-mechanical-properties-sensitivity-stabilities-and-detonation-performance-of-cl-20-tnt-cocrystal-and-composite-explosives-by-molecular-dynamics-simulation
#18
Gui-Yun Hang, Wen-Li Yu, Tao Wang, Jin-Tao Wang, Zhen Li
To investigate and compare the differences of structures and properties of CL-20/TNT cocrystal and composite explosives, the CL-20/TNT cocrystal and composite models were established. Molecular dynamics simulations were performed to investigate the structures, mechanical properties, sensitivity, stabilities and detonation performance of cocrystal and composite models with COMPASS force field in NPT ensemble. The lattice parameters, mechanical properties, binding energies, interaction energy of trigger bond, cohesive energy density and detonation parameters were determined and compared...
September 19, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28917964/phenazopyridine-phthalimide-nano-cocrystal-release-rate-and-oral-bioavailability-enhancement
#19
Yu Huang, Jin-Mei Li, Zhi-Hui Lai, Jun Wu, Tong-Bu Lu, Jia-Mei Chen
Both cocrystal and nanocrystal technologies have been widely used in the pharmaceutical development for poorly soluble drugs. However, the synergistic effects due to the integration of these two technologies have not been well investigated. The aim of this study is to develop a nano-sized cocrystal of phenazopyridine (PAP) with phthalimide (PI) to enhance the release rate and oral bioavailability of PAP. A PAP-PI nano-cocrystal with particle diameter of 21.4±0.1nm was successfully prepared via a sonochemical approach and characterized by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and dynamic light scattering (DLS) analysis...
September 14, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28884163/identification-of-a-novel-class-of-brd4-inhibitors-by-computational-screening-and-binding-simulations
#20
Bryce K Allen, Saurabh Mehta, Stuart W J Ember, Jin-Yi Zhu, Ernst Schönbrunn, Nagi G Ayad, Stephan C Schürer
Computational screening is a method to prioritize small-molecule compounds based on the structural and biochemical attributes built from ligand and target information. Previously, we have developed a scalable virtual screening workflow to identify novel multitarget kinase/bromodomain inhibitors. In the current study, we identified several novel N-[3-(2-oxo-pyrrolidinyl)phenyl]-benzenesulfonamide derivatives that scored highly in our ensemble docking protocol. We quantified the binding affinity of these compounds for BRD4(BD1) biochemically and generated cocrystal structures, which were deposited in the Protein Data Bank...
August 31, 2017: ACS Omega
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