Article
Engineering, Electrical & Electronic
Xuan Wang, Shuming Zhang
Summary: Geomagnetic disturbances have significant impacts on the normal operation of power systems, oil and gas pipelines, and railway systems. This study provides a systematic calculation approach for geomagnetically induced current (GIC) in ground-based systems and proposes a versatile modeling method for GIC. Different Earth models are used to determine the geoelectric field, and the GIC is calculated based on a combination of geophysical and engineering steps. The systems are categorized into lumped-parameter and distributed-parameter systems based on their characteristics, and specific cases are considered to demonstrate the effectiveness of the model.
ELECTRIC POWER SYSTEMS RESEARCH
(2023)
Article
Energy & Fuels
Xuejing Zheng, Boxiao Xu, Yaran Wang, Shijun You, Huan Zhang, Shen Wei, Na Wang
Summary: Two hydraulic transient models (DPM and LPM) and efficient numerical algorithms were established and applied to a large-scale DH network for simulating and analyzing network hydraulic transients caused by valve and pump operations. The DPM can capture high-frequency hydraulic transients subtly, while the LPM can only describe average hydraulic fluctuations. The computation time of LPM is shorter due to neglecting pressure waves and fluid compressibility.
SUSTAINABLE ENERGY GRIDS & NETWORKS
(2021)
Article
Health Care Sciences & Services
Joseph Rinehart, Sean Coeckelenbergh, Ishita Srivastava, Maxime Cannesson, Alexandre Joosten
Summary: Computational modeling has become routine in the development of medical devices. The FDA has published a manuscript on the development and validation of a computational model for blood volume, cardiac stroke volume, and blood pressure. This study expanded on the model to include the pharmacologic effect of sodium nitroprusside and calibrated it against experimental animal model data.
JOURNAL OF PERSONALIZED MEDICINE
(2023)
Article
Engineering, Civil
Kirsten E. Faulkner, Bryant C. Jurgens, Stefan A. Voss, Danielle I. Dupuy, Zeno F. Levy
Summary: This study investigates the penetration depth of post-1950s recharge in aquifers to identify groundwater vulnerable to human contamination. The study uses a four-dimensional approach to compute, interpolate, and project the depth values across time in the Central Valley aquifer system in California. The results show that the penetration depth is expected to increase in the future, which may lead to an increase in anthropogenic contaminants.
JOURNAL OF HYDROLOGY
(2023)
Review
Pharmacology & Pharmacy
Jasia King, Stefan Giselbrecht, Roman Truckenmuller, Aurelie Carlier
Summary: Epithelial membrane transporter kinetics play an essential role in solute transport, with recent mechanistic models focusing on transporter numbers to improve pharmacokinetic predictions. Collaborative efforts among researchers in modeling, material science, and biology are crucial to advance the field.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Engineering, Multidisciplinary
Hui Wang, Ronggang Yang, Jiawei Xiang
Summary: This study uses a lumped parameter model in the numerical simulation of gears to generate enough training samples, aiming to achieve fault diagnosis. By constructing and updating the lumped parameter model, and generating a sample matrix using simulated and measured signals, artificial intelligence models are used to classify unknown fault samples. The results show that using lumped parameter models to generate sample data is a feasible approach for fault classification.
Article
Green & Sustainable Science & Technology
Shanshan Deng, Feng Li, Hao Luo, Tianqi Yang, Feng Ye, Richard Chahine, Jinsheng Xiao
Summary: A mathematical model for a compressed hydrogen storage tank is established based on the mass conservation equation, the energy conservation equation and the real gas equation of state. Using the Matlab/Simulink platform, a dual-zone lumped parameter model is established to simulate the hydrogen gas and tank wall regions. The simulated results show that the dual-zone lumped parameter model can well predict the temperature, pressure and state of charge for Type IV tanks with volumes of 249 L and 117 L during refueling.
Article
Engineering, Biomedical
Nikolai L. Bjordalsbakke, Jacob Sturdy, Emma M. L. Ingestrom, Leif R. Hellevik
Summary: This study optimized personalized parameters of the cardiovascular system using physics-based models, and investigated the impact of using different pressure waveforms on the results. The findings showed that the compliance values obtained from the finger arterial pressure waveform were higher than those from the carotid waveform. The study also demonstrated that it is possible to differentiate individuals and measurement days based on parameter values using the presented optimization method.
