Article
Biochemistry & Molecular Biology
Antonio Zuorro
Summary: A new strategy based on theoretical molecular descriptors was proposed to predict water activity in aqueous solutions of sugars and polyols. The study investigated two descriptors related to the constitutional and connectivity properties of solutes and developed a new theoretical descriptor named the global information index (G). By using this index, water activity curves in binary systems were successfully reconstructed, supporting the effectiveness of the proposed strategy in characterizing molecular features that affect water activity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Sheik Tanveer, Chau-Chyun Chen
Summary: A comprehensive thermodynamic model is presented to investigate the swelling and salt partitioning of PNIPAM hydrogels in aqueous NaCl solutions. The results show the root cause for hydrogel deswelling in high concentration NaCl solution and the dominant factor for salt partitioning.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Jielin Luo, Zeming Wang, Hao Wu, Shaozhi Zhang
Summary: This paper investigates the vapor pressure of the electrolyte in a thermally regenerative ammonia-based battery (TRAB) and applies the common e-NRTL model to describe the vapor-liquid equilibrium property of the solution. The results show that the regeneration temperature of TRAB is primarily influenced by the regeneration pressure and Cu2+ concentration, while NH3 concentration has an insensitive effect. These findings provide a reliable reference for predicting and simulating the working process of TRAB.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Engineering, Environmental
Shaukat Ali Mazari, Tae-Ha Kang, Sijan Devkota, Jin-Young Cha, Beom-Ju Shin, Ji-Hun Mun, Kyung-Min Kim, Ung Lee, Jong-Ho Moon
Summary: This study presents experimental data on CO2 solubility in aqueous aminoethylethanolamine (AEEA) and diethanolamine (DEA) at different amine blending ratios. A thermodynamic model based on electrolyte nonrandom two liquid (electrolyte NRTL) activity coefficient model is used to predict the behavior of the blended amine system. The model results are in good agreement with literature and experimental data, and provide insights into the CO2 loading, activity coefficients, and mole fractions of different species in the system.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Multidisciplinary Sciences
Joseph F. Wild, Heng Chen, Keyue Liang, Jiayu Liu, Stephen E. Cox, Alex N. Halliday, Yuan Yang
Summary: A general method of centrifugal separation of dissolved chemical compounds for isotope separation is introduced, which can be applied to almost all elements and achieves large separation factors. The method has been demonstrated in various isotopic systems with single-stage selectivities beyond the capabilities of conventional methods. Equations have been derived to model the process, and the results agree with experimental data. The scalability of the technique has been demonstrated through a three-stage enrichment and can be further improved by countercurrent centrifugation. Optimal centrifuge conditions and solutions can achieve high-throughput and highly efficient isotope separation.
Article
Chemistry, Multidisciplinary
Xiaoxian Yang, Ehsan Sadeghi Pouya, Gongkui Xiao, Markus Richter, Eric F. May
Summary: In this study, a high-pressure gravimetric binary gas adsorption equilibrium measurement system was developed based on simultaneous gas density and mixture adsorption measurements. The system does not require any sampling and can accurately measure the adsorption equilibria of gas mixtures, especially for components with similar adsorption capacities. However, for mixtures with significant differences in adsorption capacities, the measurement uncertainty is larger.
Article
Chemistry, Physical
Fadhila Rabhi, Thomas Di Pietro, Fabrice Mutelet, Hocine Sifaoui
Summary: This study focused on the extraction of three organic compounds from aqueous solutions using an ionic liquid. The liquid-liquid equilibrium was measured and predicted, and the experimental data showed that the ionic liquid is suitable for the extraction of organic compounds. This research has significant implications for the application of ionic liquids in organic chemistry.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Stefano Brandani
Summary: The Rigid Adsorbent Lattice Fluid model has been shown to meet thermodynamic consistency requirements in the case of no structural changes in the adsorbent, by introducing a correction factor to the reduced density function. A method to calculate predicted adsorbed mixture activity coefficients has been presented, allowing the production of excess Gibbs energy plots at a constant reduced grand potential. The model's predicted nonideality is consistent with Myers' Non-Ideal Adsorbed Solution Theory, providing an alternative approach to multicomponent adsorption prediction based solely on pure component data.
