Article
Materials Science, Multidisciplinary
Fu Zhang, Xianghong Li, Shuduan Deng, Min Tang, Guanben Du
Summary: BS-18 acts as an efficient mixed-type inhibitor for CRS in H3PO4 solution, showing good inhibition performance following Langmuir adsorption isotherm on CRS surface with geometric blocking effect.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Geochemistry & Geophysics
Luciana Sciascia, Ilaria Calabrese, Gennara Cavallaro, Marcello Merli, Cinzia Scialabba, Maria Liria Turco Liveri
Summary: This study successfully investigates the properties of surfactant-intercalated Montmorillonites as an effective drug delivery system for the antibiotic metronidazole. The results show that the system enhances drug stability and control drug uptake and release, with preferential drug adsorption in the clay interlayer. Overall, the prepared organo-montmorillonite demonstrated good performance in controlled release of the antibiotic under physiological conditions.
Article
Biochemistry & Molecular Biology
Ewelina Waglewska, Urszula Bazylinska
Summary: The study focused on developing safe and biocompatible oil-in-water nanoemulsions using betaine-derived surfactants, which showed high stability in various analyses. The most promising nanoemulsions under 200 nm in size were identified for potential delivery of active agents in future cosmetic, pharmaceutical, and biomedical applications.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Mechanics
Joshua P. King, Calum S. G. Butler, Stuart W. Prescott, Anna V. Sokolova, Liliana de Campo, Ashley P. Williams, Rico F. Tabor
Summary: Wormlike micelles (WLMs) are important components in many consumer products and industrial fluids due to their shear-dependent viscous texture. The alignment of the worms in the shear field plays a crucial role in their behavior during shear, leading to rapid ordering loss when shear stops. However, most studies on these systems have been limited to dilute solutions, and analyzing shear-induced many-body effects in high volume fraction dispersions has proven to be complex. In this study, the shear alignment of concentrated WLM solutions was explored, and it was found that these concentrated worms can be approximated as cylinders that align more with the shear direction as volume fraction and shear rate increase.
Article
Chemistry, Physical
Emily Maulden, Elizabeth Gager, Juan C. Nino, Carolyn I. Pearce, James E. Szecsody, Nathan M. Mackey, Thi Le, Mark Johnson, Noah Caracuel, Nathalie A. Wall
Summary: Nuclear waste repository designs require backfill materials capable of immobilizing contaminants, including high mobility pertechnetate (TcO4-). Bentonite backfill can be functionalized with organic or inorganic species to optimize the clay's retention capacity for TcO4-. The current work examines the physicochemical properties of organoclays that were functionalized with alkylammonium cations of different sizes and iron. The organoclays were characterized, and the physicochemical characteristics were correlated with the extent of TcO4- removal. The results show that the clay zeta potential and carbon content are valuable indicators for predicting the organoclay's ability to sequester TcO4- from aqueous solution. Furthermore, the Fe functionalization improves TcO4- removal.
APPLIED CLAY SCIENCE
(2023)
Article
Chemistry, Physical
Francis Merlin Melataguia Tchieno, Evgenia Dmitrieva, Susanne Boye, Sandra Schiemenz, Robert Kluge
Summary: A high cationic density polymer (poly(diallyldimethylammonium chloride)) intercalated montmorillonite (PDDA@Mt) was prepared at room temperature for the electrochemical determination of mangiferin.
APPLIED CLAY SCIENCE
(2023)
Article
Chemistry, Physical
Yongxin Zhu, Xiaohui Li, Daquan Zhang, Lixin Gao
Summary: The study shows that the amphoteric surfactants, BS and BS-12, act as effective inhibitors in 4 M NaOH for Al-air battery, suppressing self-corrosion of the Al alloy anode and improving anode utilization efficiency. The action mechanism of the surfactants is proposed based on their different molecular structures.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Physical
Qiang Li, Romain Berraud-Pache, Yongjie Yang, Christelle Souprayen, Maguy Jaber
Summary: This study synthesized a bio-organoclay by modifying bentonite with natural soybean lecithin, and analyzed the effects of different factors on the properties of the modified bentonite. The results showed that reaction time and temperature had little impact on the properties of the modified bentonite, while an increase in pH and lecithin concentration significantly increased the interlayer space.
