Article
Engineering, Chemical
Zengzi Wang, Zijie Ren, Huimin Gao, Zhiyong Gao, Longhua Xu, Xingyue Zhu, Yang Liu
Summary: This study evaluates the effects of different types of sodium petroleum sulfonate on the flotation recovery of fluorite, finding that the active substance content has a positive effect while the molecular weight plays a negative role. The relatively weak performance of di-sulfonate at high concentration is attributed to the steric-hindrance effect, limiting tail-tail interaction between sulfonates.
MINERALS ENGINEERING
(2021)
Article
Energy & Fuels
Jie Chen, Zhengcai Zhang, Yongchao Hao, Daniel Porfirio Luis Jimenez, Jiafang Xu, Nengyou Wu, Fulong Ning, Bin Fang, Jun Zhang, Jianye Sun, Xiluo Hao, Qingguo Meng, YanLong Li, Yizhao Wan, Chanjuan Liu, Gaowei Hu
Summary: The formation and dissociation of gas hydrate can be influenced by electrostatic fields, making it a potential technology with great application value in hydrate exploitation, prevention, and related technologies. The molecular dynamics simulation revealed that the migration and destruction of ions in the hydrate are influenced by the strength of the electrostatic field. The insights gained from this study are beneficial for the application of electrostatic field in hydrate mining and safety of oil and gas pipeline transportation.
Article
Biochemistry & Molecular Biology
N. R. Kokila, B. Mahesh, Ramith Ramu, K. Mruthunjaya, B. K. Bettadaiah, Harishkumar Madhyastha
Summary: In this study, the antihyperglycaemic properties of methanol extract of Thunbergia mysorensis flowers (MeT) were examined. The extract was found to inhibit alpha-glucosidase, alpha-amylase, and aldose reductase enzymes, and showed significant antioxidant activity. The active component in MeT, gallic acid, was identified and found to effectively inhibit these enzymes. The study suggests that MeT, specifically gallic acid, has potential as a natural antidiabetic drug.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Energy & Fuels
Xin-Ge Fu, Ke Shi, Jian-Liang Xue, Chuan Chen, Yu Bai, Yan-Lu Qiao, Yi-Xuan Liu, Xiang-Ming Hu, Yu Gao, Hao Yu
Summary: This study investigated the adsorption process of petroleum hydrocarbon by immobilised petroleum-degradation bacteria, showing that the bacteria have many holes for adsorption. The adsorption of diesel is found to be a spontaneous, entropy-increasing, and endothermic process. Diesel is first adsorbed through hydrogen bonding on the surface of immobilised petroleum-degradation bacteria before being biodegraded, providing valuable knowledge for controlling petroleum hydrocarbon pollution through immobilisation technology.
Article
Geosciences, Multidisciplinary
Zhi Chai, Zhonghong Chen
Summary: The geochemical characteristics of oils and condensates in the deep Ordovician reservoirs of the Atan Bulge in the southwestern Tabei Uplift of the Tarim Basin were analyzed. The results indicate that the oils and condensates are primarily derived from lower Cambrian marine shale and have undergone multiple generations and charges. The petroleum likely migrated from strike-slip faults during its primary charging period, with the Manjiaer Depression and its slope serving as the primary source kitchens.
MARINE AND PETROLEUM GEOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Nilanjan Adhikari, Tarun Jha
Summary: In this study, the crucial structural contributions of dibenzofuran and dibenzothiophene derivatives towards MMP-12 inhibitory activity were determined using 2D and 3D-QSAR techniques. The study identified that the carboxylic group enhances binding with catalytic Zn2+ ion, i-propyl sulfonamido carboxylic acid contributes positively towards MMP-12 inhibition, and the dibenzofuran moiety confers stable binding at the S1 & PRIME; pocket. Molecular docking and MD simulation studies revealed the stable and compact binding between these compounds at the MMP-12 active site. These findings can aid in the development of selective and potent lead molecules for MMP-12-associated diseases.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Engineering, Mechanical
Qishan Huang, Qingkun Zhao, Haofei Zhou, Wei Yang
Summary: Grain boundaries play a crucial role in the mechanical behaviors of nanocrystalline materials, and their deformation mechanisms are closely related to grain boundary misorientation. In this study, the relationship between grain boundary misorientation and deformation mechanisms was investigated through large-scale molecular dynamic simulations in face-centered cubic metals. An energetic model was developed to predict the critical grain boundary misorientation at which grain boundary sliding surpasses grain boundary migration.
