Relevant bibliographies by topics / Cocrystallization studies

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Academic literature on the topic 'Cocrystallization studies'

Author: Grafiati
Published: 6 September 2023

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Journal articles on the topic "Cocrystallization studies"

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Ren, Zhongqi, Xinjian Chen, Guojia Yu, Yinglei Wang, Bin Chen, and Zhiyong Zhou. "Molecular simulation studies on the design of energetic ammonium dinitramide co-crystals for tuning hygroscopicity." CrystEngComm 22, no. 31 (2020): 5237–44. http://dx.doi.org/10.1039/d0ce00602e.

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Timofeeva, Tatiana, Sofia Antal, Sergiu Draguta, Karla Ordonez, Raul Castaneda, and Evgeniya Leonova. "Cocrystallization of acetaminophen and glutaric acid with different coformers." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1028. http://dx.doi.org/10.1107/s2053273314089712.

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Recently cocrystallization became a popular tool for crystal engineering that allows, for instance, improving properties of pharmaceutical materials, creating new materials for nonlinear optical applications and solar cell technologies. To attract students to crystallographic studies we carried out project that included crystal growth of two series of cocrystals with acetaminophen and with dicarbonic glutaric acid. We attempted cocrystallization of acetaminophen with more than ten different coformers which gave no cocrystals or salts. However, as a result of cocrystallization we obtained new polymorph modification of hydroxyquinoline. On the contrary, cocrystallization of glutaric acid with basic organic compounds gave several new salts. Interesting examples among them are systems of glutaric acid with 2-pyridinamine and with 6-methyl-2-pyridinamine. In spite of the presence of the same substituents that are prone to H-bond formation, cocrystals have different H-bonding systems and even different molecular conformation of glutaric acid. Details of physical properties, such as spectral characteristics and melting points, of obtained multicomponent materials are discussed.
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Manoj, K., Rui Tamura, Hiroki Takahashi, and Hirohito Tsue. "Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies." CrystEngComm 16, no. 26 (2014): 5811–19. http://dx.doi.org/10.1039/c3ce42415d.

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Duan, Binghui, Yuanjie Shu, Ning Liu, Yingying Lu, Bozhou Wang, Xianming Lu, and Jiaoqiang Zhang. "Comparative studies on structure, sensitivity and mechanical properties of CL-20/DNDAP cocrystal and composite by molecular dynamics simulation." RSC Advances 8, no. 60 (2018): 34690–98. http://dx.doi.org/10.1039/c8ra07387b.

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Asojo, Oluwatoyin Ajibola, Oluyomi Adebola Asojo, Michelle N. Ngamelue, Kohei Homma, and Oksana Lockridge. "Cocrystallization studies of full-length recombinant butyrylcholinesterase (BChE) with cocaine." Acta Crystallographica Section F Structural Biology and Crystallization Communications 67, no. 4 (March 24, 2011): 434–37. http://dx.doi.org/10.1107/s1744309111004805.

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Xu, Jia, Qin Shi, Yanan Wang, Yong Wang, Junbo Xin, Jin Cheng, and Fang Li. "Recent Advances in Pharmaceutical Cocrystals: A Focused Review of Flavonoid Cocrystals." Molecules 28, no. 2 (January 6, 2023): 613. http://dx.doi.org/10.3390/molecules28020613.

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Cocrystallization is currently an attractive technique for tailoring the physicochemical properties of active pharmaceutical ingredients (APIs). Flavonoids are a large class of natural products with a wide range of beneficial properties, including anticancer, anti-inflammatory, antiviral and antioxidant properties, which makes them extensively studied. In order to improve the properties of flavonoids, such as solubility and bioavailability, the formation of cocrystals may be a feasible strategy. This review discusses in detail the possible hydrogen bond sites in the structure of APIs and the hydrogen bonding networks in the cocrystal structures, which will be beneficial for the targeted synthesis of flavonoid cocrystals. In addition, some successful studies that favorably alter the physicochemical properties of APIs through cocrystallization with coformers are also highlighted here. In addition to improving the solubility and bioavailability of flavonoids in most cases, flavonoid cocrystals may also alter their other properties, such as anti-inflammatory activity and photoluminescence properties.
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Hiendrawan, Stevanus, Bambang Veriansyah, and Raymond R. Tjandrawinata. "SOLID-STATE PROPERTIES AND SOLUBILITY STUDIES OF NOVEL PHARMACEUTICAL COCRYSTAL OF ITRACONAZOLE." International Journal of Applied Pharmaceutics 10, no. 5 (September 8, 2018): 97. http://dx.doi.org/10.22159/ijap.2018v10i5.26663.

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Objective: Pharmaceutical cocrystal is a promising method to improve the solubility of active pharmaceutical ingredients (APIs). Itraconazole (ITZ) is a BCS class II antifungal drug with poor aqueous solubility, therefore an attempt was made to improve the solubility of ITZ using cocrystallization technique. In this work, six novel pharmaceutical cocrystals of ITZ with various coformers, including 4-hydroxybenzoic acid (4HBA), trans-cinnamic acid (TCA), suberic acid (SUB), sebacic acid (SBC), 1-hydroxy-2-naphthoic acid (1H2N), and benzamide (BZD) were prepared.Methods: ITZ cocrystals was prepared by solvent evaporation process. The cocrystals produced were characterized using powder x-ray diffraction (PXRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and fourier transform infrared (FTIR) spectroscopy. Solubility analysis was performed to evaluate the cocrystals.Results: PXRD and DSC analysis revealed that the pattern of all ITZ cocrystals was distinguishable from the individual compounds which indicates the formation of new phase. The solubility of ITZ and its cocrystals from highest to lowest after 24 h in 0.1 N HCl solution (pH 1.2) follows the order ITZ-TCA (1.97-fold), ITZ-SBC (1.09-fold), ITZ, ITZ-1H2N (0.58-fold) and ITZ-4HBA (0.46-fold).Conclusion: This study demonstrates that the selection of coformers has pronounced an impact on the physicochemical properties of ITZ. Based on this study, it can be concluded that cocrystallization offers a valuable way to improve the solubility of ITZ.
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Mikheev, N. B., I. V. Melikhov, and S. A. Kulyukhin. "Cocrystallization processes in physicochemical studies of radioactive elements in various media." Radiochemistry 49, no. 6 (December 2007): 549–60. http://dx.doi.org/10.1134/s106636220706001x.

