Article
Polymer Science
Masato Suzuki, Aya Watanabe, Raimu Kawai, Ryo Sato, Shin-ichi Matsuoka, Susumu Kawauchi
Summary: This study reports the ring-opening polymerization of thiolactide, where thiolactic acid undergoes cyclic condensation to form rac-thiolactide, which is then polymerized using a combination of thiol as initiator and DBU as catalyst. The polymerization process was found to be in equilibrium and displayed different structural characteristics and degradability compared to polylactide.
Article
Chemistry, Multidisciplinary
Yanchao Wang, Maosheng Li, Shixue Wang, Youhua Tao, Xianhong Wang
Summary: SCA monomers derived from amino acids are more reactive than thiolactones for ultrafast and selective ROP, resulting in controlled molecular weight, low dispersities, and retained stereoregularity of the synthesized polythioesters.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Polymer Science
Yihuan Liu, Fan Yin, Xin Hu, Ning Zhu, Kai Guo
Summary: The review summarized the methods of non-metal and metal catalytic unprotected mercapto-alcohol initiating ring-opening polymerization, emphasizing the advantages of using flow chemistry. The remaining challenges and opportunities for the development of thiol-polymer synthesis and applications were discussed.
Article
Chemistry, Multidisciplinary
Jiandong Li, Fusheng Liu, Yalei Liu, Yong Shen, Zhibo Li
Summary: This study presents a method for chemoselective controlled ring-opening polymerization of bio-renewable bifunctional alpha-methylene-delta-valerolactone (MVL) using strong base/urea binary catalysts. The obtained high molecular weight polyester exhibits good mechanical properties. The pristine monomer can be recovered through thermolysis, establishing a closed-loop life cycle.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Analytical
Jinge Li, Liying Zhao, Wenbin Wang, Yanju Liu, Huaixia Yang, Jinming Kong, Fuchun Si
Summary: A novel sandwich-type electrochemical aptasensor was constructed for CEA detection, showing a wide detection range and low detection limit. PFcGE-CNTs composites prepared by ring-opening polymerization served as a platform, significantly amplifying the electrochemical signal.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Polymer Science
Hien The Ho, Nam Hoai Nguyen, Marion Rollet, Trang N. T. Phan, Didier Gigmes
Summary: In this study, well-defined phosphonate-functionalized polycarbonate with low dispersity (D = 1.22) was synthesized using organocatalyzed ring-opening polymerization (ROP) of novel phosphonate-based cyclic monomers. Copolymerization was also performed to access different structures of phosphonate-containing polycarbonates (PC). Furthermore, phosphonate-functionalized PC was successfully synthesized using a combination of ROP and post-modification reaction.
Article
Chemistry, Multidisciplinary
Chunping Feng, Debao Mu, Xuehua Zhu, Yaorong Wang, Dan Yuan, Yingming Yao
Summary: This study investigated the reactivity of benzoxazine functionalized amine bridged bis(phenol)s with rare earth metal complexes and found that the substituents of the ligand and the rare earth metals had influences on the reaction outcomes. Additionally, these compounds showed high efficiency in catalyzing the ring-opening polymerization of rac-lactide.
CHINESE JOURNAL OF CHEMISTRY
(2022)
Article
Polymer Science
James McQuade, Mya I. Serrano, Frieder Jakle
Summary: The incorporation of main group elements into polymers enables the synthesis of functional materials with unique molecular structures and chemical properties. Ring-opening metathesis polymerization (ROMP) is a versatile method for generating new main group element-functionalized materials.
Article
Polymer Science
Ilya Nifant'ev, Andrey Shlyakhtin, Vladimir Bagrov, Evgeny Shaputkin, Alexander Tavtorkin, Pavel Ivchenko
Summary: The study found that the acyl chlorides derived from NHS and MI can efficiently terminate the living ring-opening polymerization of aliphatic polyesters, producing NHS- and MI-functionalized polymers with high yields. These polymers exhibit high reactivity towards amine- and thiol-containing model substrates in both organic and aqueous media.
Article
Polymer Science
Mojdeh Raeisi, Nicolay V. Tsarevsky
Summary: The radical ring-opening polymerization of a lipoate-based monomer, ethyl lipoate, exhibits reversibility, with limited conversions reached at high temperatures and dilutions. A monomer-polymer equilibrium exists with a ceiling temperature, and degradation occurs when the polymer is heated or exposed to reducing agents, leading to a decrease in molecular weight.
