Article
Chemistry, Physical
S. M. Rafiul Islam, Malik Abdul Rub, Md. Rafikul Islam, Kamrul Hasan, Shamim Mahbub, Yousef G. Alghamdi, Abdullah M. Asiri, Shahed Rana, Md. Anamul Hoque, D. M. Shafiqul Islam
Summary: The cloud point measurement and UV-visible spectroscopic techniques were used to investigate the phase separation, assembly formation, and thermodynamic properties of the Triton X-100 (TX-100) + promethazine hydrochloride (PMH) drug mixed system. The impact of monohydroxy alcohols on the clouding development of the TX-100 + drug mixed system was also demonstrated. The critical micelle concentration of the TX-100 + PMH mixture increased with temperature. The obtained free energy values revealed the non-spontaneity of clouding and spontaneous aggregation of the TX-100 + PMH mixture. The micellization of the TX-100 + PMH mixed system was accompanied by hydrophobic interaction.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Md. Nazrul Islam, Malik Abdul Rub, Md. Rafikul Islam, Md. Abdul Goni, Shahed Rana, Dileep Kumar, Abdullah M. Asiri, Yousef G. Alghamdi, Md. Anamul Hoque, Shariff E. Kabir
Summary: This study investigated the potential interactions between the antibiotic ceftriaxone sodium (CTS) and the surfactant triton X-100 (TX-100) in the presence and absence of various sodium based electrolytes and hydrotropic salts. The results showed that the hydrophilic interaction was significant when sodium salicylate (NaSal) was used, but not significant when sodium benzoate (NaBenz) was used. Thermodynamic variables were calculated to evaluate the nature of the interactions, and the findings may have important implications for pharmaceutical formulations and understanding drug-surfactant interactions.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Md Rasel Ahmed, Malik Abdul Rub, Md Idrish Ali, Shahed Rana, Marzia Rahman, Dileep Kumar, Abdullah M. Asiri, Md Anamul Hoque
Summary: The clouding behaviors of Triton X-100 and sodium alginate mixture in different alcohols media were investigated. The study found that the cloud point values increased with the concentration of alcohols, and the clouding behavior was non-spontaneous. The standard free energy, enthalpy, and entropy of the clouding behavior were measured to understand the process. The binding of Triton X-100 with sodium alginate was studied using UV-visible spectroscopy, and the binding constant was determined.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Tajmul Hasan, Malik Abdul Rub, Md. Tuhinur R. Joy, Shahed Rana, Farah Khan, Md. Anamul Hoque, Mahbub Kabir
Summary: The cloud point of the mixture of aqueous triton X-100 and metformin hydrochloride was studied in the presence of various inorganic salts. The values of cloud point decreased as the concentration of electrolytes increased, indicating enhanced aggregation. Thermodynamic variables were determined, revealing that hydrophobic and electrostatic interactions are the primary forces between triton X-100 and metformin hydrochloride.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Jacqueline Lalthlengliani, Jackson Gurung, Ajmal Koya Pulikkal
Summary: This article discusses the interaction between anionic surfactant (SDS) and cationic surfactants (TTAB, CTAB, CPC, CPB) with poorly soluble drug (PTZ) in Triton X-100 aqueous media by investigating various physicochemical parameters. The experimental results indicate feasible interactions between these surfactants and PTZ, which improve significantly after reaching their respective critical micelle concentrations. The study also reveals the stoichiometric ratios of drug-surfactant complexes and the aggregation number and micro-polarity of surfactants in the PTZ-TX-100 system.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Yuliet Paez-Amieva, Jose Miguel Martin-Martinez
Summary: This study investigates the interactions between different polyols as a model for understanding the interactions between soft segments in PUs. Blends of polyester-PE and polycarbonate diol-CD with similar molecular weights were prepared and their structural, thermal, surface, viscoelastic, and self-adhesion properties were evaluated. Synergistic structural properties were observed in CD + PE blends, mainly attributed to the disruption of carbonate-carbonate interactions in CD and the formation of new ester-carbonate and hydroxyl-carbonate interactions. The different interactions between the polyol chains were evident in the surface properties of the blends, and all blends exhibited self-adhesion properties.
Article
Chemistry, Multidisciplinary
Rui Peng Cong, Yan Hua Guo, Jian Qin Zhou, Jian Wen Wang
Summary: In this study, the addition of Triton X-100 was found to enhance laccase production in Shiraia spp. S9 mycelium culture and facilitate the biodegradation of the micropollutant triclosan. The surfactant induced the release of reactive oxygen species, increased membrane permeability, and upregulated laccase-related gene expression, resulting in a 108-fold increase in laccase production. After 2 days of culture, the degradation and adsorption rate of triclosan reached 80.71% and 10.21%, respectively, and triclosan was almost completely removed (99.88%) from the water phase through a combination of biodegradation and cloud point extraction.