Article
Engineering, Chemical
Alexander Tarasenko
Summary: This study investigates the diffusion process in a binary mixture of species coadsorbed on a multisite square lattice. The diffusion equations are derived to describe the evolution of small hydrodynamic fluctuations of the molecule coverages. The Fickian diffusivities and Onsager phenomenological coefficients are expressed in analytical expressions, revealing the diffusion behavior in this complex system.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Physical
Joel A. K. L. Picard, Thomas Speck
Summary: Conventional gas-liquid phase transitions exhibit a coexistence line with a monotonic and positive slope, indicating that cooling leads to condensation. However, we investigate the opposite phenomenon of condensation of adsorbed organic molecules into dense domains upon heating. Using a simple lattice model, we study this process through Monte Carlo simulations, mean-field theory, and the analytical solution of the Ising model in two dimensions. Our findings are applicable to molecules with distinct conformations and different entropies or heat capacities.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
A. Mohamed, D. P. Visco, D. M. Bastidas
Summary: This study investigated the effect of Na+ and Ca2+ cations on the chemical activity of NO2-/NO3- corrosion inhibitors on carbon steel rebars in 0.6 M Cl- simulated concrete pore solution. The results showed that Ca2+ ions decrease the chemical activity and activity coefficients of NO2-/NO3-, thereby reducing their mobility and inhibition efficiency.
Article
Chemistry, Physical
Xiaojuan Fan, Tianxiang Li, Xiaoli Wang, Wenqing Deng, Jing Zhu
Summary: In this paper, the phase equilibrium of the ternary system KCl-CO(NH2)(2)-H2O was studied, and two phase diagrams were constructed. The solubility was correlated using the Wilson and NRTL models.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Environmental
Ulderico Di Caprio, Jan Degreve, Peter Hellinckx, Steffen Waldherr, M. Enis Leblebici
Summary: Predicting molecular interactions is crucial for chemical process modeling, but it is often challenging in complex real-world cases. This study introduces a mathematical framework combining first-principle information and machine learning techniques to predict activity coefficients. The proposed framework is validated on experimental and in-silico cases with remarkable prediction capabilities.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Mechanics
Wei Su, Qi Li, Yonghao Zhang, Lei Wu
Summary: The temperature jump problem in rarefied molecular gases is investigated using a one-dimensional heat conduction problem. Analytical formulations for the temperature jump coefficient are derived, and numerical calculations reveal that the temperature jump depends on the thermal relaxation processes. A new formulation is proposed based on the numerical results.
Article
Chemistry, Multidisciplinary
Yanli Li, Dengning Chen, Zhongpu Fang, Hegen Zhou, Jia Zhu, Yi Li, Shuping Huang, Wei Lin, Yongfan Zhang
Summary: First-principles calculations were used to investigate the reaction mechanisms of CO2 conversion to methanol over supported copper clusters. The adsorption and migration of hydrogen atoms were found to significantly impact the catalytic activity. The size of the cluster was found to influence the rate-limiting steps and the formate pathway was favored on large copper clusters.
JOURNAL OF CO2 UTILIZATION
(2023)
Article
Engineering, Chemical
Sylwia Rys, Renata Muca, Michal Kolodziej, Wojciech Piatkowski, Astrid Duerauer, Alois Jungbauer, Dorota Antos
CHEMICAL ENGINEERING SCIENCE
(2015)
Review
Engineering, Chemical
Dorota Antos, Wojciech Piatkowski
CHEMIE INGENIEUR TECHNIK
(2016)
Article
Chemistry, Multidisciplinary
Maksymilian Olbrycht, Dawid Kiwala, Maciej Balawejder, Andreas Seidel-Morgenstern, Wojciech Piatkowski, Dorota Antos
CRYSTAL GROWTH & DESIGN
(2016)
Article
Biotechnology & Applied Microbiology
Renata Muca, Wojciech Piatkowski, Dorota Antos
ENGINEERING IN LIFE SCIENCES
(2017)
Article
Biochemical Research Methods
Dawid Kiwala, Jadwiga Mendrella, Dorota Antos, Andreas Seidel-Morgenstern
JOURNAL OF CHROMATOGRAPHY A
(2016)
Article
Biochemical Research Methods
Rafal Gorczyca, Wojciech Marek, Roman Bochenek, Wojciech Piatkowski, Dorota Antos
JOURNAL OF CHROMATOGRAPHY A
(2016)
Article
Chemistry, Applied
Dawid Kiwala, Maksymilian Olbrycht, Maciej Balawejder, Wojciech Piatkowski, Andreas Seidel-Morgenstern, Dorota Antos
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2016)
