Article
Chemistry, Physical
Natalia G. Tyurnina, Sergey I. Lopatin, Ekaterina A. Balabanova, Sergey M. Shugurov, Zoya G. Tyurnina, Iryna G. Polyakova
Summary: Samples in the BaO-Al2O3 system were synthesized using solid state synthesis method and characterized by XRD analysis. The vaporization and thermodynamic properties of the system were studied using Knudsen effusion differential mass spectrometry, showing a negative deviation at high temperatures.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Analytical
Daniel D. Vallejo, Jukyung Kang, Jill Coghlan, Carolina Rojas Ramirez, Daniel A. Polasky, Ruwan T. Kurulugama, John C. Fjeldsted, Anna A. Schwendeman, Brandon T. Ruotolo
Summary: The study demonstrates the sensitivity of CIU to changes in mAb structure induced by heat stress, with DSC being less sensitive to these alterations. Both instrumental platforms are able to differentiate mAbs, although minor differences between the results obtained on the two instruments were observed. CIU-based heatmaps and classification offer a rapid assessment of the most differentiating charge states for analysis of infliximab, conservatively estimated to improve mAb stability and HOS measurements' efficiency by 30-fold compared to standard DSC tools.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Nancy Birkner, Changlong Li, Shanna L. Estes, Kyle S. Brinkman
Summary: The study examined the interplay of Li7-3xGaxLa3Zr2O12 electrolytes with various levels of Ga-doping, finding that stability and conductivity decrease with increased Ga substitution due to an increase in defects and blocked ion migration pathways. Excessive Ga doping beyond a certain threshold led to a significant decrease in stability and conductivity by disrupting the Li-ion hopping distance.
Article
Computer Science, Software Engineering
Jean-Yves Colle, Jouni Rautio, Daniel Freis
Summary: Knudsen Effusion Mass Spectrometry is an important research technique used to determine the partial pressures of vapor species at equilibrium over different materials at a given temperature. Researchers worldwide use this technique to determine vapor pressures of different materials and often develop their instrument and software. The software presented in this paper aims to provide a modular LabVIEW software framework for controlling and acquiring data from Knudsen Effusion Mass Spectrometry instruments.
Article
Biochemistry & Molecular Biology
Sk Alim, Mikko Laitaoja, Sonali S. Pawar, Thirumala Rao Talluri, Janne Janis, Musti J. Swamy
Summary: This study focuses on DSP-3, a FnII family protein found in donkey seminal plasma. DSP-3 was found to be heterogeneously glycosylated and acetylated. It exists as a monomer and has high affinity for lyso-phosphatidylcholine.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Biochemistry & Molecular Biology
Sk Alim, Sudheer K. Cheppali, Mikko Laitaoja, Thirumala Rao Talluri, Janne Janis, Musti J. Swamy
Summary: A major FnII family protein, DSP-1, was identified and isolated from donkey seminal plasma, showing homology to other mammalian seminal plasma proteins. The protein is heterogeneously glycosylated and contains multiple acetylations, with binding to choline phospholipids increasing its thermal stability. Further studies suggest that DSP-1 binding to sperm plasma membrane could be physiologically significant.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Materials Science, Ceramics
Olga Yu Kurapova, Sergey M. Shugurov, Evgenia A. Vasileva, Daniil A. Savelev, Vladimir G. Konakov, Sergey I. Lopatin
Summary: Ceria-based solid solutions have insufficient stability at high temperatures, which hinders their applications in electrochemical fields. Investigating the thermal histories and vaporization processes of Y2O3-CeO2 and Y2O3-ZrO2-CeO2 solid solutions revealed that the reduction of Ce4+ to Ce3+ affects the Gibbs energy.
CERAMICS INTERNATIONAL
(2021)
Article
Thermodynamics
Que Huang, Huimin Chen, Kaihui Zheng, Kai Zhu, Changcheng Liu
Summary: The combustion characteristics of electrolytes containing carbonate and carboxylate solvents were studied in this paper using a cone calorimeter. The findings showed that replacing EMC with EA increased the flash point and ignition temperature of the blend. Additionally, the addition of EA led to an increase in the pHRR difference and FGI value, as well as a decrease in flame temperature. The results from Thermochemistry theory were consistent with those obtained from cone calorimeter experiments.
