Article
Chemistry, Physical
Meng Wang, Jingkang Wang, Na Wang, Wenxi Song, Xin Huang, Ting Wang, Hongxun Hao
Summary: Nucleation, as a crucial process in crystallization, determines the physicochemical properties of crystal products. The mechanism of nucleation is not fully understood due to the complexity of molecular assembly. In this study, the connection between nucleation kinetics and solution chemistry was investigated using 3,5-dinitrobenzoic acid (DNBA) as a model compound. The existing form of DNBA molecules in solutions was analyzed, and the relationship between molecular existing form and nucleation kinetics was revealed. A possible nucleation mechanism of DNBA molecules in solution was proposed.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Frederico Marques Penha, Ashwin Gopalan, Jochem Christoffel Meijlink, Fatma Ibis, Huseyin Burak Eral
Summary: The study proposes a new crystal engineering technique where surfactants in solution self-assemble into mesoscopic structures to control the selective crystallization of polymorphs, providing a new approach for the preparation of polymorphs.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Hongzhi Zheng, Xing Tong, Yuping Zhang, Panchao Yin, Jiwang Yi, Zehong Chen, Haihong Lai, Wei Zhou, Linxin Zhong, Hao Zhuo, Xinwen Peng
Summary: This study successfully achieves the controllable and reversible assembly of nanofibers from natural macromolecules through protonation and deprotonation. The size and morphology of the assembled nanostructures can be precisely controlled by manipulating the electrostatic interaction. The reversible assembly allows for dynamic reorganization of the nanostructure in response to environmental changes.
Article
Chemistry, Multidisciplinary
Hongrong Yin, Kenji Takada, Amit Kumar, Thawinda Hirayama, Tatsuo Kaneko
Summary: An AB-type diketopiperazine monomer based on aspartame was synthesized and used in the polycondensation of high molecular weight homo-polyamides. Random DKP-based copolymers were also synthesized using various amino acids, dicarboxylic acids, and diamines. The self-assembly properties of ADKP and PA1 were studied, revealing the mechanism of particle formation and the relationship between solvent hydrogen bonding strength and morphology.
Article
Engineering, Environmental
Lingyu Sun, Yu Wang, Xiaoxuan Zhang, Feika Bian, Luoran Shang, Yuanjin Zhao, Weijian Sun
Summary: This study introduces novel lubricant infused hierarchical porous surfaces with self-replenishing and self-reporting capacities inspired by the rapid replenishment of Nepenthes nectaries. These hierarchical inverse opal films exhibit liquid-repelling feature on liquids with different surface tensions and have favorable self-replenishment capacity for stable droplet manipulation. The structural colors from the periodic nanostructure could serve as an optical indicator to monitor the wettability of the surfaces.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Hanxu Chen, Shuangshuang Miao, Yuanjin Zhao, Zhiqiang Luo, Luoran Shang
Summary: This study proposes a droplet-confined, magnetic-induced self-assembly strategy for generating rotary structural color spindles (SCSPs) by fast solvent extraction. The as-prepared SCSPs exhibit an orderly close-packed lattice structure, thus appearing brilliant structural colors that serve as encoding tags for multiplexed bioassays. Based on these merits, a portable point-of-care-testing strip integrating the rotary SCSPs is further constructed and the capability and advantages of this platform for multiplexed detection of tumor-related exosomes in clinical samples are demonstrated.
Article
Chemistry, Multidisciplinary
Soon Mo Park, Won-Geun Kim, Junkyu Kim, Eun-Jung Choi, Hyoungsoo Kim, Jin-Woo Oh, Dong Ki Yoon
Summary: Biomacromolecules are likely to exhibit specific collective behavior through self-assembly in the medium, although direct demonstration of this behavior in dynamic systems is limited. A study on the drying process of M13 droplet was conducted, successfully simulated using a doctor blade coating method, showing potential for using biomacromolecules as a scaffold for multi-functional chiral structures.
Review
Chemistry, Physical
Marjolein Dijkstra, Erik Luijten
Summary: This review provides an overview of computational tools and strategies used for the design of soft materials created through self-assembly of colloids and nanoparticles, including simulation methods, machine learning, and reverse-engineering. These tools are essential for guiding experimental synthesis efforts and offer new paradigms for understanding and predicting novel colloidal materials.