JOURNAL OF POLYMER SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Phong K. Quach, Jesse H. Hsu, Ivan Keresztes, Brett P. Fors, Tristan H. Lambert
Summary: The ring-opening metathesis polymerization of cyclopropenes using hydrazonium initiators was investigated. The initiators, formed by condensing 2,3-diazabicyclo[2.2.2]octane and an aldehyde, polymerize cyclopropene monomers through a sequence of [3+2] cycloaddition and cycloreversion reactions. The study showed that the monomer to initiator ratio had a positive correlation with the degree of polymerization.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Polymer Science
Ying Wang, Yanni Xia, Zhengjiang Hua, Chengjian Zhang, Xinghong Zhang
Summary: This work presents the copolymerization of propylene carbonate with carbonyl sulfide to prepare poly(thioether)s, which provides a new approach for the application of cyclic carbonates and the synthesis of thioether-based polymers.
Article
Polymer Science
Zhunxuan Li, Rui Chen, Ying Wang, Linlin Zhu, Wenyi Luo, Zhen Zhang, Nikos Hadjichristidis
Summary: An efficient synthetic methodology was developed for the modification of hyperbranched polyethyleneimines (PEI) using N-sulfonyl aziridines, resulting in materials with unique fluorescence properties and the ability to remove hazardous metals.
Article
Materials Science, Multidisciplinary
Georgy V. Timofeev, Maksim I. Hulnik, Irina V. Vasilenko, Francois Ganachaud, Guy Jacob, Sergei V. Kostjuk
Summary: This study investigates the cationic ring-opening polymerization of epichlorohydrin initiated by BF3•Et2O. The fast synthesis of pure poly(epichlorohydrin) diols with controlled molar mass and low dispersity was successfully achieved. An innovative approach involving the generation of an initiator in situ through the reaction of BF3•Et2O with water was developed, resulting in improved solubility of the oligomers in the reaction medium. Polymerization then proceeds exclusively through the activated monomer mechanism, allowing precise control over the polymer growth. Additionally, the reasons for coloration of the polymer during polymerization and/or storage were investigated.
ACS APPLIED POLYMER MATERIALS
(2023)
Review
Chemistry, Applied
Nina Guy, Olivia Giani, Sebastien Blanquer, Julien Pinaud, Jean-Jacques Robin
Summary: Photopolymerization is gaining interest in both industrial and academic fields due to its high reaction kinetics, low emissions of organic solvents, and reduced shrinking stress. This method has mainly been developed for radical polymerization of vinyl monomers and to a lesser extent for ring-opening polymerization (ROP). With the emergence of new initiating systems, the photopolymerization of various cyclic monomers has expanded beyond epoxides, which were the first monomers polymerized by cationic ring-opening polymerization (CROP).
PROGRESS IN ORGANIC COATINGS
(2021)
Article
Chemistry, Multidisciplinary
Shuzhan Wang, Tingting Shi, Zheng Fang, Chengkou Liu, Wei He, Ning Zhu, Yujing Hu, Xin Li, Kai Guo
Summary: A strategy integrating biotechnology and microtechnology was developed to enhance the optical purity of mandelic acids during kinetic resolution process. The study showed that the method achieved higher optical purity under optimal conditions and improved the kinetics properties.
JOURNAL OF FLOW CHEMISTRY
(2022)
Article
Electrochemistry
Jinze Du, Di Gao, Dong Zhang, Xinxin Lin, Chengkou Liu, Ning Zhu, Zhao Yang, Wei He, Zheng Fang, Kai Guo
Summary: This article presents a metal-catalyst-free and external-oxidant-free electrochemical oxidative radical C-H ortho-trifluoromethylation. The reaction specifically occurs at the ortho-position of anilides without directing groups. Various anilides show good tolerance and provide the desired products in moderate to good yields. Additionally, the gram-scale amplified product of benzanilide is obtained with a yield of 64%, demonstrating its potential for application.
