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Relevant bibliographies by topics / Supramolecular Cocrystal

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Journal articles
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Academic literature on the topic 'Supramolecular Cocrystal'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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Journal articles on the topic "Supramolecular Cocrystal"

1

Li, Duanxiu, Minmin Kong, Jiong Li, Zongwu Deng, and Hailu Zhang. "Amine–carboxylate supramolecular synthon in pharmaceutical cocrystals." CrystEngComm 20, no. 35 (2018): 5112–18. http://dx.doi.org/10.1039/c8ce01106k.

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Four novel pharmaceutical cocrystals of l-proline were obtained via combined virtual and experimental screening. The results confirm that an amine–carboxylate supramolecular synthon can be used for pharmaceutical cocrystal design.

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Wan, Mei, Jiyuan Fang, Jiadan Xue, et al. "Pharmaceutical Cocrystals of Ethenzamide: Molecular Structure Analysis Based on Vibrational Spectra and DFT Calculations." International Journal of Molecular Sciences 23, no. 15 (2022): 8550. http://dx.doi.org/10.3390/ijms23158550.

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Pharmaceutical cocrystals can offer another advanced strategy for drug preparation and development and can facilitate improvements to the physicochemical properties of active pharmaceutical ingredients (APIs) without altering their chemical structures and corresponding pharmacological activities. Therefore, cocrystals show a great deal of potential in the development and research of drugs. In this work, pharmaceutical cocrystals of ethenzamide (ETZ) with 2,6-dihydroxybenzoic acid (26DHBA), 2,4-dihydroxybenzoic acid (24DHBA) and gallic acid (GA) were synthesized by the solvent evaporation metho

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Bosch, Eric, and Nathan P. Bowling. "Co-operative halogen bonds and nonconventional sp-C—H...O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and N-halosuccinimides." Acta Crystallographica Section C Structural Chemistry 78, no. 7 (2022): 424–29. http://dx.doi.org/10.1107/s2053229622006635.

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The rapid evaporation of 1:1 solutions of diethynylpyridines and N-halosuccinimides, that react together to form haloalkynes, led to the isolation of unreacted 1:1 cocrystals of the two components. The 1:1 cocrystal formed between 2,6-diethynylpyridine and N-iodosuccinimide (C4H4INO2·C9H5N) contains an N-iodosuccinimide–pyridine I...N halogen bond and two terminal alkyne–succinimide carbonyl C—H...O hydrogen bonds. The three-dimensional extended structure features interwoven double-stranded supramolecular polymers that are interconnected through halogen bonds. The cocrystal formed between 3,5-

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Mir, Niyaz A., Ritesh Dubey, and Gautam R. Desiraju. "Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence." IUCrJ 3, no. 2 (2016): 96–101. http://dx.doi.org/10.1107/s2052252515023945.

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A synthetic strategy is described for the co-crystallization of four- and five-component molecular crystals, based on the fact that if any particular chemical constituent of a lower cocrystal is found in two different structural environments, these differences may be exploited to increase the number of components in the solid. 2-Methylresorcinol and tetramethylpyrazine are basic template molecules that allow for further supramolecular homologation. Ten stoichiometric quaternary cocrystals and one quintinary cocrystal with some solid solution character are reported. Cocrystals that do not lend

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Dubey, Ritesh, Niyaz A. Mir, and Gautam R. Desiraju. "Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)." IUCrJ 3, no. 2 (2016): 102–7. http://dx.doi.org/10.1107/s2052252515023957.

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A synthetic strategy is outlined whereby a binary cocrystal may be developed in turn into a ternary and finally into a quaternary cocrystal. The strategy hinges on the concept of the long-range synthon Aufbau module (LSAM) which is a large supramolecular synthon containing more than one type of intermolecular interaction. Modulation of these interactions may be possible with the use of additional molecular components so that higher level cocrystals are produced. We report six quaternary cocrystals here. All are obtained as nearly exclusive crystallization products when four appropriate solid c

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Bolla, Geetha, Sudhir Mittapalli, and Ashwini Nangia. "Celecoxib cocrystal polymorphs†." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1566. http://dx.doi.org/10.1107/s2053273314084332.

