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Nucleic-acid-base photofunctional cocrystal for information security and antimicrobial applications
Cocrystal engineering is an efficient and simple strategy to construct functional materials, especially for the exploitation of novel and...
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Molecule configurations modulate packing array and charge transfer in cocrystal engineering
Organic cocrystal as an emerging assembly strategy has received increasing attention in constructing multiple functional materials, through...
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Optimized solubility and bioavailability of genistein based on cocrystal engineering
With various potential health-promoting bioactivities, genistein has great prospects in treatment of a series of complex diseases and metabolic...
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Molecular dynamics simulation of CL20/DNDAP cocrystal-based PBXs
ContextCL-20/DNDAP cocrystal is a promising new type of explosive with exceptional energy density and detonation parameters. However, compared to...
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Optimisation of Pharmaceutical Cocrystal Dissolution Performance through a Synergistic Precipitation Inhibition
ObjectivesPolymeric excipients play an important role in a cocrystal formulation to act as precipitation inhibitors to maximize the potential....
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Periodic DFT study of structural transformations of cocrystal CL-20/MMI under high pressure
ContextThe crystal and molecular structure, electronic properties, optical parameters, and elastic properties of a 1:2 hexanitrohexaazaisowurtzitane...
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Theoretical investigation to predict properties of CL-20/HMX cocrystal explosive with adulteration crystal defect: a molecular dynamics (MD) study
To explore the effects of adulteration crystal defect on performances of...
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Molecular dynamics (MD) study to predict performances of a novel hexanitrohexaazaisowurtzitane/1,4-dinitroimidazole (CL-20/1,4-DNI) energetic cocrystal under different temperatures
ContextTo estimate the influence of temperature on properties of 2,4,6,8,10,12-hexanitro- 2,4,6,8,10,12-hexaazaisowurtzitane/1,4-dinitroimidazole...
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Solubility and Dissolution Enhancement of Luliconazole by a Cocrystal Engineering Technique with Different Coformers
IntroductionIn this article, we demonstrate the application of cooling crystallization to generate novel solid forms of drug-coformer cocrystal...
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Photothermal conversion mechanism of the dibenzotetrathiafulvalene-tetracyanobenzene cocrystal based on the transitions between the ground and excited states
Organic cocrystals have been bringing hope and vitality into several fields, such as photothermal imaging, biological application, and seawater...
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Integrating dual photoresponsive molecules via a cocrystal strategy: photosalient effects, negative photochromism, and fluorescence enhancement
Integrating multiresponsive molecules into a single crystal is a novel attempt in the area of photomechanical crystalline materials. In this work, a...
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Designing and property prediction of a novel three-component CL-20/HMX/TNAD energetic cocrystal explosive by MD method
ContextCocrystallization technology can effectively regulate crystal structure, alter packing mode, and improve physicochemical performances of...
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Solvent-assisted investigation of NLO responses of 3,5-dihydroxybenzoic acid and pyrazine-2-carboxamide cocrystal
In recent years, there has been a growing interest in cocrystals as potential materials for nonlinear optical (NLO) applications due to their...
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Theoretical prediction on performance of a novel CL-20/bicyclo-HMX energetic cocrystal by MD method
In this article, a novel energetic cocrystal composed of CL-20 and bicyclo-HMX was designed. The crystal models of pure components (CL-20, and...
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Cocrystals of polynitrogen compounds as a basis for promising energetic materials: crystal structure prediction methods, their experimental verification, and evaluation of cocrystal properties
The review concerns methods for modeling the crystal structure of polynitrogen compounds and their cocrystals. The state of the art in chemical...
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Effects of Surfactant and Polymer on Thermodynamic Solubility and Solution Stability of Carbamazepine–Cinnamic Acid Cocrystal
This study was aimed at evaluating the solubility and solution stability of a cocrystal form of carbamazepine with cinnamic acid in the presence of...
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Asiatic acid cyclodextrin inclusion micro-cocrystal for insoluble drug delivery and acute lung injury therapy enhancement
BackgroundAcute lung injury (ALI) is a fatal respiratory disease caused by overreactive immune reactions (e.g., SARS-CoV-2 infection), with a high...
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Characterization of A π–π stacking cocrystal of 4-nitrophthalonitrile directed toward application in photocatalysis
Photoexcitation of the electron-donor-acceptor complexes have been an effective approach to achieve radicals by triggering electron transfer....
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Selective epitaxial growth of organic heterostructure via cocrystal engineering: Towards oriented signal conversion
The integration of multiple components with different functionalities into a hierarchical organic nanosystem (HON) has attracted significant...
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Cocrystal Prediction of Nifedipine Based on the Graph Neural Network and Molecular Electrostatic Potential Surface
Nifedipine (NIF) is a dihydropyridine calcium channel blocker primarily used to treat conditions such as hypertension and angina. However, its low...