Article
Chemistry, Applied
Gaochen Xu, Xuemei Wang, Chenglong Jia, Huan Yan, Sai Zhang, Qinghuan Wu, Ning Zhu, Zheng Fang, Jindian Duan, Kai Guo
Summary: A FeCl2-catalyzed homocoupling of alpha,beta-unsaturated ketoximes in batch and flow conditions is reported, demonstrating broad substrate scope and functional group tolerance for the synthesis of 2,4,6-trisubstituted pyrimidines. A gram-scale reaction was also performed to evaluate the applicability of this method.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Energy & Fuels
Shuangfei Zhao, Runze Hu, Yingying Nie, Lianzhu Sheng, Wei He, Ning Zhu, Yuguang Li, Dong Ji, Kai Guo
Summary: By reducing the scale and optimizing the hole structure, the mixing efficiency of millimeter scale mixers can be improved, accompanied by reduced energy consumption and pressure drop.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2022)
Article
Engineering, Environmental
Xin Hu, Hui Zhang, Deqi Wu, Dongmei Yin, Ning Zhu, Kai Guo, Chunhua Lu
Summary: In this study, covalently bonded cross-linked inorganic-polymer nanocomposites were designed and prepared. By improving the dispersity of nanofillers in the matrix and forming a network structure, increased dielectric constant, suppressed dielectric loss, and elevated breakdown strength were achieved. The optimal sample exhibited an ultrahigh energy density, providing a potential alternative for the design of high-performance dielectric materials.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Shuangfei Zhao, Yingying Nie, Yimin Wei, Pengjie Yu, Wei He, Ning Zhu, Yuguang Li, Dong Ji, Kai Guo
Summary: The uniformity of mixing plays a crucial role in liquid-liquid two-phase chemical processes. This study proposes a specific surface area ratio to quantify the uniformity and designs a millimeter-scale mixer with a special baffle structure. By optimizing the baffle parameters, the specific surface area ratio and treatment capacity of the mixer are significantly improved.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2023)
Article
Engineering, Chemical
Yingying Nie, Shuangfei Zhao, Pengjie Yu, Yimin Wei, Runze Hu, Wei He, Ning Zhu, Yuguang Li, Dong Ji, Kai Guo
Summary: Due to scale effects, directly enlarging the size of the micromixer is an easy way to reduce the efficiency of mass and heat transfer in the continuous flow chemical process. A scale-up microfluidic mixer with a porous structure was designed to improve the mass and heat transfer efficiency. The effects of rotation angle, porosity, and baffle spacing were studied to optimize the mixer structure. Compared with the 1 mm mixer without structure, the scale-up mixer has a higher mixing efficiency and an 80% reduction in energy consumption at Re >= 700. The heat transfer efficiency of the mixer during fluid heating was evaluated using a Nusselt number. The results show that the porous baffle promotes the generation of secondary flow and enhances the heat transfer effect, making its Nu increase by three times compared with the unstructured mixer. The scale-up microfluidic mixer with a porous structure effectively improves the mass and heat transfer performance. This study can provide a reference for the design or development of a novel scale-up mixer.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Applied
Huan Liang, Dongmei Yin, Lina Shi, Yihuan Liu, Xin Hu, Ning Zhu, Kai Guo
Summary: Functionalized cellulose has gained research interests for its potential in highly functional and environmentally friendly materials. Surface modification of cellulose via photo-induced click reaction integrates the advantages of photochemistry, click reaction, and surface modification. In this review, recent progress in cellulose surface modification using photo-induced click reactions is summarized. Different click reactions, such as thiol-X and cycloaddition reactions, are compared and their applications in cellulose modification are discussed. The challenges and outlook of photo-induced click reaction in cellulose surface modification are also addressed.
CARBOHYDRATE POLYMERS
(2023)
Article
Engineering, Environmental
Jiming Yang, Shulin Wang, Fudong Bai, Xingmei Lu, Wei He, Zheng Fang, Ning Zhu, Kai Guo
Summary: Pretreatment of lignocellulose with a binary system consisting of 1-n-butyl-3-methylimidazole chloride (BMIMCl) and arginine (Arg) at temperatures higher than the glass transition temperature of lignin (Tg-lignin) can effectively reduce cellulose crystallinity and lignin content, improving enzymatic hydrolysis efficiency and reducing enzyme dosage.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Pengjie Yu, Shuangfei Zhao, Yingying Nie, Yimin Wei, Runze Hu, Wei He, Ning Zhu, Yuguang Li, Dong Ji, Kai Guo
Summary: This study designed and optimized a novel mixer with triangular-notched rectangular baffles structure, and characterized its performance by combining heat and mass transfer computational fluid dynamics (CFD) method. The results showed that the optimized mixer had a significant increase in mixing efficiency and heat transfer compared to the mixer without baffles structure. Furthermore, the scale-up strategy for continuous flow chemical process enhancement was provided by enlarging the size of the mixer with triangular-notched rectangular baffles structures.
NUMERICAL HEAT TRANSFER PART A-APPLICATIONS
(2023)
Article
Polymer Science
Yihuan Liu, Guoqing Zuo, Han Gao, Zhao Wu, Wei Huang, Canliang Ma, Jie Yin, Xin Hu, Ning Zhu, Kai Guo
Summary: Poly(epsilon-caprolactone-co-epsilon-caprolactam) was successfully synthesized through ring-opening copolymerization and its thermal and mechanical properties were investigated. The results showed that the thermal properties of the polymer varied with the ester content, and the mechanical properties decreased with increasing epsilon-caprolactone incorporation.