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Celecoxib (CEL) is a well-known nonsteroidal anti-inflammatory drug (NSAID) and selectively used from the cocxib family. It is a specific COX-2 inhibitor for pain and inflammation without inhibiting COX-1. A major downside of this popular NSAID is its poor aqueous solubility (9 mg L–1), which limits bioavailability (40%). Several methods were attempted in recent past to overcome solubility issues of the drug. A metastable form-IV showed four times greater solubility and improved bioavailability compared to commercial CEL form-III. Cocrystal of CEL with nicotinamide (CEL–NIC) is reported, but i

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Tupe, Suraj Ankush, Shital Prabhakar Khandagale, and Amrapali B. Jadhav. "Pharmaceutical Cocrystals: An Emerging Approach to Modulate Physicochemical Properties of Active Pharmaceutical Ingredients." Journal of Drug Delivery and Therapeutics 13, no. 4 (2023): 101–12. http://dx.doi.org/10.22270/jddt.v13i4.6016.

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Most of the Active Pharmaceutical Ingredients (APIs) are typically formulated and administered to patients in oral solid dosage forms due to ease of administration, patient compliance and cost effectiveness. Poor water solubility, low permeability and low bioavailability of APIs are major hurdles in development of oral solid dosage forms. In recent years, cocrystal development has evolved as a feasible approach for enhancing the solubility and bioavailability of poorly soluble drugs. Crystal engineering strategies have been asserted to enhance the likelihood of discovering new solid forms of a

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Liu, Yan, Chongwei An, Jin Luo, and Jingyu Wang. "High-density HNIW/TNT cocrystal synthesized using a green chemical method." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74, no. 4 (2018): 385–93. http://dx.doi.org/10.1107/s2052520618008442.

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The main challenge for achieving better energetic materials is to increase their density. In this paper, cocrystals of HNIW (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, often referred to as CL-20) with TNT (2,4,6-trinitrotoluene) were synthesized using ethanol in a green chemical method. The cocrystal was formulated as C13H11N15O18 and possesses a higher density (1.934 g cm−3) than published previously (1.846 g cm−3). This high-density cocrystal possesses a new structure, which can be substantiated by the different types of hydrogen bonds. The predominant driving forces that co

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Quentin, Jay, Dale C. Swenson, and Leonard R. MacGillivray. "Supramolecular Sandwiches: Halogen-Bonded Coformers Direct [2+2] Photoreactivity in Two-Component Cocrystals." Molecules 25, no. 4 (2020): 907. http://dx.doi.org/10.3390/molecules25040907.

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The halogen-bond (X-bond) donors 1,3- and 1,4-diiodotetrafluorobenzene (1,3-di-I-tFb and 1,4-di-I-tFb, respectively) form cocrystals with trans-1,2-bis(2-pyridyl)ethylene (2,2′-bpe) assembled by N···I X-bonds. In each cocrystal, 2(1,3-di-I-tFb)·2(2,2′-bpe) and (1,4-di-I-tFb)·(2,2′-bpe), the donor molecules support the C=C bonds of 2,2′-bpe to undergo an intermolecular [2+2] photodimerization. UV irradiation of each cocrystal resulted in stereospecific and quantitative conversion of 2,2′-bpe to rctt-tetrakis(2-pyridyl)cyclobutane (2,2′-tpcb). In each case, the reactivity occurs via face-to-face

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Marquez, Jason, Egor Novikov, Sergei Rigin, et al. "Exploiting Supramolecular Synthons in Cocrystals of Two Racetams with 4-Hydroxybenzoic Acid and 4-Hydroxybenzamide Coformers." Chemistry 5, no. 2 (2023): 1089–100. http://dx.doi.org/10.3390/chemistry5020074.

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Structures of three cocrystals of nootropic racetams were studied. They included two cocrystals of phenylpiracetam (PPA) with 4-hydroxybenzoic acid (HBA) with different stoichiometries, PPA·HBA and PPA·2HBA, and cocrystal of 2-(4-phenyl-2-oxopyrrolidin-1-yl)-N’-isopropylideneacetohydrazide (PPAH) with 4-hydroxybenzamide (HBD), PPAH·HBD·(acetone solvate). X-ray study of the pure forms of PPA and PPAH was also carried out to identify variations of molecular synthons under the influence of conformers. The cocrystal structures revealed the diversity of supramolecular synthons namely, amide-amide,

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Dissertations / Theses on the topic "Supramolecular Cocrystal"

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Forbes, Safiyyah. "Hydrogen-bond driven supramolecular chemistry for modulating physical properties of pharmaceutical compounds." Diss., Manhattan, Kan. : Kansas State University, 2010. http://hdl.handle.net/2097/3756.