CASE STUDIES IN THERMAL ENGINEERING
(2021)
Article
Chemistry, Physical
T. Dubaj, A. Tsurumaki, M. Palluzzi, M. A. Navarra, A. Ciccioli, G. Dilena, S. Vecchio Ciprioti
Summary: The thermal stability of two borate-based ionic liquids (BOB and DFOB) was investigated. The results suggest that DFOB exhibits higher stability than BOB, possibly due to the charge-stabilizing inductive effect of fluorine atoms.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Guodong Cao, Zhengbo Song, Zhiyi Yang, Zhongjian Chen, Yanjun Hong, Zongwei Cai
Summary: This study developed a database-assisted global metabolomics method using mass spectrometry and identified metabolic differences between tuberculosis and malignant pleural effusions. Specific metabolites involved in different metabolic pathways were found to serve as non-invasive biomarkers for distinguishing between the two conditions.
CHINESE CHEMICAL LETTERS
(2021)
Article
Thermodynamics
N. A. Kuzmin, L. S. Kudin, A. M. Dunaev, V. B. Motalov, B. S. Lukyanov, M. B. Lukyanova, D. N. Govorov
Summary: The sublimation properties of two spiropyrans, SP-1 and SP-2, were studied in the temperature range of 309-363 K and 331-384 K, respectively. It was found that both spiropyrans are thermally stable and sublime congruently in the form of monomeric molecules within the studied temperature range. The sublimation enthalpies and enthalpies of formation for both spiropyrans were evaluated and determined using Knudsen effusion mass spectrometry and quantum chemical calculations.
THERMOCHIMICA ACTA
(2021)
Article
Energy & Fuels
Mark Buckwell, Charlie Kirchner-Burles, Rhodri E. Owen, Tobias P. Neville, Julia S. Weaving, Daniel J. L. Brett, Paul R. Shearing
Summary: Lithium-ion battery safety is crucial for electric vehicles and electrified aerospace. This study examines the thermal runaway of high-power cells and identifies areas for improvement. The research analyzes self-heating and gas evolution using calorimetry and mass spectrometry. Statistical analysis and post-mortem examinations provide a comprehensive assessment of cell failure, highlighting the flammable gas mixture and health hazards. Early detection of self-heating and voltage drops, as well as material ejection during thermal runaway, show potential for effective mitigation strategies.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Oliver J. Hale, Helen J. Cooper
Summary: This study demonstrates a mass spectrometry analysis method for the direct analysis of intact oligomeric membrane proteins from tissue. By characterizing protein assembly directly from sheep eye lens sections without sample pre-treatment, our approach allows for simultaneous analysis of soluble protein assemblies.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Physics, Multidisciplinary
Anatoliy M. Dunaev, Vladimir B. Motalov, Lev S. Kudin
Summary: A multi-technique approach was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate, revealing a complex vapor composition influenced by evaporation conditions and temperature changes.
Editorial Material
Chemistry, Multidisciplinary
Muhammad A. Zenaidee, Joseph A. Loo
Summary: Extending mass spectrometry measurements of biomolecules into the megadalton regime is challenging. However, using single ion-charge detection Orbitrap mass spectrometry, a mass accuracy of 0.001% has been demonstrated for protein particles larger than 9 MDa.
Article
Thermodynamics
J. N. Zappey, E. E. Moore, O. Benes, J. -c. Griveau, R. J. M. Konings
Summary: In this study, the heat properties of technetium metal were measured and analyzed using various thermal measurement methods, including its superconductivity, zero-degree Debye temperature, electronic heat capacity coefficient, and the standard entropy of the superconducting state.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Pengshuai Zhang, Jixiu Deng, Xiaoyu Jiang, Liang Xu, Yu Huang, Han Sun, Mi Gao, Xianghan Wang, Yulong Gao, Kangning Fan, Lu Zhang, Shuoye Yang
Summary: In this study, the solubility of daminozide in twelve neat solvents was determined using the gravimetrical method. Various models were employed to analyze the experimental solubility, and the miscibility of daminozide in the selected solvents was discussed based on Hansen solubility parameters. The results showed that the dissolution mechanism of daminozide in all solvents was entropy-driven.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Jinju Ma, Hao Wu, Dongxu Yi, Wei Liu, Xinding Yao, Tao Li, Baozeng Ren
Summary: In this study, the solubility and compatibility of Agomelatine in different solvents were investigated through experimental and simulation methods. The results showed that Agomelatine forms more stable hydrogen bonds with alcohol solvents compared to other ester solvents. Additionally, the study analyzed the acidity and basicity characteristics of Agomelatine as well as the reasons for differences in solubility.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Angelica V. Sharapova, Marina V. Ol'khovich, Svetlana V. Blokhina
Summary: This study determined the key physico-chemical properties of cardiovascular carvedilol (CVD) in terms of solubility and distribution coefficients in modeling solvents and biphasic systems. The results showed that the solubility of CVD varied significantly depending on the solvent and pH conditions, and the dissolution process deviated from ideality in saturated solutions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Wenxi Song, Na Wang, Mingzhe Tan, Meng Wang, Xin Huang, Ting Wang, Hongxun Hao
