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Pharmaceutical cocrystals

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https://www.readbyqxmd.com/read/28797789/dry-mechanochemical-synthesis-of-caffeine-oxalic-acid-cocrystals-and-their-evaluation-by-powder-x-ray-diffraction-and-chemometrics
#1
Yuta Otsuka, Akira Ito, Masaki Takeuchi, Hideji Tanaka
We report the effects of dry mechanochemical synthesis conditions on the crystallization of caffeine and oxalic acid 2:1 cocrystal. Caffeine anhydrate (CA) and oxalic acid (OX) dihydrate were grinded at various temperatures, rotation speeds and grinding time. The cocrystal was also synthesized by an organic solvent evaporation method, as a reference. The produced samples were measured by a powder X-ray diffraction (PXRD) analysis. The PXRD spectra suggest that the grinded cocrystal has a lower crystallinity than the evaporated one...
August 7, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28712924/advanced-methodologies-for-cocrystal-synthesis
#2
Dennis Douroumis, Steven A Ross, Ali Nokhodchi
Pharmaceutical cocrystals are multicomponent systems composed of two or more molecules and held together by H-bonding. Currently, cocrystals provide exciting opportunities in the pharmaceutical industry for the development and manufacturing of new medicines by improving poor physical properties of Active Pharmaceutical Ingredients (APIs) such as processability, solubility, stability and bioavailability. According to the recent reclassification, cocrystals are considered as drug polymorph rather a new API which has a significant impact on drug development, regulatory submissions and intellectual property protection...
July 14, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/28699761/comparison-of-intermolecular-forces-in-anhydrous-sorbitol-and-solvent-cocrystals
#3
Teresa M Dierks, Timothy M Korter
The hygroscopicity of solid sorbitol is important for its utilization as a sweetener in the pharmaceutical and food industries. The molecular foundations of sorbitol hydration characteristics are explored here using two solvated cocrystals, sorbitol-water and sorbitol-pyridine. In this work, solid-state density functional theory and terahertz time-domain spectroscopy were used to evaluate the relative stabilities of these cocrystals as compared to anhydrous sorbitol in terms of conformational and cohesive energies...
July 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28690273/current-status-and-promising-future-of-pharmaceutical-cocrystals-in-development-of-oral-dosage-forms
#4
Toshiro Fukami
No abstract text is available yet for this article.
2017: Nihon Yakurigaku Zasshi. Folia Pharmacologica Japonica
https://www.readbyqxmd.com/read/28687528/selection-of-effective-cocrystals-former-for-dissolution-rate-improvement-of-active-pharmaceutical-ingredients-based-on-lipoaffinity-index
#5
Piotr Cysewski, Maciej Przybyłek
New theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification allowed to formulate quantitative criterions. Among considered 3679 molecular descriptors the relative value of lipoaffinity index, expressed as the difference between values calculated for active compound and excipient, has been found as the most appropriate measure suited for discrimination of positive and negative cases...
July 4, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28687273/pharmaceutical-aspects-of-salt-and-cocrystal-forms-of-apis-and-characterization-challenges
#6
Paolo Cerreia Vioglio, Michele R Chierotti, Roberto Gobetto
In recent years many efforts have been devoted to the screening and the study of new solid-state forms of old active pharmaceutical ingredients (APIs) with salification or co-crystallization processes, thus modulating final properties without changing the pharmacological nature. Salts, hydrates/solvates, and cocrystals are the common solid-state forms employed. They offer the intriguing possibility of exploring different pharmaceutical properties for a single API in the quest of enhancing the final drug product...
July 5, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/28652091/investigating-therapeutic-usage-of-combined-ticagrelor-and-aspirin-through-solid-state-and-analytical-studies
#7
Hassane Sadou Yayé, Ivo B Rietveld, Maria Barrio, Philippe-Henri Secrétan, Antoine Faucheron, Maher Karoui, Patrick Tilleul, Najet Yagoubi, Bernard Do
The mainstay treatment for patients with acute coronary syndrome is an oral route dual antiplatelet therapy with a P2Y12-receptor antagonist and Aspirin (ASA). To improve patient adherence to such treatments, combination therapies (polypill) are envisioned. Physicochemical solid-state studies have been carried out to develop a preformulation strategy of ASA with the P2Y12-receptor antagonist Ticagrelor (TIC). The investigations were carried out using differential scanning calorimetry, liquid chromatography-high resolution-multistage mass spectrometry (LC-HR-MS(n)) and as complementary techniques Fourier transform infrared measurements and thermogravimetric analysis...
