A5034464477- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Molecular Sensors and Ion Detection
- Luminescence and Fluorescent Materials
- Crystal structures of chemical compounds
- Chemical Thermodynamics and Molecular Structure
- Computational Drug Discovery Methods
- Molecular spectroscopy and chirality
- Analytical Chemistry and Chromatography
- Energetic Materials and Combustion
- Biochemical effects in animals
- Supramolecular Chemistry and Complexes
- Enzyme Structure and Function
- Catalytic C–H Functionalization Methods
- Porphyrin and Phthalocyanine Chemistry
- Supramolecular Self-Assembly in Materials
- Photochromic and Fluorescence Chemistry
- Catalytic Cross-Coupling Reactions
- Machine Learning in Materials Science
- Metal-Organic Frameworks: Synthesis and Applications
- Innovative concrete reinforcement materials
- Phenothiazines and Benzothiazines Synthesis and Activities
- Nonlinear Optical Materials Research
- Recycled Aggregate Concrete Performance
Shanghai Institute of Materia Medica
2016-2025
Chinese Academy of Sciences
2016-2025
University of Chinese Academy of Sciences
2019-2025
Shandong University of Technology
2023-2024
Nanjing University of Chinese Medicine
2024
Nanchang University
2024
Urology Team
2020
SAIC-GM (China)
2014
Anhui University
2010
Georgetown University
2003-2007
Baicalein (Bai) is one of the most important bioactive flavonoids isolated from well-known traditional Chinese medicine called "Huang Qin". Though it has broad therapeutic capability, bioavailability limited due to its poor solubility. In this study, we aimed modulate solubility through cocrystallization. Cocrystals Bai with isoniazide (Inia), isonicotinamide (Inam), caffeine (Caf), and theophylline (Tph) were obtained. And different cocrystallization methods lead cocrystal phases for Inam...
We utilized the concepts of crystal engineering to acquire cocrystals d/l-proline with a variety flavonoids and further evaluated impact on solubility pharmacokinetic flavonoids. have synthesized characterized six their single structures were revealed. The powder dissolution profiles determined properties for Kae-l-Pro analyzed compared corresponding physical mixture. d/l-Proline was found be suitable coformer structural similar This study may offer an alternative approach development these...
Cocrystal strategies to achieve excellent physiochemical performance under different environmental stress were highlighted here. The lattice energy and the barrier of degradation reactions are two pillars in a stable cocrystal construction.
A chiral 1,8-diacridylnaphthalene-derived fluorosensor has been prepared and used for enantioselective sensing of a broad variety carboxylic acids including amino acids, aliphatic arylalkanoic halogenated acids. Fluorescence titration experiments in acetonitrile gave linear Stern−Volmer plots 1:1 1:2 complexes enantioselectivities up to 4.5.
A practical UV−vis sensing method for enantioselective microanalysis of unprotected amino acids, amines, alcohols, and carboxylic acids in aqueous solution has been developed. Both concentration enantiomeric composition a wide range chiral substrates can be determined with high accuracy by two simple competitive binding assays using scandium complex derived from 1,8-bis(3-(3',5'-dimethylphenyl)-9-acridyl)naphthalene N,N'-dioxide.
Pharmaceutical co-crystals involving two active pharmaceutical ingredients are rarely revealed in the literature. In this work, crystal engineering principles were exercised to guide design and synthesis of Biopharmaceutics Classification System class IV drug dapsone (DAP). We reported six drug–drug DAP with sulfanilamide, flavone, luteolin, caffeine 1:1 stoichiometry, 1:2 2(3H)-benzothiazolone. Bioactive coformers deliberately selected. The resulting fully characterized by a range...
From a 1D sodium-N5- framework, new zeolite-like metal-organic framework (MOF) with fascinating 3D structure was successfully constructed. It exhibited an enhanced thermal stability decomposition temperature (onset) of 129 °C and coordination ability (five-coordination) cyclo-N5- in weak alkaline conditions. The MOF bulky size offers opportunities not only for the formation porous materials but also to control balance between performance polynitrogen materials.
A four-membered square-shaped H-bonding structure was successfully designed to synthesize vitamin D3 co-crystals. The co-crystallization process found be conformationally selective result in topochemically stable materials.
A machine-learning model trained on the whole Cambridge Structural Database was developed to assist high-throughput cocrystal screening. With only 2D structures taken as inputs, probability of formation is returned for two given molecules. All records in CSD were used positive samples, while negative samples constructed by randomly combining different molecules into chemical pairs. Our showed a prediction ability comparable with that widely ab initio method head-to-head comparison test. Both...