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Emery, Paul Ralph. "Multicomponent Cocrystals and Solid Solutions based on a Two-Point Hydrogen Bond Synthon." Digital WPI, 2009. https://digitalcommons.wpi.edu/etd-theses/102.

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Herein we describe a straight-forward and reproducible method for the preparation of homogeneous, multicomponent cocrystals and supramolecular solid solutions. We prepared these multicomponent materials based on small organic molecules that employ a two-point supramolecular hydrogen bond synthon. We report the creation and characterization of two, three, four, five, and seven component crystals containing a variety of 2-aminopyridines and monosubstituted benzoic acids. These systems exhibit the ability to accommodate multiple components in varying proportions while coordinating into an identic

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Dutta, Saikat. "Solid-state reactions in co-crystals: applications in synthetic chemistry and materials science." Diss., University of Iowa, 2010. https://ir.uiowa.edu/etd/491.

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Chemistry is on the verge of a new era where the attention of chemists has shifted from covalent bonds to noncovalent interactions and their use as a predictable way to guide reactions pathways and product formation. Nature synthesizes elegant molecules under mild conditions and the designed syntheses have been demonstrated to be largely dependent on recognition, self-assembly and templating effects between molecular building blocks. Although covalent synthesis in fluidic medium via supramolecular control has been achieved with limited success, organic solid state has been of particular intere

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Oburn, Shalisa M. "Applications in supramolecular chemistry and solid-state reactivity: template-mediated solid-state reactions, dynamic covalent chemistry, mechanochemistry, and pharmaceutical co-crystals." Diss., University of Iowa, 2019. https://ir.uiowa.edu/etd/7004.

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Supramolecular chemistry and crystal engineering seek to control molecular packing in the solid state to influence the physical and chemical properties of crystalline solid materials. A goal of supramolecular chemistry that seeks to control molecular packing in the solid state focuses on exploiting non-covalent interactions to assemble molecules into desirable arrangements. Strategies implemented to control molecular packing rely on strong, directional interactions such as hydrogen bonding, halogen bonding, and metal coordination to direct localized arrangement of molecules in solids. In this

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Clarke, Heather Dawn Marie. "Crystal Engineering of Multi-Component Crystal Forms: The Opportunities and Challenges in Design." Scholar Commons, 2012. http://scholarcommons.usf.edu/etd/4013.

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There is heightened interest to diversify the range of crystal forms exhibited by active pharmaceutical ingredients (APIs) in the pharmaceutical industry. The crystal form can be regarded as the Achilles' heel in the development of an API as it directly impacts the physicochemical properties, performance and safety of the API. This is of critical importance since the crystal form is the preferred method of oral drug delivery by industry and regulatory bodies. The ability to rationally design materials is a lucrative avenue towards the synthesis of functional molecular solids with customi

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Cheney, Miranda L. "The Role of Cocrystals in Solid-State Synthesis of Imides and the Development of Novel Crystalline Forms of Active Pharmaceutical Ingredients." Scholar Commons, 2009. http://scholarcommons.usf.edu/etd/3693.

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With a greater understanding of the fundamentals of crystal engineering lays the potential for the development of a vast array of novel materials for a plethora of applications. Addressed herein is the latent potential of the current knowledge base with an emphasis upon cocrystallization and the desire for scientific exploration that will lead to the development of a future generation of novel cocrystals. The focus of this dissertation is to expand the cocrystallization knowledge base in two directions with the utilization of cocrystals in the novel synthetic technique of cocrystal controlled

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Peterson, Katherine Elizabeth. "Topics in supramolecular chemistry: nanococrystals, chiral cocrystals, and acoustic mixing." Diss., University of Iowa, 2019. https://ir.uiowa.edu/etd/7014.