June 23, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28625724/the-binary-system-of-ibuprofen-nicotinamide-under-nanoscale-confinement-from-cocrystal-to-coamorphous-state
#8
Yanping Bi, Deli Xiao, Shuai Ren, Shuyan Bi, Jianzhu Wang, Fei Li
Coamorphous systems have gained success in stabilizing amorphous drugs and improving their solubility and dissolution. Here we proposed to confine a binary mixture of drug and coformer (CF) within nanopores to obtain a nanoconfined coamorphous (NCA) system. For proving feasibility of this proposal, a poorly water-soluble drug (ibuprofen) and a frequently used pharmaceutical CF (nicotinamide) were loaded into nanopores of mesoporous silica microspheres. The solid state of NCA system was characterized by differential scanning calorimetry, X-ray powder diffraction, infrared spectrum, and solid-state nuclear magnetic resonance...
June 15, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28585942/progress-of-crystallization-in-microfluidic-devices
#9
REVIEW
Huan-Huan Shi, Yan Xiao, Steven Ferguson, Xin Huang, Na Wang, Hong-Xun Hao
Microfluidic technology provides a unique environment for the investigation of crystallization processes at the nano or meso scale. The convenient operation and precise control of process parameters, at these scales of operation enabled by microfluidic devices, are attracting significant and increasing attention in the field of crystallization. In this paper, developments and applications of microfluidics in crystallization research including: crystal nucleation and growth, polymorph and cocrystal screening, preparation of nanocrystals, solubility and metastable zone determination, are summarized and discussed...
June 6, 2017: Lab on a Chip
https://www.readbyqxmd.com/read/28579571/supramolecular-architectures-in-two-1-1-cocrystals-of-5-fluorouracil-with-5-bromothiophene-2-carboxylic-acid-and-thiophene-2-carboxylic-acid
#10
Marimuthu Mohana, Packianathan Thomas Muthiah, Colin D McMillen
In solid-state engineering, cocrystallization is a strategy actively pursued for pharmaceuticals. Two 1:1 cocrystals of 5-fluorouracil (5FU; systematic name: 5-fluoro-1,3-dihydropyrimidine-2,4-dione), namely 5-fluorouracil-5-bromothiophene-2-carboxylic acid (1/1), C5H3BrO2S·C4H3FN2O2, (I), and 5-fluorouracil-thiophene-2-carboxylic acid (1/1), C4H3FN2O2·C5H4O2S, (II), have been synthesized and characterized by single-crystal X-ray diffraction studies. In both cocrystals, carboxylic acid molecules are linked through an acid-acid R2(2)(8) homosynthon (O-H...
June 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/28512568/acemetacin-cocrystal-structures-by-powder-x-ray-diffraction
#11
Geetha Bolla, Vladimir Chernyshev, Ashwini Nangia
Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM-NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form...
May 1, 2017: IUCrJ
https://www.readbyqxmd.com/read/28502182/isotope-edited-infrared-spectroscopy-for-efficient-discrimination-between-pharmaceutical-salts-and-cocrystals
#12
Kentaro Iwata, Masatoshi Karashima, Yukihiro Ikeda
Isotope-edited infrared spectroscopy using carboxylic acids selectively labeled with (13)C is proposed herein for the efficient discrimination of pharmaceutical salts and cocrystals, whereby proton-transfer probe vibrations are highlighted by isotope shifts. This new technique can accurately discriminate even a confusing salt from a cocrystal for the traditional method, highlighting the diagnostic peaks. In addition, the established technique also provided the OH in-plane bending vibrations corresponding to intermolecular hydrogen bonding at the carbonyl oxygens of the cocrystals...
May 26, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28403609/solid-state-nmr-characterization-of-ibuprofen-nicotinamide-cocrystals-and-new-idea-for-controlling-release-of-drugs-embedded-into-mesoporous-silica-particles
#13
Ewa Skorupska, Sławomir Kaźmierski, Marek J Potrzebowski
Grinding and melting methods were employed for synthesis of pharmaceutical cocrystals formed by racemic (R/S) and entiomeric (S) ibuprofen (IBU) and nicotinamide (NA) as coformer. Obtained (R/S)-IBU:NA and (S)-IBU:NA cocrystals were fully characterized by means of advanced one- and two-dimensional solid state nuclear magnetic resonance (SS NMR) techniques with very fast magic angle spinning (MAS) at 60 kHz. The distinction in molecular packing and specific hydrogen bonding pattern was clearly recognized by analysis of (1)H, (13)C, and (15)N spectra...
April 18, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28392495/cocrystal-solubility-product-analysis-dual-concentration-ph-mass-action-model-not-dependent-on-explicit-solubility-equations
#14
Alex Avdeef
A novel general computational approach is described to address many aspects of cocrystal (CC) solubility product (Ksp) determination of drug substances. The CC analysis program, pDISOL-X, was developed and validated with published model systems of various acid-base combinations of active pharmaceutical ingredients (APIs) and coformers: (i) carbamazepine cocrystal systems with 4-aminobenzoic acid, cinnamic acid, saccharin, and salicylic acid, (ii) for indomethacin with saccharin, (iii) for nevirapine with maleic acid, saccharin, and salicylic acid, and (iv) for gabapentin with 3-hydroxybenzoic acid...