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Shahbaz, Muhammad, Umair Ahmed Khan, M. Iqbal Chaudhary, and Sammer Yousuf. "A new bioactive cocrystal of coumarin-3-carboxylic acid and thiourea: detailed structural features and biological activity studies." Acta Crystallographica Section C Structural Chemistry 78, no. 3 (February 16, 2022): 192–200. http://dx.doi.org/10.1107/s205322962200081x.

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Cocrystallization is a phenomenon widely used to enhance the biological and physicochemical properties of active pharmaceutical ingredients (APIs). The present study deals with the synthesis of a cocrystal of coumarin-3-carboxylic acid (2-oxochromene-3-carboxylic acid, C10H6O4), a synthetic analogue of the naturally occurring antioxidant coumarin, with thiourea (CH4N2S) using the neat grinding method. The purity and homogeneity of the coumarin-3-carboxylic acid–thiourea (1/1) cocrystal was confirmed by single-crystal X-ray diffraction, FT–IR analysis and thermal stability studies based on differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Detailed geometry analysis via density functional theory (DFT) demonstrated that the 1:1 cocrystal stoichiometry is sustained by N—H...O hydrogen bonding between the amine (–NH2) groups of thiourea and the carbonyl group of coumarin. The synthesized cocrystal exhibited potent antioxidant activity (IC50 = 127.9 ± 5.95 µM) in a DPPH radical scavenger assay in vitro in comparison with the standard N-acetyl-L-cysteine (IC50 = 111.6 ± 2.4 µM). The promising results of the present study highlight the significance of cocrystallization as a crystal engineering tool to improve the efficacy of pharmaceutical ingredients.
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Carlucci, Lucia, and Angelo Gavezzotti. "A quantitative measure of halogen bond activation in cocrystallization." Physical Chemistry Chemical Physics 19, no. 28 (2017): 18383–88. http://dx.doi.org/10.1039/c7cp03322b.

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Dissertations / Theses on the topic "Cocrystallization studies"

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Ganduri, Ramesh. "Cocrystallization Studies Extending from Small Molecules to Proteins: a) Cocrystals, Salts and Eutectics, b) Chemical, Structural and Biological Evaluation of Anthrapyrazolones as Inhibitors of JNK proteins." Thesis, 2018. https://etd.iisc.ac.in/handle/2005/5363.

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In summary, we have designed and synthesized three halogenated derivatives of 1,9- pyrazoloanthrone. The involvement of halogen bonding provides highly directional interactions in the binding pocket and hence demonstrates improved inhibitory activity. Among the three halogenated derivatives of 1,9-pyrazoloanthrone, R3 exhibits the most specific inhibition of JNKs activity at significantly lower concentrations (1M) compared to R1, R2 and SP600125 with no off-target effects on other kinases such as p38 and ERK1/2. Further, R3 being a potent and specific inhibitor of JNKs, regulates LPStriggered expressions of chemokines in macrophages. R3 appears as the best designed inhibitor and hence may facilitate the development of novel therapeutics to treat JNKs associated disorders. Therefore, current study proposes R3 as a better alternative for SP600125 to inhibit JNKs activity and may act as a promising tool to comprehend the physiological role of JNKs for therapeutic benefits
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Seera, Raviteja. "The Crystal Form Diversity From Cocrystals To Eutectics: Design, Synthesis, Production And Property Evaluation." Thesis, 2020. https://etd.iisc.ac.in/handle/2005/4939.

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This thesis aims to design and synthesize organic molecules to generate properties like SHG, ferroelectric and dielectric. In continuation, we have done cocrystallization studies to study the trend in between the two extremums and also evaluated the particle size as well as the particle size distribution and paved the way for the bulk production in quick time using a thermal inkjet printer. Also, we have studied and analyzed the priorities of hydrogen bond and halogen bond formation involving organic fluorine. Chapter 1 discusses the multi-component adducts of benzoic acid with differently substituted fluorobenzoic acid combinations to study the trend from solid solutions to cocrystals. The emphasis is on obtaining fundamental insights into the unusual behaviour of organic fluorine's when they are combined with benzoic acid. Chapter 2 proposes a new printing protocol to produce organic "cocrystals, eutectics, solid solutions" of interest using a thermal inkjet printer. The reduction in particle size and uniform particle size distribution have been evaluated in the multi-component adducts of API “Metronidazole”. Chapter 3 describes the preferences of Halogen Bonding and Hydrogen Bonding in selectively designed "4- halophenyl 4' -halo-2',3',5',6'-fluorobenzamides". The halogen bond's strength is varied by incorporating different halogens, and its effect on packing has been studied. Chapter 4 focuses on synthesis of N-benzylidineaniline analogues and connect them to the material applications like second harmonic generation, ferroelectric, and dielectric properties. The analysis and quantification of disorder in the nitro derivative and concomitant polymorphism in hydroxy derivative are crystallographically resolved by using single-crystal XRD technique.
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