Article
Polymer Science
Michele Moris, Marie-Paule Van den Eede, Guy Koeckelberghs, Olivier Deschaume, Carmen Bartic, Koen Clays, Stijn Van Cleuvenbergen, Thierry Verbiest
Summary: The choice of solvent significantly influences both the assembly process and the structure of the final supramolecular assembly when investigating the self-assembly of poly(3-alkylthiophene) in different solvents.
Article
Chemistry, Multidisciplinary
Jiamin Zhang, Jinhui Jiang, Sha Lin, Erik Jan Cornel, Chang Li, Jianzhong Du
Summary: This article introduces the importance of polymersomes in biomedical applications and research progress in macromolecular self-assembly, including polymersomes with different membrane structures and self-assembly methods based on NCA-PISA. These studies help address the biodegradability issue of nanoparticles and explore higher-order polymersome research.
CHINESE JOURNAL OF CHEMISTRY
(2022)
Editorial Material
Chemistry, Physical
Ali Shayanfar
Summary: The study by Jia et al. discusses the solubility measurement and correlation of 2,4,6,8,10,12-Hexanitrohexaazai sowurtzitane.2,4,6-trinitrotoluene (HNIW.TNT) co-crystal in nine pure solvents, focusing on co-crystal thermodynamic solubility, solid transformations, and solution stability.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Yanan Fu, Jin Li, Fang Feng, Lihui Yin
Summary: This study prepared and validated the chemical structures of cefotaxime dimer and trimer impurities obtained from the pharmaceutical industry. The impurities were separated and purified using RP-HPLC, and their structures were characterized using various spectroscopic techniques. The study confirmed the structure of the dimer and validated the polymerization sites and stereochemical configuration of the trimer.
FRONTIERS IN CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jianhua Han, Mingtao Zhang, Mingdi Liu, Yumin Liu, Jiayin Zhang, Kuo Wang, Weiwei Tang, Junbo Gong
Summary: The study investigated the relationship between solution chemistry and nucleation kinetics, revealing that pre-assemblies in solution can act as building units for crystal nucleation. The difficulty of nucleation appears to correlate with the effective interfacial energy, rather than attachment frequency.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Rungarune Saymung, Nisanart Traiphol, Rakchart Traiphol
Summary: In this study, a solution-mixing method was introduced to improve the synthesis of pure PDAs. By adding organic solvents at various concentrations into water, the self-assembly of amphiphilic DA monomers was significantly enhanced, leading to an increase in PDA yield. Additionally, the addition of organic solvents also resulted in an increase in particle size and induced morphological transition.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Review
Chemistry, Multidisciplinary
Jason S. Kahn, Oleg Gang
Summary: Nanoparticles with unique properties have a wide range of potential applications, and DNA nanotechnology allows for programmable assembly to control particle organization in 1D, 2D, and 3D structures, enabling the creation of designer nanomaterials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Wenbo Wu, Kui Chen, Xiunan Zhang, Ting Wang, Shuyu Li, Hongtu Zhao, Lina Zhou, Xin Huang, Hongxun Hao
Summary: This study discovered two polymorphs of a Schiff base compound that respond to multiple stimuli such as external force, acid, and heat. The different elastic deformability of these polymorphs can be attributed to differences in molecular conformation, structural packing, and intermolecular interactions. Additionally, both polymorphs exhibit reversible bending driven by volatile acid vapor and jumping triggered by heating.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Engineering, Chemical
Lan Fang, Zhenguo Gao, Zhenjie Gao, Wenfeng Huang, Xuxing Wan, Sohrab Rohani, Junbo Gong
Summary: This study presents the successful continuous preparation of pure metastable crystal Form III of APZ using ultrasound and slug-assisted tubular crystallizers, providing a solution to the difficulty of reproducibly obtaining metastable polymorphs in traditional batch crystallizers.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Huadong Liao, Wenfeng Huang, Ling Zhou, Zhenguo Gao, Qiuxiang Yin
Summary: This paper systematically studied the gelation phenomenon during the solution crystallization of perindopril erbumine (PDP) using spectroscopy and microscopy techniques. The results show that the PDP gel does not have the characteristic diffraction peak of the PDP crystal and the infrared spectrum has changed significantly compared with that of the crystal product. Based on the proposed gelation mechanism, three controlling strategies, namely, direct cooling crystallization, seeding-assisted crystallization, and oscillatory temperature crystallization, were evaluated for process optimization.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Applied
Xiunan Zhang, Jingkang Wang, Hongtu Zhao, Zhicheng Jiang, Kui Chen, Ting Wang, Xin Huang, Na Wang, Hongxun Hao
Summary: A symmetrical AIE single-benzene derivative MeDHQB with two aliphatic rings was designed, and two crystal forms were discovered by controlling crystallization conditions. The presence of aliphatic rings weakened the structural rigidity and promoted molecular vibration, increasing nonradiative transition in solution but inhibiting it in aggregate states. The different polymorphic physicochemical properties of MeDHQB-I and MeDHQB-II were investigated, along with the thermal transformation and potential applications of optical waveguide and invisible ink. This work provides an efficient strategy for constructing multifunctional AIE fluorophores based on a compact single-benzene system.