April 6, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28355489/encapsulation-of-ibuprofen-in-cd-mof-and-related-bioavailability-studies
#15
Karel J Hartlieb, Daniel P Ferris, James M Holcroft, Irawati Kandela, Charlotte L Stern, Majed S Nassar, Youssry Y Botros, J Fraser Stoddart
Although ibuprofen is one of the most widely used nonsteroidal anti-inflammatory drugs (NSAIDs), it exhibits poor solubility in aqueous and physiological environments as a free acid. In order to improve its oral bioavailability and rate of uptake, extensive research into the development of new formulations of ibuprofen has been undertaken, including the use of excipients as well as ibuprofen salts, such as ibuprofen lysinate and ibuprofen, sodium salt. The ultimate goals of these studies are to reduce the time required for maximum uptake of ibuprofen, as this period of time is directly proportional to the rate of onset of analgesic/anti-inflammatory effects, and to increase the half-life of the drug within the body; that is, the duration of action of the effects of the drug...
April 12, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28344021/pharmaceutical-cocrystals-salts-and-multicomponent-systems-intermolecular-interactions-and-property-based-design
#16
REVIEW
David J Berry, Jonathan W Steed
As small molecule drugs become harder to develop and less cost effective for patient use, efficient strategies for their property improvement become increasingly important to global health initiatives. Improvements in the physical properties of Active Pharmaceutical Ingredients (APIs), without changes in the covalent chemistry, have long been possible through the application of binary component solids. This was first achieved through the use of pharmaceutical salts, within the last 10-15years with cocrystals and more recently coamorphous systems have also been consciously applied to this problem...
March 23, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/28342786/pharmaceutical-solvates-hydrates-and-amorphous-forms-a-special-emphasis-on-cocrystals
#17
REVIEW
Anne Marie Healy, Zelalem Ayenew Worku, Dinesh Kumar, Atif M Madi
Active pharmaceutical ingredients (APIs) may exist in various solid forms, which can lead to differences in the intermolecular interactions, affecting the internal energy and enthalpy, and the degree of disorder, affecting the entropy. Differences in solid forms often lead to differences in thermodynamic parameters and physicochemical properties for example solubility, dissolution rate, stability and mechanical properties of APIs and excipients. Hence, solid forms of APIs play a vital role in drug discovery and development in the context of optimization of bioavailability, filing intellectual property rights and developing suitable manufacturing methods...
March 22, 2017: Advanced Drug Delivery Reviews
https://www.readbyqxmd.com/read/28322394/self-assembly-of-magnesium-seamed-hexameric-pyrogallol-4-arene-nanocapsules
#18
Chen Zhang, Rahul S Patil, Tao Li, Charles L Barnes, Jerry L Atwood
The solvothermal synthesis of a metal-seamed hexameric nanocapsule from pyrogallol[4]arenes and magnesium is reported. The unique non-toxic and biocompatible nature of divalent magnesium cations in addition to the large inherent cavities make these nanocapsules promising for potential application in biomedicine. In addition, we show that these nanocapsules can form cocrystals with pyridine molecules through hydrogen bonding, which sheds light to cocrystallization of supramolecular nanocapsules with small pharmaceutics...
March 21, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28274662/pharmaceutical-properties-of-two-ethenzamide-gentisic-acid-cocrystal-polymorphs-drug-release-profiles-spectroscopic-studies-and-theoretical-calculations
#19
Agnieszka Sokal, Edyta Pindelska, Lukasz Szeleszczuk, Waclaw Kolodziejski
The aim of this study was to evaluate the stability and solubility of the polymorphic forms of the ethenzamide (ET) - gentisic acid (GA) cocrystals during standard technological processes leading to tablet formation, such as compression and excipient addition. In this work two polymorphic forms of pharmaceutical cocrystals (ETGA) were characterized by (13)C and (15)N solid-state nuclear magnetic resonance and Fourier transformed infrared spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of chemical shielding constants...
March 6, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28257022/supramolecular-hydrogen-bonding-patterns-in-1-1-cocrystals-of-5-fluorouracil-with-4-methylbenzoic-acid-and-3-nitrobenzoic-acid
#20
Marimuthu Mohana, Packianathan Thomas Muthiah, Colin D McMillen
The design of a pharmaceutical cocrystal is based on the identification of specific hydrogen-bond donor and acceptor groups in active pharmaceutical ingredients (APIs) in order to choose a `complementary interacting' molecule that can act as an efficient coformer. 5-Fluorouracil (5FU) is a pyrimidine derivative with two N-H donors and C=O acceptors and shows a diversity of hydrogen-bonding motifs. Two 1:1 cocrystals of 5-fluorouracil (5FU), namely 5-fluorouracil-4-methylbenzoic acid (5FU-MBA), C4H3FN2O2·C8H8O2, (I), and 5-fluorouracil-3-nitrobenzoic acid (5FU-NBA), C4H3FN2O2·C7H5NO4, (II), have been prepared and characterized by single-crystal X-ray diffraction...
March 1, 2017: Acta Crystallographica. Section C, Structural Chemistry
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