Curcumin (CUR) is a natural polyphenolic compound with various pharmacological activities. Low water solubility and bioavailability limit its clinical application. In this work, to improve the of CUR, we prepared new co-crystal curcumin L-carnitine (CUR-L-CN) via liquid-assisted grinding. Both CUR L-CN have high safe dosages wide range applications in liver protection animal nutrition. The was fully characterized crystal structure disclosed. Dissolution experiments were conducted simulated...
A chemo- and regioselective copper-catalyzed cross-coupling procedure for amination of 2-bromobenzoic acids is described. The method eliminates the need acid protection produces N-aryl N-alkyl anthranilic derivatives in up to 99% yield. N-(1-Pyrene)anthranilic has been employed metal ion-selective fluorosensing. Titration experiments showed that this pyrene-derived amino forms an equimolar complex with Hg(II) water resulting selective fluorescence quenching even presence other ions such as...
Co-amorphization has recently been shown to be a promising approach for stabilizing amorphous drugs and improving the dissolution rate of poorly water-soluble drugs. In this study, three basic amino acids were chosen as small molecular weight excipients interact with drug form co-amorphous combinations. The combinations valsartan (VAL) l-histidine, l-arginine, l-lysine prepared by vibrational ball milling. Solid-state characterization X-ray powder diffraction differential scanning...
Two packing polymorphs of drug–drug co-crystals between VD<sub>2</sub> and VD<sub>3</sub> exhibit dramatically different properties. Form A presents superior physicochemical properties compared with or themselves.
Single crystal structures of blockbuster antihypertensive drug Valsartan are revealed the first time in this report. Two new highly crystalline forms, named form E and an ethanol solvate F, were discovered fully characterized by PXRD, Raman, IR, TG, DSC, DVS. Conformational flexibility single discussed detail. Physicochemical properties, such as hygroscopicity, chemical stability, crystallinity, dissolution behaviors, compared with marketed solid-state (amorphous state). The results show...
Four cocrystals of the anti-tuberculosis drug pyrazinamide (PZA) with adipic acid (1), sebacic (2), trans-aconitic (3), and citric (4) were successfully designed synthesised. Their structures determined by single-crystal X-ray diffraction, in which 1 2 displayed one-dimensional chain structures, while 3 4 formed two-dimensional hydrogen-bonded frameworks between PZA coformers. The equilibrium solubility intrinsic dissolution rate (IDR) four itself then determined. results demonstrate that...
In pharmaceutical development, the crystallization process is crucial for isolating and purifying Active Pharmaceutical Ingredients (APIs) using solvents. However, residual solvents left after drying can form solvates, altering crystal properties potentially affecting drug quality. We developed a graph neural network model based on attention mechanisms to predict solvates. The results show that our achieves SOTA compared baseline most metrics predicting solvates by capturing molecular...
Backgroud/Objectives: Silymarin, an extract from milk thistle, is widely recognized for its therapeutic potential in treating liver disorders. However, clinical utility limited by the poor solubility and low bioavailability of key active ingredient, Silybin. In this study, we sought to address issue through development a novel cocrystal Silyin. Methods: Silybin-L-proline was synthesized physicochemical properties were characterized PXRD, TGA, DSC, FTIR. Dissolution tests conducted various pH...
A rigid C2-symmetric 1,8-diacridylnaphthalene N,N'-dioxide fluorosensor has been developed for enantioselective recognition of chiral hydrogen bond donors such as amines and amino acids.
An efficient synthetic route to a sterically crowded 1,8-diheteroarylnaphthalene-derived enantioselective fluorosensor that operates in two different detection modes utilizing fluorescence lifetime and intensity has been developed. Screening of palladium-catalyzed Negishi, Kumada, Suzuki, Hiyama, Stille coupling methods showed the latter affords highly congested 1,8-diarylnaphthalenes superior yields. Despite severe steric hindrance, axially chiral...
Menadione (MD), also known as vitamin K3, has been widely applied in fortified food, feed, and the nutrition industry for its antihemorrhagic activity. However, poor photostability solid state greatly affected biological performance limited applications. With objective to alter topochemical photoreactivity, a cocrystallization approach was employed, three MD cocrystals with naphthoic acids sulfamerazine were designed prepared. Single crystal structures determined, solid-state...
Three isostructural cocrystals of apremilast with nicotinamide, caffeine, and acetylsalicylic acid were successfully designed synthesized on the basis its solvated structures.
The solid-state study of emodin demonstrates the feasibility building new MCL systems <italic>via</italic> controlling transition natural fluorescent dyes.