POLYMER INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Wei Lu, Ruijia Wang, Muqing Si, Yi Zhang, Shuangshuang Wu, Ning Zhu, Wenqin Wang, Tao Chen
Summary: In this study, robust fluorescent polymeric hydrogel actuators with spatially anisotropic structures were constructed using an interfacial supramolecular assembly (ISA) approach, enabling control over synergistic shape/color-changing behaviors. The proposed ISA approach is universal and expected to open new avenues for developing bioinspired intelligent soft actuators/robotics with selective spatial shape/color-changing behaviors.
Article
Chemistry, Organic
Man Yang, Jiawei Hua, Hao Wang, Tao Ma, Chengkou Liu, Wei He, Ning Zhu, Yujing Hu, Zheng Fang, Kai Guo
Summary: A metal-and oxidant-free pathway for the synthesis of azaspiro[4.5]decane-6,9-dione via photomediated iodinated spirocyclization has been developed. The reaction proceeds through a radical addition/ipso-cyclization/dearomatization process at room temperature, leading to the formation of C-C and C-I bonds. This green and convenient approach can be applied to the synthesis of various iodinated spirocyclization products in moderate to good yields.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Review
Polymer Science
Yong-xin Tao, Lei-lei Chen, Yi-huan Liu, Xin Hu, Ning Zhu, Kai Guo
Summary: This review focuses on the self-assembly of silicon-containing block copolymers for sub 5 nm nanolithography. These block copolymers not only exhibit high etch contrast property but are also considered promising materials for nanolithography. The review provides a detailed discussion on the self-assembly of poly(dimethylsioxane)-based, poly(silicon containing styrene)-based, and poly(hedraloligomeric silsesquioxane)-based block copolymers, covering synthesis, characterizations, assembly conditions, and feature sizes. The challenges and opportunities in this field are also proposed.
ACTA POLYMERICA SINICA
(2022)
Review
Chemistry, Multidisciplinary
Huiyue Wang, Xin Hu, Yujing Hu, Ning Zhu, Kai Guo
Summary: This review highlights the advantages and challenges of enzyme-catalyzed ATRP in the large-scale preparation of functionalized polymers/copolymers, and summarizes the application of various enzyme/enzyme mimics catalysis systems.
PROGRESS IN CHEMISTRY
(2022)
Article
Engineering, Chemical
Qing Han, Mengqing Shi, Linkai Han, Di Liu, Mingwei Tong, Yuxin Xie, Zhonghua Xiang
Summary: Developing highly efficient bifunctional oxygen electrocatalysts is crucial for zinc-air flow batteries. Metal-organic frameworks (MOFs) and covalent organic polymers (COPs) have emerged as promising alternatives due to their designable and controllable atomic-level structures. However, their catalytic performances are limited by conductivity and catalytic activity. In this study, nanosheet FeNi-MOF and iron phthalocyanine rich COP hybrid materials are assembled through the pi-pi stacking effect to create highly efficient bifunctional electrocatalysts. The resulting catalyst exhibits superior catalytic performance and stability, making it a promising candidate for zinc-air flow batteries.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Mohammed Al-Sharabi, Daniel Markl, Vincenzino Vivacqua, Prince Bawuah, Natalie Maclean, Andrew P. E. York, Axel Zeitler
Summary: This study used terahertz pulsed imaging to investigate the transport process of different solvents into ceramic catalytic materials. The results showed that the heating rate of the samples influenced the water transport rate, while the viscosity of 1-octanol slowed down its transport.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chukwunonso Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
Summary: This study aimed to enhance understanding of settling dynamics in viscoelastic fluids by developing a semi-empirical correlation and a dimensionless ratio, which accurately described the characteristics of settling suspensions.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Antti I. Koponen, Janika Viitala, Atsushi Tanaka, Baranivignesh Prakash, Olli-Ville Laukkanen, Ari Jasberg
Summary: This study focuses on the development of foam application chemicals for the paper and board industry. The research explores the rheology of the polyvinyl alcohol foam used in the process. Measurements were conducted to determine the foam viscosity and slip flow. The results suggest that slip flow contributes significantly to the total flow rate, and the obtained viscosity and slip models provide a solid foundation for industrial processes.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Dalei Sun, Jinghui Cai, Yating Yang, Zhiwu Liang
Summary: In this study, Fe-doped alpha-Bi2O3 catalysts with different Fe/Bi molar ratios were synthesized and utilized in the carbonylation of isobutyl amine with CO2. The results showed that Fe doping significantly enhanced the catalytic abilities of alpha-Bi2O3.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Yuan Tian, Xinxin Wang, Yanrong Liu, Wenping Hu