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The synthesis of new molecules is often initiated with the desire to create unique materials that have specific functions and/or properties. The materials are often used in areas such as pharmaceuticals, medical imaging, and energetics. Preparation of these materials utilizes fundamental rules that define how molecules interact with each other in a solid. My research focuses on employing the established concepts to predict how certain molecules interact and assessing the solid form that results (crystal structure) from these interactions. The solids investigated in my research are composed of

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Sander, John Roy George. "Expansions of supramolecular chemistry: nanocrystals, pharmaceutical cocrystals, imaging, and decorated olefins." Diss., University of Iowa, 2012. https://ir.uiowa.edu/etd/3527.

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Crystal engineering has matured into a design-driven field based on the exploitation of reliable interactions between the functional groups of molecules so as to achieve desired properties. The utility of crystal engineering has been realized in a breadth of fields and, as a microcosm of crystal engineering, this thesis will explore the application of crystal engineering in the pharmaceutical sciences, nanotechnology, synthetic chemistry, materials science, and biomedical imaging. As the trend in drug development continues to skew towards molecules with poor aqueous solubility the ability impr

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Aboarayes, Dalia A. "Crystal Engineering of Nutraceutical Cocrystals." Scholar Commons, 2009. https://scholarcommons.usf.edu/etd/1820.

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The work presented herein focus upon crystal engineering of nutraceutical cocrystals. Cocrystals are considered unique solid dosage form which has many advantages over other traditionally known solid forms. Furthermore, cocrystals have proven to improve stability, solubility and bioavailability of Active Pharmaceutical Ingredient (API) as shown in the case of carbamazepine and other APIs in previous studies. Crystal engineering is commonly used to design new solid forms based on the bases of supramolecular chemistry. In this study, crystal engineering based on intensive Cambridge Structural Da

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Pujari, Twarita Anil. "Cocrystals of nutraceuticals: Protocatechuic acid and quercetin." Scholar Commons, 2009. http://scholarcommons.usf.edu/etd/2156.

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The cocrystallization of two or more pure compounds by crystal engineering to create a new functional material is of a great academic and industrial interest. Pharmaceutical cocrystallization has allured a lot of attention by means of altering the physicochemical properties of Active Pharmaceutical Ingredient (API) such as solubility, stability and bioavailability. Crystal engineering of nutraceuticals can produce novel compounds such as pharmaceutical cocrystals. To establish the importance of nutraceutical cocrystallization and its use; polyphenols, a major class of nutraceuticals and potent

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Book chapters on the topic "Supramolecular Cocrystal"

1

Nangia, Ashwini K. "Crystal Engineering, Supramolecular Synthons, and Cocrystal Design." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-2.

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Nangia, Ashwini K. "Other Applications of Cocrystals." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-10.

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Nangia, Ashwini K. "Applications of Pharmaceutical Cocrystals." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-5.

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Nangia, Ashwini K. "Commercial Outlook of Pharmaceutical Cocrystals." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-7.

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Nangia, Ashwini K. "Continuous Manufacturing of Cocrystals and Salts." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-6.

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Nangia, Ashwini K. "Design and Methodology of Pharmaceutical Cocrystals." In Supramolecular Synthons in Crystal Engineering of Pharmaceutical Properties. CRC Press, 2024. http://dx.doi.org/10.1201/9781003260073-4.

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Chavan, Rahul B., and Nalini R. Shastri. "Overview of Multicomponent Solid Forms." In Alternative Pain Management. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-1680-5.ch004.

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Multi-drug therapy involves the simultaneous or sequential administration of two or more drugs with similar or different mechanisms of action and is efficient in combating various ailments such as cancer, diabetes, and rheumatoid arthritis. It has emerged advantageous due to larger therapeutic benefits, an increase in patient compliance, lower administrative costs, and reduced number of prescriptions. In the recent past, the clinical success of the Novartis product Entresto (sacubitril, disodium valsartan and water) and Esteve product E-58425 (tramadol and celecoxib) has boosted the developmen

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Lascialfari, L., G. Resnati, and P. Metrangolo. "Halogen-Bonded Cocrystals." In Comprehensive Supramolecular Chemistry II. Elsevier, 2017. http://dx.doi.org/10.1016/b978-0-12-409547-2.12599-5.

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Stojakovic, Jelena, and Leonard R. MacGillivray. "Cocrystals and Templates to Control Solid-State [2+2] Photodimerizations." In Comprehensive Supramolecular Chemistry II. Elsevier, 2017. http://dx.doi.org/10.1016/b978-0-12-409547-2.12600-9.

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