Article
Chemistry, Applied
Yanbo Liu, Shuo Wang, Jiahui Li, Shilin Guo, Hui Yan, Kangli Li, Li Tong, Ye Gao, Tao Li, Mingyang Chen, Zhenguo Gao, Junbo Gong
Summary: This study reveals the mechanism of oiling-out process for ethyl vanillin and develops a green and efficient spherical particle preparation technology through the construction of a phase diagram. The spherical ethyl vanillin product demonstrates excellent powder properties and exhibits lower aroma release rate and higher anti-caking function compared to irregularly shaped powder.
Article
Biochemistry & Molecular Biology
Jing Li, Yanan Zhou, Jingkang Wang, Na Wang, Jingtao Bi, Xin Li, Kui Chen, Hongxun Hao
Summary: In this paper, the influence of methyl glycine diacetic acid (MGDA) on the morphology and particle size of barium sulfate was investigated. The effects of additive, concentration, value of pH, and reaction temperature were studied in detail. The results showed that the concentration of reactant and temperature had minimal effect on the particle size, while the pH conditions and dosage of MGDA significantly affected the particle size distribution. The binding energy between MGDA and barium sulfate surface was calculated to elucidate the interacting mechanism, demonstrating that higher absolute binding energy leads to stronger growth inhibition on the crystal face.
Article
Engineering, Chemical
Shengzhe Jia, Liuyang Yu, Zhenguo Gao, Songgu Wu, Weiwei Tang, Jingkang Wang, Junbo Gong
Summary: This study combines theoretical models with experiments to analyze the impurity migration mechanism and obtain the key factors of separation optimization for the design of layer melt crystallization. The fractal slice model was used to explore pore structure formation and calculate the heat properties of the crystal layer. It was found that the fractal characteristics approached the features of Euclidean geometry with increasing porosity, and the thermal conductivity showed a linear decrease with the porosity. Three kinetic models were established based on the temperature difference to reveal quantitative correlations with the degree of supercooling (or superheating). The effects of the pore structure, kinetic behavior, and sweating intensity on the separation process are highlighted. Finally, this work analyzed the important roles of kinetic factors and impurity migration distribution, where a qualitative analysis revealed that the kinetic effect was important in impurity migration in the sweating process.
Article
Engineering, Chemical
Tiantian Tao, Beibei Li, Shengzhe Jia, Mingyang Chen, Zhenguo Gao, Junbo Gong
Summary: The utilisation of nucleation seeds, coupling nucleation and growth during crystallization and realistic continuum are currently relatively robust, reliable and scalable methods for protein crystallization optimization. Here, we design a segmented crystallization method, in which combines the characteristics of the Taylor vortex enhanced lysozyme nucleation stage. This strategy successfully expanded the lysozyme crystallization from the original 10 mL scale to 200 mL, realized the continuous process, and providing a promising strategy for the design and operation of continuous SFC to produce high value protein crystals in the future.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Xuxing Wan, Yifu Chen, Yuechao Cao, Zhenguo Gao, Songgu Wu, Junbo Gong
Summary: In this study, a reversible transformation of curcumin from keto-enol to β-diketone form was achieved by nonchemical methods. The obstacle to intramolecular proton transfer was found to be the intermolecular hydrogen bond at the keto-enol linkage. Energy fluctuations and vibrational shifts were observed during the proton transfer process with increasing temperature, and the maximum energy change occurred in the 200 μm crystal. This study presents an environmentally friendly and efficient method to regulate the physicochemical properties of solid organic materials.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Engineering, Chemical
Tuo Yao, Jian Liu, Xuxing Wan, Beibei Li, Sohrab Rohani, Zhenguo Gao, Junbo Gong
Summary: In this study, an in situ image monitoring methodology based on deep-learning model was developed to track the critical quality attributes of solution crystallization process. A 2D population balance model was also developed and validated using the results of the in situ image-based analysis. The accuracy of image analysis was discussed and the potential and challenges of in situ image analysis were proposed.
