Article
Engineering, Chemical
Zichun Chai, Xianshuang Bi, Hongbai Jia
Summary: This study investigated the adsorption of diethyl phthalate (DEP) by biochar samples derived from different feedstocks. The results showed that giant reed biochar had the highest adsorption capacity due to its larger surface area. An increase in solution pH reduced the adsorption capacity, while an increase in sodium ionic strength enhanced the adsorption. Additionally, the adsorption process was spontaneous and exothermic at a lower temperature.
Article
Environmental Sciences
Simoni Da Ros, Katherine Curran
Summary: Understanding the partitioning behavior of SVOCs like phthalates between different materials and air is crucial for assessing human exposure levels and polymer degradation mechanisms. This study presents a new model to describe the distribution of DEP between surfaces and surrounding air based on temperature. By estimating model parameters with experimental data, accurate predictions of partition coefficients were achieved, providing important insights for developing improved mathematical descriptions of degradation mechanisms related to plasticizer loss.
Article
Biochemistry & Molecular Biology
Mohamed Mobarak, Rabea A. M. Ali, Moaaz K. Seliem
Summary: The study involved impregnating chitosan into activated coal to produce a Cs/Ac composite, which effectively adsorbed Mn(VII) in an endothermic process. The adsorption mechanism was found to be diverse and temperature-dependent.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Engineering, Environmental
Zhen Huang, Chao Xiong, Lingri Ying, Weilong Wang, Shixing Wang, Jing Ding, Jianfeng Lu
Summary: In this study, a novel sorbent Co-Al-LDH@CS/Fe3O4 was synthesized for the removal of Pb (II) and Cr (VI) from water. The adsorbent showed high adsorption capacity, good selectivity, and reusability for both contaminants.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Hanbo Chen, Peng Qin, Xing Yang, Amit Bhatnagar, Sabry M. Shaheen, Jorg Rinklebe, Fengchang Wu, Song Xu, Lei Che, Hailong Wang
Summary: This study investigated the impact of plant- and animal-derived biochar on the competitive sorption-desorption of potentially toxic elements (PTEs) and phthalic acid esters (PAEs) in soils with different organic carbon content. The sorption behavior was influenced by biochar type, application dose, and soil organic carbon content. Additionally, the reciprocal effect between DEP and Cd2+ was found to be a crucial factor affecting their sorption/desorption behavior by biochar, with pig carcass biochar showing greater efficacy in metal/DEP immobilization.
ENVIRONMENTAL RESEARCH
(2021)
Article
Engineering, Environmental
Yongsong Ma, Kaifa Du, Yifan Guo, Mengyi Tang, Huayi Yin, Xuhui Mao, Dihua Wang
Summary: This study utilizes molten salt electrolysis to convert carbon dioxide (CO2) into high value-added carbon materials and prepares a core-shell catalyst (Co@C) using CO2 as the inorganic carbon source. The catalyst shows high catalytic performance, low leaching rate, wide pH applicability, and low activation energy for the degradation of diethyl phthalate (DEP) using peroxymonosulfate (PMS) as the oxidant. The DEP degradation pathways involve multiple reactions including elimination, abstraction, decarboxylation, and esterification. The study also provides insights into the design of heterogeneous catalysts using CO2 as the carbon source.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Ning Min, Jun Yao, Meseret Amde, Hao Li, Wancheng Pang, Junjie Zhu, Ying Cao, Hans Hermann Richnow
Summary: Compound-specific isotope analysis (CSIA) was used to investigate the degradation mechanism of nano titanium dioxide (TiO2) in the photodegradation of diethyl phthalate (DEP). The study revealed that the degradation of DEP follows first-order kinetics, with a higher degradation rate at neutral conditions. The 13C and 2H isotope fractionation indicated that the addition of & BULL;OH on the benzene ring of DEP is the main conversion pathway. Additionally, hydroxyl radicals were identified as the dominant radical species in the studied systems.