INTERNATIONAL JOURNAL OF PLASTICITY
(2022)
Article
Engineering, Multidisciplinary
Ammar A. Melaibari, Ahmad S. Alamoudi, Mohamed E. Mostafa, Nidal H. Abu-Hamdeh
Summary: The treatment of industrial wastewaters, especially petroleum wastewaters, is of high environmental importance. Recycling wastewater is doubly important in water scarce countries. Refineries, being heavy water consumers, can cause surface and underground water contamination if environmental preservation is not prioritized. Therefore, it is necessary to use appropriate methods to remove toxic substances like phenol from wastewater.
ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS
(2023)
Article
Biochemistry & Molecular Biology
Justin M. Westerfield, Amita R. Sahoo, Daiane S. Alves, Brayan Grau, Alayna Cameron, Mikayla Maxwell, Jennifer A. Schuster, Paulo C. T. Souza, Ismael Mingarro, Matthias Buck, Francisco N. Barrera
Summary: The EphA2 receptor is a promising drug target for cancer treatment, and the TYPE7 peptide has been identified as a potential activator of EphA2. By altering the sequence of TYPE7 and performing various assays, a new potent peptide variant was identified, along with understanding the mechanism of EphA2 activation. Further investigations into the properties of TM ligands that activate membrane receptors were also conducted.
JOURNAL OF MOLECULAR BIOLOGY
(2021)
Article
Physics, Fluids & Plasmas
Hanyi Liu, Jun Zhang, Jia Luo, Dongsheng Wen
Summary: Molecular dynamics simulations were used to investigate the behavior of nanodroplets impacting on superhydrophobic and nanocone-structured surfaces. A model was developed to predict whether the nanodroplets would touch the underlying substrate during impact. The advantages and disadvantages of applying nanocone structures to solid surfaces were revealed by analyzing the restitution coefficient and contact time.
Article
Geochemistry & Geophysics
Hai Hoang, Khac Hieu Ho, Anne Battani, Magali Pujol, Guillaume Galliero
Summary: Noble gases are ideal natural tracers for characterizing the storage, migration, and origin of fluids in geological environments. Simple and predictive models were investigated to estimate elemental and isotopic fractionation of noble gases, with the square-root law showing good prediction for elemental fractionation but unable to provide reasonable results for isotopic fractionation in various solvents. The kinetic theory relation provides a reasonable estimate of isotopic fractionation in gas, but deteriorates in water and oil.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2021)
Article
Pharmacology & Pharmacy
Fangyu Xiao, Jihua Qiu, Ying Zhao
Summary: This study identified potential toxic components in vine tea and explored their effects on liver toxicity. The findings suggest that these components, mainly flavonoids, may induce oxidative stress, promote apoptosis, and affect cell metabolism. However, the hepatotoxicity of vine tea is dose-dependent, duration-dependent, and subject to individual differences.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Tingting Yu
Summary: This study presents atomistic simulations revealing that an increase in driving force may result in slower grain boundary movement and switches in the mode of grain boundary shear coupling migration. Shear coupling behavior is found to effectively alleviate stress and holds potential for stress relaxation and microstructure manipulation in materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Thermodynamics
Gang Wang, Yiwei Ma, Wei Chen
Summary: Gas molecules or isotopes under thermal gradient exhibit different paths due to thermo-osmosis, with 13CH4 molecules tending to accumulate in low-temperature zones and larger thermal gradients promoting isotope fractionation. The differences in Knudsen number also impact the distribution and behavior of methane isotopes within organic pores, with higher Kn values leading to distinct patterns of isotope fractionation.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Review
Neurosciences
Janne Hakanen, Nicolas Parmentier, Leonie Sommacal, Dario Garcia-Sanchez, Mohamed Aittaleb, Didier Vertommen, Libing Zhou, Nuria Ruiz-Reig, Fadel Tissir
Summary: The planar cell polarity protein Celsr3 and the microtubule depolymerizing protein Kif2a cooperatively specify the directionality of neuroblasts tangential migration in the postnatal brain, providing new insights into the mechanisms of neuroblast migration.
PROGRESS IN NEUROBIOLOGY
(2022)