APPLIED CLAY SCIENCE
(2023)
Article
Green & Sustainable Science & Technology
Ali Mahmoodi, Zahra Jiryaei, Ayda Dadras, Manouchehr Khorasani, Xianming Shi
Summary: The study synthesized a series of yellow hybrid dye-clay nanopigments (DCNPs) to replace traditional lead chromate pigments, with higher thermal stability, weathering stability, and chemical stability. These pigments exhibit a bright yellow shade in pavement marking paint and have a stronger coloring power.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Chemistry, Analytical
Liliane M. Dongmo, Leopoldine S. Guenang, Sherman L. Z. Jiokeng, Arnaud T. Kamdem, Giscard Doungmo, Bassetto C. Victor, Milica Jovic, Andreas Lesch, Ignas K. Tonle, Hubert Girault
Summary: An amperometric sensor based on inkjet-printed graphene electrode modified with amine-functionalized montmorillonite has been developed for electroanalysis and quantification of gentisic acid. The sensor demonstrated charge selectivity for electrochemical oxidation of GA in acidic medium, showing high sensitivity and a wide linear range for GA detection. The developed method using a cheap clay material could be applied for determination of various phenolic acids.
Article
Chemistry, Multidisciplinary
Xue Wang, Meiwei Huang, Zhaoben Su, Libo Qian, Yong Guo, Qing-Yun Chen, Chengying Wu, Tao Lv, Qin Su, Qing Shen, Jie Ma
Summary: Due to the potential bioaccumulation and toxicity of PFOS, PFOA, and their derivatives, people have tried to substitute legacy fluorosurfactants with short-chain alternatives. While short-chain alternatives can reduce bioaccumulation, their surface activity is compromised. In this study, a series of fluoroether betaine surfactants were prepared and investigated for their surface activity and spreading property. The role of oxygen in surface activity was discussed, and it was found that the insertion of oxygen atoms into the fluorinated chain can increase hydrophobicity and enhance surface activity. The inclusion of oxygen also diversified the structure to bridge the gap in surface activity between short and long fluorosurfactants. Overall, this work provides fundamental knowledge for molecular design.
CHINESE CHEMICAL LETTERS
(2023)
Article
Engineering, Environmental
Wuhui Luo, Qidong Huang, Ping Zeng, Cheng Cheng, Xiujuan Yuan, Ting Xiao, Meng Zhang, Philip Antwi, Jialiang Xing, Sili Ren
Summary: In this study, a novel FeOMt composite was designed for the removal of nitrate and/or phosphate from aqueous solution, showing high efficiency and reusability. The phosphate uptake of FeOMt is stable, while the nitrate uptake decreases with increasing ionic strength.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Multidisciplinary Sciences
Hongyan Deng, Haixia He, Wenbin Li, Touqeer Abbas, Zhifeng Liu
Summary: Fe3O4 magnetic biochar (MBC) was prepared and coated with BS-12 modified bentonite (BS-B) to form BS-B/MBC composites. The composites showed enhanced magnetism and improved adsorption efficiency for Cu2+ and TC.
Article
Chemistry, Physical
Dan Ni Li, Ye Xi Zhang, Zhao Hua Ren, Le Le Cai, Jing Huang, Bei Bei Li, Qing Hua Zhang, Meng Ting Yi, Xiao Feng Quan, Yun Xiao Wang, Ben Ru Wang, Zheng Bo Qian, Jun Ru Wang, Huan Tian, Jie Yuan, Ni Wang, Qi Li Long, Xuan Ming Zhang
Summary: The micellization behavior and molecular interaction of the quasi-binary mixture of AAS-CO and STAB in aqueous solution were investigated using tensiometry and conductometry. Synergistic interaction and non-ideal mixing were observed in the entire composition range. Addition of AAS-CO altered the interaction behavior between surfactants.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Environmental Sciences
Wenpo Xu, Chengshuai Liu, Jian-Ming Zhu, Hongling Bu, Hui Tong, Manjia Chen, Decan Tan, Ting Gao, Yizhang Liu
Summary: The adsorption behavior of cadmium by mineral-organic associations (MOAs) formed by clay minerals and organic matter is influenced by the speciation of amphoteric organic matter and solution pH. The adsorption capacities of MOAs vary under different conditions, providing insights into the mobility and fate of cadmium in clay-based soils.
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
(2022)
Article
Engineering, Environmental
Georgy Lazorenko, Anton Kasprzhitskii, Faiz Shaikh, R. S. Krishna, Jyotirmoy Mishra
Summary: The mining industry generates a significant amount of waste rock and tailings, which can harm the environment. Utilizing geopolymer technology offers a green solution to managing these wastes. This article reviews the characteristics of different types of tailings and the technology of preparing geopolymers based on them.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2021)
Article
Materials Science, Multidisciplinary
Georgy Lazorenko, Anton Kasprzhitskii, Vasilii Mischinenko, Alexander Kruglikov
Summary: Nanocellulose/geopolymer composites were successfully fabricated, with cellulose nanofibrils effectively enhancing the geopolymer's tensile strength. However, an increase in CNF content led to a dramatic change in mixture consistency, requiring further optimization of composition for full reinforcing potential.