Article
Thermodynamics
Per E. C. Burstrom, Dorota Antos, T. Staffan Lundstrom, B. Daniel Marjavaara
PROGRESS IN COMPUTATIONAL FLUID DYNAMICS
(2016)
Review
Chemistry, Analytical
Dorota Antos, Wojciech Piatkowski
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2016)
Article
Biochemical Research Methods
Renata Muca, Wojciech Marek, Marek Zurawski, Wojciech Piatkowski, Dorota Antos
JOURNAL OF CHROMATOGRAPHY A
(2017)
Article
Biochemical Research Methods
Wojciech Kazimierz Marek, Dominik Sauer, Astrid Duerauer, Alois Jungbauer, Wojciech Piatkowski, Dorota Antos
JOURNAL OF CHROMATOGRAPHY A
(2018)
Article
Chemistry, Multidisciplinary
Michal Kolodziej, Maksymilian Olbrycht, Izabela Poplewska, Wojciech Piatkowski, Dorota Antos
CRYSTAL GROWTH & DESIGN
(2018)
Article
Engineering, Chemical
Izabela Poplewska, Andrzej Lyskowski, Michal Kolodziej, Piotr Szalanski, Wojciech Piatkowski, Dorota Antos
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2019)
Article
Biochemical Research Methods
Wojciech Kazimierz Marek, Wojciech Piatkowski, Dorota Antos
Article
Chemistry, Multidisciplinary
Michal Kolodziej, Izabela Poplewska, Wojciech Piatkowski, Dorota Antos
CRYSTAL GROWTH & DESIGN
(2018)
Correction
Biochemical Research Methods
Yong Wang, Suhua Yu, Rui Li, Jing Wan, Yuheng Wang, Zongli Huo, Chunyong Wu, Li Mi, Songqin Liu
JOURNAL OF CHROMATOGRAPHY A
(2024)
Review
Biochemical Research Methods
Israel D. Souza, Maria Eugenia C. Queiroz
Summary: Organic-silica hybrid monolithic materials have gained significant attention in separation science and sample preparation due to their unique properties. This review summarizes the characteristics, current status, and recent developments of these materials, as well as discusses synthesis methods, characterization techniques, and strategies for improving extraction efficiency in various applications.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Bhagwat Upreti, Bhanu Prasad Vempatapu, Jagdish Kumar, Pankaj K. Kanaujia
Summary: Lubricating oils are essential for the effective performance of internal combustion engines. This study presents a new HPLC method for determining additives in finished lubricating oils and polar substances in used engine oils.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Zongqing Huang, Haoju Hua, Xiuzhen Du, Zipeng Zhen, Wei Zhao, Jun Feng, Ji-an Li
Summary: This study successfully isolated VHHs against the SUMO protein for the first time using biopanning of an immune camelid nanobody library. The VHHs were coupled to agarose resins to form affinity chromatography resins, allowing for one-step purification of various SUMO fusions.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Xueting Qiu, Xuben Hou, Yue Yang, Hao Fang, Fei Cui, Xinying Yang
Summary: In this study, a new method based on electrophoretically mediated microanalysis was developed for the investigation of PTPRO enzymatic activity. The method was successfully used to determine the kinetics of PTPRO and the inhibitory concentration of PTPRO inhibitors. The method exhibited improved accuracy and reduced consumption compared to traditional methods.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Feifei Luo, Mengmeng Hao, Lei Zhang, Yangguo Xie, Wei Hou, Hongya Wang, Zhongli Zhang
Summary: In this study, a comprehensive screening and structure elucidation of 23 nonvolatile organic compounds (NVOCs) in two antibody drugs was conducted. Seven previously unreported compounds were identified. A quantitative method with high sensitivity, accuracy, and precision was developed for evaluating the safety of NVOCs in drug products.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Zuzana Vosahlova, Kveta Kalfkova, Martin Gilar, Jakub Szymarek, Maria Mazurkiewicz-Beldzinska, Sylwia Studzi
Summary: A hydrophilic interaction liquid chromatography method was developed for the separation and identification of oligonucleotide impurities and metabolites, and successfully applied to the analysis of serum samples from Spinraza-treated patients.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Aswanidevi Kongasseri, Thirumalai Madhesan, Sangeetha Krishna Kumar, Sushmitha Pedugu Sivaraman, Suchashrita Mitra, Pitchaiah Kancharlapalli Chinaraga, C. V. S. Brahmmananda Rao, Sivaraman Nagarajan, Prabhakaran Deivasigamani, Akhila Maheswari Mohan