SUSTAINABLE CHEMISTRY AND PHARMACY
(2023)
Article
Environmental Sciences
Shiming Li, Xuming Ge, Shengfu Li, Bo Xu, Zhendong Wang
Summary: In this paper, a systematic incremental registration method is proposed for successfully registering point cloud data from different sources. The robustness of this method is attributed to the elimination of noise in extracted linear features and its 2D incremental registration strategy. Experimental results demonstrate that this method can efficiently achieve data registration and has good generality.
Article
Computer Science, Software Engineering
Wenxiao Zhang, Huajian Zhou, Zhen Dong, Jun Liu, Qingan Yan, Chunxia Xiao
Summary: Point cloud shape completion is important in 3D vision and robotics applications. Early methods generated global shapes without refining local details. Current methods use local features to preserve observed geometric details, but they ignore long-distance correlation between skeleton and details. In this work, we propose a coarse-to-fine completion framework that leverages neighboring and long-distance cues, and introduces a Skeleton-Detail Transformer and selective attention mechanism. Experimental results show that our network outperforms state-of-the-art methods.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2023)
Article
Computer Science, Artificial Intelligence
Diogo C. Garcia, Camilo Dorea, Renan U. B. Ferreira, Davi R. Freitas, Ricardo L. de Queiroz, Rogerio Higa, Ismael Seidel, Vanessa Testoni
Summary: This research focuses on the Moving Picture Experts Group video-based point cloud compression (V-PCC) solution and its compression effect on plenoptic point clouds (PPC). A new method is proposed to enhance the realism of the point cloud by generating difference images and transformed atlases, which is compatible with the existing single-color V-PCC decoder.
IEEE TRANSACTIONS ON IMAGE PROCESSING
(2022)
Article
Chemistry, Analytical
Xinming Pu, Shu Gan, Xiping Yuan, Raobo Li
Summary: This study combines the advantages of different point cloud acquisition methods to provide high-quality basic data for structure measurement and modeling. By analyzing the mechanisms of different sensors, the integrity of point cloud data, and the single-point geometric characteristics, the advantages and disadvantages of different methods for collecting point clouds of special-shaped structures are compared. Additionally, a point cloud void repair technology based on TLS point cloud is proposed to generate high-quality basic point cloud data of special-shaped structures.
Article
Engineering, Electrical & Electronic
Yue Wu, Xidao Hu, Yue Zhang, Maoguo Gong, Wenping Ma, Qiguang Miao
Summary: In this paper, a skip-attention based correspondence filtering network (SACF-Net) is proposed for point cloud registration. It utilizes a feature interaction mechanism and attention mechanism to extract high-quality correspondences from different resolutions of the encoder, leading to unprecedented performance improvements on indoor and outdoor scene datasets.
IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS FOR VIDEO TECHNOLOGY
(2023)
Article
Chemistry, Physical
Malik Abdul Rub, Md Anamul Hoque, Naved Azum, Shamim Mahbub
Summary: This study investigates the aggregation, phase separation, and binding behavior of a mixture of sodium alginate (SA) and surfactants (anionic SDS and nonionic TX-100) in aqueous and aqua-organic mixed solvents. Various physico-chemical parameters were determined, including critical micelle concentration (CMC), extent of bound counter ions, cloud point (CP), binding constant (K-b), thermodynamic properties, and transfer parameters. The results show that the addition of SA facilitates SDS micellization and the CMC of the SA + SDS mixtures depends on SA concentration, composition of mixed solvents, and temperature. The values of counterion binding and CP are influenced by the concentration of SA and other organic additives, as well as the solvent media.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Forestry
Chenming Hu, Yu Ru, Shuping Fang, Hongping Zhou, Jiangkun Xue, Yuheng Zhang, Jianping Li, Guopeng Xu, Gaoming Fan
Summary: This research proposes a point cloud simplification method for trees that takes into account the similarity to the original point cloud and the area of the tree point cloud. The method uses FPFH information entropy and Poisson disc sampling theory to partition and sample the point cloud. By optimizing the separation thresholds of significant feature points and less significant feature points using a genetic algorithm, the final simplified point cloud is obtained. Validation with two point cloud data sets shows that the proposed method achieves good retention of the area information while ensuring point cloud quality, providing new approaches and techniques for processing large-scale forest LiDAR scan point clouds and reducing storage and computing requirements. This can improve the efficiency of forest surveys and monitoring.
Article
Chemistry, Multidisciplinary
Shijie Su, Chao Wang, Ke Chen, Jian Zhang, Hui Yang
Summary: Through the use of a novel MPCR-Net for multiple partial point cloud registration networks, this study demonstrates an improved accuracy and robustness in 3D point cloud registration by utilizing deep learning and rigid body transformation matrices.
APPLIED SCIENCES-BASEL
(2021)
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)