BIOMEDICAL ENGINEERING ONLINE
(2023)
Article
Mathematics, Applied
Seongyeol Goo, Junghwan Kook
Summary: A modeling method combining finite element and lumped parameter (FE-LP) model is proposed for accurately simulating loudspeaker systems with flexible enclosures. The mechanical components of the driver unit are represented by lumped parameters, while the cone assembly and enclosure are modeled using the finite element method. The coupling between the lumped parameters and finite elements is achieved through the manipulation of the system matrix.
FINITE ELEMENTS IN ANALYSIS AND DESIGN
(2023)
Article
Geosciences, Multidisciplinary
Ales Balvin, Milan Hokr, Klara Steklova, Petr Ralek
Summary: This study focuses on numerical modelling of hydraulic and transport phenomena in granite of the Bohemian massif in Bedrichov, Czechia. Different models were compared for transport simulations of natural tracers represented by stable isotopes, and the impact of different processing methods for recharge data was evaluated.
HYDROGEOLOGY JOURNAL
(2021)
Article
Biology
Nikolai L. Bjordalsbakke, Jacob T. Sturdy, David R. Hose, Leif R. Hellevik
Summary: This study investigated the feasibility of personalizing a model of systemic hemodynamics by estimating model parameters, including exploring structural identifiability and parameter sensitivity analysis. Results showed that in the noiseless case, all parameters could be calibrated to less than 10-3% error using time series data, while errors using clinical index data could reach over 100%.
MATHEMATICAL BIOSCIENCES
(2022)
Article
Engineering, Civil
V Sivelle, H. Jourde, D. Bittner, B. Richieri, D. Labat, A. Hartmann, G. Chiogna
Summary: This study examines the implication of considering a semi-distributed recharge in a lumped parameter model through multiple hydrological model calibrations and focuses on the uncertainty caused by the model structure. The results suggest that considering a semi-distributed recharge can improve the performance of hydrological models in forest-dominated karst areas, but it may not be applicable to all karst environments.
JOURNAL OF HYDROLOGY
(2022)
Article
Engineering, Electrical & Electronic
Tzu-huan Peng, Jin H. Huang
Summary: This study developed a lumped-parameter model based on the boundary element method for simulation and analysis of directional microphones. By comparing with experimental data, the accuracy and applicability of the model were validated, providing in-depth research on the acoustic characteristics of microphones.
SENSORS AND ACTUATORS A-PHYSICAL
(2021)
Review
Engineering, Multidisciplinary
Pingting Ying, Hesheng Tang, Lei Chen, Yan Ren, Anil Kumar
Summary: The dynamic vibration characteristics of a multibody system in an axial piston pump are studied using a lumped parameter model. The model is utilized to predict the vibration responses of the rotor assembly and the separator assembly based on the Runge-Kutta method. The developed model is verified by comparing theoretical frequencies and experimental results, and it is used to investigate the effects of operating circumstances and stiffness and damping coefficients on the vibration response and phase trajectory diagram.
ALEXANDRIA ENGINEERING JOURNAL
(2023)
Article
Engineering, Mechanical
Byoung-Gyu Song, Namcheol Kang
Summary: This study aims to determine the unknown parameters of mechanical models using deep neural networks (DNNs) and frequency-response functions (FRFs). Multiple DNNs were used to estimate the unknown parameters, and Bayesian optimization was employed to optimize the network performance. The proposed method successfully estimated unknown parameters under severe noise and initial conditions.
JOURNAL OF VIBRATION ENGINEERING & TECHNOLOGIES
(2023)
Article
Agricultural Engineering
Rebecca Nordio, Francisco Javier Delgado, Ana Sanchez-Zurano, Jose Gonzalez Hernandez, Enrique Rodriguez-Miranda, Jose Luis Guzman, Tomas Lafarga, Gabriel Acien
Summary: The present study aimed to evaluate the use of microalga Scenedesmus almeriensis for treating untreated urban wastewater. Two 12 m(3) raceway reactors, one supplemented with wastewater and the other with chemical fertilizer, were operated outdoors in a semi-continuous mode for eight months. The results showed that S. almeriensis could be produced in wastewater without affecting the photosynthetic apparatus, with an average productivity of 13 g center dot m(-2)center dot day(-1) in both systems. Moreover, the nutrient content of the wastewater, including nitrogen, phosphorous, and chemical oxygen demand, was reduced to meet European limitations, with average removal rates of 2.2, 0.2, and 3.0 g center dot m(-2)center dot day(-1) respectively. The raceway reactors demonstrated high potential for microalgal production and efficient biotreatment, proving to be robust and reliable. Additionally, an accurate model was developed to evaluate the effect of environmental conditions on biomass productivity in the clean system (R-2 = 0.9, p = 0.0002).