Summary: The solubility and thermodynamic behavior of climbazole in different solvents were investigated in this study. The results showed that solubility is influenced by temperature and solvent properties. Furthermore, the solvent effect was evaluated and the molecular mechanism behind the solubility behavior was revealed using solvation energy relationship models and molecular simulation methods.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yuqi Su, Weijie Jia, Junshuai Chen, Songtao Cao, Maogang He, Ying Zhang
Summary: This paper presents a novel measurement method based on the finite volume method (FVM) for measuring the concentration-dependent mutual diffusion coefficient D(C) in binary solution. The measurement principle was derived by integrating Fick's second law and establishing discretization equation. The method was validated through experiments and a semi-empirical correlation was built to study the temperature and concentration influences on the diffusion coefficient D.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Bo Tang, Xiaoyu Yao, Xueqiang Dong, Bowen Sheng, Yanxing Zhao, Jun Shen, Maoqiong Gong
Summary: In this study, metal-bellows variable volumetry was used to measure the saturated vapor pressures and critical parameters of R1234ze(Z) and R1336mzz(Z). New vapor pressure correlations were formulated based on the obtained data. The low uncertainties of the measured values indicate the reliability and reproducibility of the data. The results provide important thermophysical data for the use and optimization of R1234ze(Z) and R1336mzz(Z) in HTHP systems.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Vivek Pathania, Ankita Garg, Navneet Kaur, Neha
Summary: The interaction between Isoniazid and beta-cyclodextrin in solutions was investigated to understand the molecular interactions between different components. The results showed that the interaction between Isoniazid and beta-cyclodextrin affected the volume and compressibility of the solutions, and the hydration behavior of Isoniazid in the solutions was influenced by the cosolvent.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Mauricio Vega-Teijido, Marc E. Segovia, Martina Kieninger, Oscar N. Ventura
Summary: A composite chemical model, SVECV-f12, has been developed to accurately reproduce barrier heights of hydrocarbon species. The model successfully corrects systematic errors between experimental and theoretical values and is used for predicting formation enthalpies and hydrogenation/isomerization enthalpies.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kemal Ozcan, Aylin Boztepe, Erdog an Tarcan, Cagatay Tasdemirci
Summary: In this study, the enthalpy of combustion of methane, the main component of natural gas, was measured using a reference gas calorimeter. The experimental results were compared with the values specified in ISO 6976:2016. The average enthalpy of combustion was determined as -55518.2 kJ kg-1 with an error of 0.2%.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kouki Mekaru, Takuto Miyagi, Ayaka Mishima, Isami Uehara, Ryo Ohmura, Keita Yasuda
Summary: This study investigated the four-phase equilibrium conditions of carbon dioxide + cyclopentane double clathrate hydrate forming systems coexisting with sodium chloride aqueous solution or pure water. The results showed that the double clathrate hydrate is more thermodynamically stable than simple clathrate hydrates under a given sodium chloride concentration.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yameng Wan, Xiaoqiang Gao, Ruiai Wang, Fanfan Li, Yanxun Li, Haixia He
Summary: This study evaluated the solubility of Iminostilbene (IMB) in twelve organic solvents and found that the solubility increased with temperature and showed a specific order in different solvents. The analysis of molecular interactions and solubility parameters provided insights into the dissolution behavior. The UNIQUAC model was used to fit the solubility data, and the thermodynamic properties of the mixing and dissolution processes were thoroughly evaluated.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yinan Liu, Mingcheng Li, Chunying Zhu, Xiqun Gao, Youguang Ma
Summary: This study successfully prepared amine-based functionalized deep eutectic solvents and investigated the effects of solvent composition, water content, and temperature on the properties of the solvent through density and viscosity measurements. The results contribute to a better understanding of hydration and intermolecular interactions in deep eutectic solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Correction
Thermodynamics
Deepak Parmar, Kavitha Kumari, Naveen Kumar, Manju Rani, Mustapha Sahal, Sanjeev Maken
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Ruslan N. Nagrimanov, Aliya R. Ibragimova, Boris N. Solomonov
Summary: In this study, the heats of solution of hydrocarbons and alcohols with 2-methyltetrahydrofuran are systematically analyzed. Structure-property relationships are developed to calculate the enthalpy of solvation of aliphatic alcohols in 2-methyltetrahydrofuran. Specific interactions in the alcohol-2-methyltetrahydrofuran systems are determined to better understand intermolecular interactions in 2-methyltetrahydrofuran solutions. This research provides valuable insights into the properties and energies of these interactions, facilitating the transition to more environmentally friendly solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)