Article
Construction & Building Technology
Georgy Lazorenko, Anton Kasprzhitskii, Elham H. Fini
Summary: This research investigated the influence of shape and size of plastic waste on the properties of geopolymer mortars. The study found that smaller plastic aggregates improved the flowability and mechanical properties of the geopolymer mortars. However, the presence of PET particles resulted in lower compressive strength and splitting tensile strength due to poor interaction with the matrix. Enhancing the adhesion between PET particles and geopolymer mortars could potentially address this issue.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Editorial Material
Crystallography
Georgy Lazorenko, Anton Kasprzhitskii, Zhaohui Li
Article
Materials Science, Ceramics
Georgy Lazorenko, Anton Kasprzhitskii
Summary: A comparative study on water sorption by different components of the binder phase formed in geopolymerization was conducted using the GCMC simulation method. The results showed that structural changes in the host framework significantly affect water sorption properties. The simulation results provide valuable information on the behavior of water confined in geopolymeric binder phase, contributing to a better understanding of water adsorption mechanism.
CERAMICS INTERNATIONAL
(2022)
Article
Green & Sustainable Science & Technology
Georgy Lazorenko, Anton Kasprzhitskii, Elham H. Fini
Summary: This work explores the recycling potential of PET bottle wastes as a substitute for natural sand in GP mixtures, aiming to reduce plastic pollution and promote a circular economy. The study finds that increasing the content of plastic aggregates in GP mortars leads to a decrease in compressive and flexural strength, but replacing a certain volume of sand with plastic aggregates can improve the splitting tensile strength and workability of fresh geopolymer mixes. Additionally, the inclusion of recycled PET bottle wastes in GP mortars offers advantages in lightweight, water absorption, and thermal insulation properties, contributing to the production of sustainable construction materials with environmental and economic benefits.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Crystallography
Andrey Morozov, Tatiana Nazdracheva, Andrei Kochur, Victor Yavna
Summary: This study provides data on the IR spectra of kaolinite at different moisture levels and explores the interaction between liquid water and the sorbing basal surfaces of kaolinite. The results suggest that the adsorption effect is weaker than the solvation effect, and it decreases with increasing salinity. The study also observes an increase in peak intensities during the drying process. These findings are valuable for testing theoretical models and computer simulations of moist minerals and salt adsorption mechanisms.
Article
Physics, Fluids & Plasmas
Vladimir Shapovalov, Andrey Vasilchenko, Victor Yavna, Andrei Kochur, Maksim Okost
Summary: A ground-penetrating radar (GPR) technology was developed to study the process of water drainage in sand layers. The technology allows for accurate determination of the electrophysical properties of the sand layers and visualization of the distribution of water in radar data.
Article
Multidisciplinary Sciences
Anton Kasprzhitskii, Alexander Kruglikov, Yakov Ermolov, Georgy Lazorenko
Summary: The data in this paper were obtained using CASTEP based on the density functional theory (DFT) with considerations of van der Waals interactions and semi-empirical correction. The data include the optimized geometry and electronic properties of non-hydrated cis- and trans-vacant namontmorillonite (MMT) and its equilibrium state after the adsorption of water molecules. The formation of hydration shells by Na+ cation on the basal surface of MMT is also presented. The behavior of crystalline hydroxyl groups and water molecules during adsorption is demonstrated. Data files of the optimized crystal structures and electronic properties can be read by public text editors.
Article
Chemistry, Inorganic & Nuclear
Anton Kasprzhitskii, Georgy Lazorenko, Alexander Kruglikov, Irina Kuchkina, Vadim Gorodov
Summary: The study revealed that modification of palygorskite with 3-aminopropyltriethoxysilane (APTES) and vinyltrimethoxysilane (VTMS) can enhance the adhesion and dispersion of the nanofiller in the polymer matrix, thereby improving the mechanical properties of PLA/palygorskite nanocomposites.
Article
Mathematics, Interdisciplinary Applications
Anton Kasprzhitskii, Georgy Lazorenko, Tatiana Nazdracheva, Victor Yavna
Summary: This research evaluates the inhibitory effect of L-amino acids with different side chain lengths on Fe (100) surfaces using Monte Carlo simulation. The study found that nonpolar and basic amino acids exhibit the best adsorption ability and inhibitory efficiency on the iron surface.
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