BIORESOURCE TECHNOLOGY
(2023)
Article
Environmental Sciences
Joseph Santhi Pechsiri, Jean-Baptiste E. Thomas, Naoufel El Bahraoui, Francisco Gabriel Acien Fernandez, Jamal Chaouki, Saad Chidami, Rodrigo Rivera Tinoco, Jose Pena Martin, Cintia Gomez, Michel Combe, Fredrik Grondahl
Summary: This study compares the environmental performance of conventional reactors and a proposed internally illuminated novel closed reactor design. The results show that the novel photobioreactor can significantly reduce impacts such as eutrophication and climate change when leveraging renewable energy sources and the photosynthesis process in urban-industrial symbiosis scenarios.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Thermodynamics
Igor M. L. Pataro, Juan D. Gil, Jose L. Guzman, Manuel Berenguel, Joao M. Lemos
Summary: This work proposes a hierarchical framework for controlling a solar thermal facility to provide operating conditions for an absorption chiller machine. A case study of the CIESOL thermal plant is conducted with verified subsystems and valves in a simulation environment. Three different models are used for absorption chiller modeling, and a hybrid nonlinear predictive controller is formulated for hierarchical control. A lower layer with PI controllers is designed to handle valve nonlinear dynamics and disturbance rejection. Results show that the hierarchical structure extends the operating time of the solar-powered absorption chiller by approximately 115 minutes compared to conventional operation, with reduced fossil fuel usage.
Article
Biotechnology & Applied Microbiology
Elvira Navarro-Lopez, Juan Jose Gallardo-Rodriguez, Maria del Carmen Ceron-Garcia, Inmaculada Gallego-Lopez, Francisco Gabriel Acien-Fernandez, Emilio Molina-Grima
Summary: The effect of different parameters on the extraction of biostimulant molecules from microalgal biomass was investigated, and the optimal conditions for using organic green solvents (acetone or ethanol) were determined for maximum germination index.
JOURNAL OF APPLIED PHYCOLOGY
(2023)
Article
Agriculture, Dairy & Animal Science
Jorge Garcia-Marquez, Jesus Vizcaino Antonio, Andre Barany, Alba Galafat, Gabriel Acien, Felix L. Figueroa, Javier Alarcon Francisco, Miguel Mancera Juan, Juan Antonio Martos-Sitcha, Salvador Arijo, Roberto Teofilo Abdala-Diaz
Summary: The study found that the combined administration of Chlorella fusca and ethanol-inactivated Vibrio proteolyticus significantly improved the growth performance and feed utilization of the thick-lipped grey mullet, while enhancing the lipid quality and n-3 polyunsaturated fatty acids. This has potential benefits for human nutrition.
Article
Microbiology
Jorge Garcia-Marquez, Rosa Maria Rico, Francisco Gabriel Acien, Juan Miguel Mancera, Felix L. Figueroa, Antonio Jesus Vizcaino, Francisco Javier Alarcon, Miguel Angel Morinigo, Roberto Teofilo Abdala-Diaz
Summary: This study investigates the effects of a blend of microalgae on Sparus aurata juveniles. The results show that the addition of microalgae tends to decrease body lipids and affects fatty acid profile. In particular, the diet containing 25% of the microalgae blend increases DHA levels. Additionally, this diet promotes appropriate microbial diversity and influences fatty acid composition and lipid metabolism in fish.
Article
Mathematics
Pablo Otalora, Jose Luis Guzman, Manuel Berenguel, Francisco Gabriel Acien
Summary: The industrial production of microalgae is a sustainable and interesting process, especially in terms of its applications in wastewater treatment. Neural network models have been developed to optimize the process and characterize the pH dynamics in different raceway reactors. These models are able to predict pH profiles using available measurable process data and demonstrate the potential of artificial neural networks in modeling continuous dynamic systems in the industry.