Article
Chemistry, Multidisciplinary
Beiqian Tian, Hongxun Hao, Xin Huang, Ting Wang, Jingkang Wang, Jinyue Yang, Xin Li, Wenlei Li, Lina Zhou, Na Wang
Summary: The choice of solvents is crucial for manipulating polymorphic outcomes in pharmaceutical crystallization. This study investigated the solvent effect on molecular conformational evolution and polymorph control of cimetidine. The results showed that the conformers selected in crystals significantly influenced crystal packing and polymorph stability. The interaction strength of cimetidine with solvents was found to affect desolvation difficulty, conformational rearrangement, and final polymorphic outcome.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Luguang Qi, Chang Li, Yunhe Bai, Yang Ye, Yuntian Xiao, Shutian Xuanyuan, Hongxun Hao, Chuang Xie
Summary: This study investigates the factors influencing the formation of cocrystal polymorphism and stoichiomorphism using picolinamide (PAM), nicotinamide (NAM), and isonicotinamide (INA) as co-formers with 4-chloro-3-sulfamoylbenzoic acid (CSBA). Six new cocrystal forms of CSBA were discovered, with PAM and NAM forming one cocrystal and INA forming up to four cocrystals. Molecular electrostatic potential analysis and crystal structure analysis revealed the limitations on cocrystal synthons diversity imposed by the functionality group position and lattice energy of the co-formers. The influence of solvents on cocrystals formation was also explored.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Acoustics
Huadong Liao, Wenfeng Huang, Ling Zhou, Lan Fang, Zhenguo Gao, Qiuxiang Yin
Summary: This study successfully prepared metastable CVD Form II crystals using a continuous tubular crystallizer, optimized the crystallization process by incorporating air bubble segments and employing ultrasonic irradiation strategies, and developed an ultrasound-assisted continuous slug-flow tubular crystallization method. The CVD crystals produced through this process have promising potential for producing metastable polymorphic pharmaceuticals while effectively addressing encrustation problems associated with continuous tubular crystallization.
ULTRASONICS SONOCHEMISTRY
(2023)
Article
Crystallography
Guangyan Li, Ting Wang, Xin Huang, Na Wang, Lina Zhou, Beiqian Tian, Ziwei Feng, Ailing Liu, Yaling Li, Hongxun Hao
Summary: A comprehensive crystal structure analysis of fluralaner was conducted to study the thermodynamic stability, phase transformation, and selective nucleation mechanisms of different polymorphs. Various analytical techniques were used to characterize Form I, Form II, and Form III, revealing structural similarity between Form I and Form III but unique molecular conformation and packing pattern in Form II. The thermodynamic stability order was found to be Form II > Form I > Form III and the selective nucleation of similar structures was affected by the addition of n-hexane.
Article
Engineering, Chemical
Beibei Li, Tuo Yao, Tiantian Tao, Dandan Han, Huaiyu Yang, Zhenguo Gao, Junbo Gong
Summary: Developing efficient peptide drug crystallization processes is crucial in downstream biomanufacturing to meet the rapid expansion of the peptide drug market. This study investigated the influence of Taylor vortex and impinging jet region on the crystallization of peptide vancomycin and found that the Couette-Taylor crystallizer obtained better crystalline products compared to mixing-tank crystallizer and static conditions. Thermodynamics and kinetics analysis in the CT crystallizer provided useful information for the crystallization of peptides and other biomacromolecule drugs in the future.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