Summary: This paper predicts the solubility of nitrogen gas in ionic liquids (ILs) using two quantitative structure-property relationship (QSPR) models. By combining machine learning methods and ionic fragments contribution method, the accuracy and reliability of the prediction models are improved.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Liwang Wang, Wei Liu, Pan Yang, Yulong Chang, Xiaoxu Duan, Lingyu Xiao, Yaoming Hu, Jiwei Wu, Liang Ma, Hualin Wang
Summary: This study investigates the effective phase interfacial area (ae) of hydro-jet cyclones at different injection angles. The results show that a 45 degrees upward incidence angle yields the most favorable flow field characteristics for efficient mass transfer. The significant enhancement in ae of the hydro-jet cyclones offers the advantage of reducing equipment volume and cost savings.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chuanjun Wu, Jiangzhi Chen, Jiyue Sun, I-Ming Chou, Shenghua Mei, Juezhi Lin, Lei Jiang
Summary: In this study, the solubility of H2S hydrate in water was measured using Raman spectroscopy. The results showed that the solubility increases with temperature under certain equilibrium conditions, and the solubility also depends on pressure and temperature under different equilibrium conditions. A thermodynamic model based on the van der Waals-Platteeuw theory was developed to predict the solubility, demonstrating its accuracy.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Lorenzo Brivio, Serena Meini, Mattia Sponchioni, Davide Moscatelli
Summary: This study investigates the influence of three main parameters and proposes a kinetic model to predict the optimal operating conditions for high yield of dimethyl terephthalate (DMT) in the chemical recycling process of polyethylene terephthalate (PET).
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Hongju Lin, Fanhui Liao, Yanchang Chu, Mingyu Xie, Lun Pan, Yuanyuan Wang, Lijian Leng, Donghai Xu, Le Yang, Gangfeng Ouyang
Summary: A honeycomb NiCo/C-Na catalyst with a micro-meso-macroporous structure has been fabricated and shown to have significantly higher catalytic activity for the decarboxylation of fatty acids. It also proves to be efficient in upgrading sludge HTL bio-crude, resulting in a biofuel with decreased viscosity and increased density.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Xiaoxian Li, Rui Li, Min Lin, Mingde Yang, Yulong Wu
Summary: A series of coated non-noble metal porous carbon catalysts were synthesized and applied to the aqueous-phase deoxygenation of algal bio-oil. One of the catalysts showed excellent deoxygenation selectivity and catalytic activity at 250 degrees C. The catalyst exhibited good hydrothermal stability and the reaction mechanism was proposed based on product analysis and active site analysis.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
M. V. Chudakova, M. V. Popov, P. A. Korovchenko, E. O. Pentsak, A. R. Latypova, P. B. Kurmashov, A. A. Pimenov, E. A. Tsilimbaeva, I. S. Levin, A. G. Bannov, A. V. Kleymenov
Summary: A series of catalysts with different potassium contents were prepared using solution combustion synthesis and characterized using various techniques. The results showed that the potassium content affected the phase composition and texture of the catalysts. The addition of a small amount of potassium resulted in a change in particle size distribution, leading to higher hydrogen yield. The Ni-1%K2O/Al2O3 catalyst exhibited the highest hydrogen yield at temperatures of 675 and 750 degrees Celsius.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Aliakbar Roosta, Nima Rezaei
Summary: In this study, we modified the electrolyte cubic plus association equation of state (e-CPA EoS) and integrated it with two electrical conductivity models to estimate the electrical conductivity of 11 monovalent electrolyte solutions in water. The modified e-CPA model demonstrated better performance and the hybridization with electrical conductivity models resulted in two predictive models for estimating the electrical conduction of dilute and concentrated electrolyte solutions. These predictive models showed relative average percentage deviations (AARD) of 11.15% and 13.87% over wide ranges of temperature and electrolyte concentration.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Haoren Niu, Jianzheng Wang, Qingzhu Jia, Qiang Wang, Jin Zhao, Fangyou Yan
Summary: A study developed two quantitative structure-property relationship models for the complexation performance of alpha- and beta-cyclodextrins and validated their stability and predictive ability through internal and external validation. The models showed robustness and satisfactory performance, as demonstrated by the experimental results and model validations. These models can effectively predict the binding constants between cyclodextrins and various types of molecules, providing valuable tools for cyclodextrin design.
CHEMICAL ENGINEERING SCIENCE
(2024)