Article
Automation & Control Systems
Angeles Hoyo, Tore Hagglund, Jose Luis Guzman, Jose Carlos Moreno
Summary: This paper addresses the issue of control signal saturation caused by feedforward control from measurable load disturbances. An efficient feedforward compensator can generate significant peaks in the control signal during fast changes in the load disturbance, potentially causing the signal to reach saturation. The authors propose reducing the gain of the feedforward compensator during saturation periods to overcome this problem, presenting a method to calculate this gain reduction. Simulation examples demonstrate the significant performance improvement achieved by implementing this idea in cases of saturation problems. The proposed algorithm is also tested on a lab-scale temperature control system to demonstrate its practical capabilities.
CONTROL ENGINEERING PRACTICE
(2023)
Article
Automation & Control Systems
Igor M. L. Pataro, Rita Cunha, Juan D. Gil, Jose L. Guzman, Manuel Berenguel, Joao M. Lemos
Summary: This study introduces an adaptive optimal model-free controller for solar collector fields (SCFs) that overcomes the challenges of using high-complex models. The proposed controller is based on the Reinforcement Q-Learning algorithm and achieves optimal performance using only plant measurements. It outperforms model-based controllers by handling nonlinearities, time-varying model parameters, and computational costs associated with nonlinear models. Simulations using actual data from a thermal plant demonstrate the effectiveness of the model-free controller, as the Q-Learning algorithm converges to the optimal gains of the Linear Quadratic Tracking (LQT) controller.
ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE
(2023)
Article
Automation & Control Systems
Igor M. L. Pataro, Juan D. Gil, Marcus V. Americano da Costa, Lidia Roca, Jose L. Guzman, Manuel Berenguel
Summary: Improving temperature reference tracking is crucial for enhancing the performance of solar thermal plants. This study proposes two control strategies, lead-lag and nonlinear reference feedforwards, to achieve low rise time and no overshoot in temperature reference tracking. Simulation experiments and real-world testing in a solar plant validate the effectiveness of these strategies under different operating conditions.
IEEE TRANSACTIONS ON CONTROL SYSTEMS TECHNOLOGY
(2023)
Article
Agriculture, Dairy & Animal Science
Jorge Garcia-Marquez, Daniel Alvarez-Torres, Isabel M. Cerezo, Marta Dominguez-Maqueda, Felix L. Figueroa, Francisco Javier Alarcon, Gabriel Acien, Eduardo Martinez-Manzanares, Roberto T. Abdala-Diaz, Julia Bejar, Salvador Arijo
Summary: This study assessed the impact of dietary green microalgae and ethanol-inactivated Vibrio proteolyticus on thick-lipped grey mullet juvenile fish. The results showed that the diet influenced the composition of intestinal microbiota without affecting its functionality. Additionally, the diet effectively regulated the transcription of stress and immune-related genes, enhancing the fish's resistance against stress and infections.
Article
Automation & Control Systems
Igor M. L. Pataro, Juan D. Gil, Marcus V. Americano da Costa, Lidia Roca, Jose L. Guzman, Manuel Berenguel
Summary: This study proposes a stochastic model predictive control (MPC) based on a chance-constraint formulation for controlling a real solar thermal plant. The controller, named CC practical nonlinear MPC (CC-PNMPC), is implemented in the AQUASOL-II facility to validate and demonstrate the advantages of the proposed control approach. The results show that the stochastic strategy can account for disturbance uncertainties and improve the control system's performance.
IEEE TRANSACTIONS ON CONTROL SYSTEMS TECHNOLOGY
(2023)
Meeting Abstract
Zoology
Emma Timmins-Schiffman, Jennifer Telish, Chris Monson, Chelsea Field, Jose Guzman, Kristy Forsgren, Graham Young
INTEGRATIVE AND COMPARATIVE BIOLOGY
(2023)
Review
Automation & Control Systems
Igor M. L. Pataro, Juan D. Gil, Jose L. Guzman, Manuel Berenguel, Inmaculada Canadas
Summary: This paper provides a comprehensive study of four predictive control strategies for solar furnaces and evaluates them using real data and simulation. The practical NMPC strategy proves to be the most promising, striking a balance between control performance and computational cost. It is successfully implemented in a solar furnace facility and demonstrates effective control and performance.
JOURNAL OF PROCESS CONTROL
(2023)
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)