Summary: This study focuses on the sequential separation of trivalent lanthanides using modified C-18 silica-packed supports and reversed-phase HPLC technique. By tuning the column modifiers and separation parameters, the researchers achieved systematic separation of Ln(3+). The results showed that the choice of column modifiers and fine-tuning of the modification procedure were crucial for achieving excellent separation.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Raquel Perez-Robles, Szabolcs Fekete, Robert Kormany, Natalia Navas, Davy Guillarme
Summary: There is a mismatch between the sample diluent and the mobile phase in HILIC analysis, leading to analyte breakthrough and peak distortion. Adding a weak solvent for pre-injection can effectively prevent these issues and improve sensitivity.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Oleg Pokrovskiy, Irina Rostovschikova, Konstantin Ustinovich, Ilya Voronov, Dmitry Kosyakov
Summary: A chromatography-like propagation of water through the material bed was observed during supercritical fluid extraction of aroma plants with high moisture content, which could be significant for modeling the kinetics of supercritical fluid extraction of non-volatile compounds.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Yasar Kemal Recepoglu, Ozguer Arar, Asli Yuksel
Summary: Biosorption using phosphorylated hazelnut shell waste (FHS) is a promising method for lithium removal and recovery. This study investigated the performance of a continuous-flow packed-bed column system using FHS for ultra-low level lithium removal. The results showed that the lihium biosorption capacity of the FHS column was unaffected by the bed height, but decreased with increasing flow rate.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Jian Sun, Zheheng Zheng, Zixiao Jia, Jiabin Wang, Xucong Lin
Summary: In this study, an ionic covalent organic framework (iCOF) surface grafting monolithic sorbent was prepared for in-tube solid-phase microextraction (SPME) of aristolochic acids (AAs) in various samples. The density of quaternary ammonium ions in the iCOF was modulated for enhanced adsorption of AAs. The iCOF surface grafting monolithic sorbent was confirmed by different means. Several operating conditions were optimized to develop the online in-tube SPME-HPLC method, which showed good linearity, low limits of detection, and high recoveries for AAs in serum samples. This study presents a feasible approach for the application of COF-based monolithic sorbents in sample preparation.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Zeng Wen, Ruihan Peng, Die Gao, Jing Lin, Jia Zeng, Zhou Li, Famin Ke, Zhining Xia, Dandan Wang
Summary: A chitosan-alginate sponge with multiple cross-linking networks was developed for adsorption and enrichment of anionic dyes from food samples. The sponge showed better three-dimensional network structure, mechanical behavior, and stability compared to pure chitosan and alginate sponges. The adsorption performance and selectivity of the sponge were systematically studied, and it maintained high adsorption capacity and selectivity for anionic dyes. The sponge also showed satisfactory reusability and was successfully combined with high-performance liquid chromatography for the enrichment and detection of anionic dyes in candy and cocktail samples.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Hairong Zhang, Xiaojuan Jiang, Dandan Zhang, Yuexin Yang, Qiang Xie, Caisheng Wu
Summary: Analysis of in vivo exposure to traditional Chinese medicine using mass spectrometry is helpful for identifying effective ingredients and developing new drugs. This study focused on Forsythia suspensa (Lian Qiao) and used metabolomics technology to explore its in vivo exposure. By comparing the differences before and after administration, a complete set of nontargeted analysis strategies for TCM exposure was established. The study identified 393 Lian Qiao-related chemical components in mice after administration, including prototypes and metabolites. This study provides a reference for research on the active ingredients of Lian Qiao in vivo.
JOURNAL OF CHROMATOGRAPHY A
(2024)
Article
Biochemical Research Methods
Oscar Castejon-Musulen, Ricardo Lopez, Ignacio Ontan, Vicente Ferreira
Summary: A quantitative analytical method was developed and validated in this study to determine the concentrations of 81 aroma-relevant wine volatiles. The method utilizes stir bar sorptive extraction and multidimensional gas chromatography with flame ionization detector or mass spectrometer. The method demonstrated good linearity, reproducibility, and recovery, and was successfully applied to analyze 20 wine samples.
JOURNAL OF CHROMATOGRAPHY A
(2024)