Article
Multidisciplinary Sciences
Corinna Jie Hui Goh, Liang Cui, Jin Huei Wong, Jacqueline Lewis, Megan Goh, Kiat Whye Kong, Lay Kien Yang, Mohammad Alfatah, Yoganathan Kanagasundaram, Shawn Hoon, Prakash Arumugam
Summary: Phthalates are commonly used as plasticizers in consumer care products. One specific phthalate, diethyl phthalate (DEP), has been found to have developmental and reproductive toxicities. The mechanisms underlying these toxic effects are not fully understood, but a chemogenomic profiling study in yeast identified two transcription factors that provide resistance to DEP. DEP's inhibitory effect on yeast growth was stronger in nitrogen-poor conditions, and the addition of amino acids suppressed its toxicity. Targeted metabolite analyses revealed that DEP treatment alters the amino acid profile of yeast cells, suggesting that DEP affects nitrogen metabolism. These findings have implications for understanding the toxic effects of DEP in humans.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Applied
Wenkun Zhang, Ting Huang, Yu Ren, Shuai Yang, Xinyao Zhao, Maosen Yuan, Jinyi Wang, Qin Tu
Summary: In this study, an improved method was used to prepare ZIF-67/QGO/SB-CS aerogel for the removal of PPCPs in water. The aerogel exhibited antifouling, bacterial filtration, and oil-water separation abilities, with excellent adsorption performance.
CARBOHYDRATE POLYMERS
(2022)
Article
Engineering, Environmental
Mei Shi, Xiao Wang, Mengying Shao, Lun Lu, Habib Ullah, Hao Zheng, Fengmin Li
Summary: Plastic pollution is a global environmental issue, and the removal of inherent plasticizer has gained significant attention. This study investigated the characteristics and performance of biochars derived from six different biomass wastes in China for the adsorption of diethyl phthalate (DEP), a frequently detected plasticizer in water. The results showed that the properties of biochars, such as porosity, specific surface area, and surface functional groups, varied with the feedstock type, which influenced the adsorption and desorption of DEP. The adsorption mechanisms involved hydrophobic effect, micropore filling, hydrogen bonding, and pi-pi EDA interactions. Among the biochars, giant reed biochar exhibited high DEP adsorption capacity and low desorption, making it an efficient and environmentally friendly sorbent for DEP removal. These findings are important for the production of designed biochars from different biomass wastes to control plasticizer pollution.
FRONTIERS OF ENVIRONMENTAL SCIENCE & ENGINEERING
(2023)
Article
Engineering, Environmental
Yuxuan Jin, Ze Liu, Le Han, Yanbo Zhang, Li Li, Siyu Zhu, Zhonghao Peng Jiaxing Li, Dongmin Wang
Summary: A novel coal-analcime composite adsorbent was successfully synthesized from coal gangue, enhancing the adsorption capacity of analcime for heavy metal ions. The modified coal loaded on the surface of analcime significantly improved the chemo-adsorption between heavy metal ions and the composite, with a maximum Pb2+ exchange capacity of 268 mg/g achieved.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Materials Science, Ceramics
Pooja Singla, Aayush Gupta, K. Singh, O. P. Pandey
Summary: The study focused on the optimization of TiO2 polymorphs for photocatalytic degradation of organic compounds, finding that the presence of both brookite and anatase improves the photocatalytic efficiency. Structural and optical characteristics of TiO2 were investigated using various analytical techniques to understand the impact of heat treatment-induced anatase-brookite composition on photocatalysis.
CERAMICS INTERNATIONAL
(2021)
Article
Green & Sustainable Science & Technology
Shuting Zhuang, Kunkun Zhu, Jianlong Wang
Summary: In this study, fibrous chitosan/cellulose composite was prepared using the wet-spinning method to increase its specific surface area, thus enhancing the adsorption capacity towards Co(II). The as-prepared fibrous composite showed a homogeneous fiber structure and high specific surface area, leading to a significant improvement in Co(II) adsorption capacity. The adsorption kinetic behavior followed the pseudo second-order kinetic model, and the amino groups along with hydroxyl groups played a dominant role in Co(II) coordination and adsorptive removal.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Environmental Sciences
Wenjie Liu, Qingliang Wang, Hongqiang Wang, Qi Xin, Wei Hou, Eming Hu, Zhiwu Lei
Summary: A novel chitosan/Chlorella pyrenoidosa composite adsorbent bearing phosphate ligand (CSP/ CP) was designed and synthesized in this study, showing high uranium adsorption capacity and excellent selectivity for uranium. The mechanism analysis revealed that CSP/CP has active sites for high-performance uranium adsorption, and it can be recycled more than five times through desorption with 0.1 M Na2CO3 + 2% H2O2 at 318 K, providing a new scientific basis for the preparation of high selectivity composite adsorbent by chitosan.
Article
Chemistry, Applied
Chunzi Xu, Yunlan Xu, Dengjie Zhong, Haixing Chang, Jiaxin Mou, Hui Wang, Hongyu Shen
Summary: The Zr4+ cross-linked chitosan-thiourea composite was synthesized for the first time and showed excellent acid-base resistance, reusability, and high adsorption capacity for Cr(VI) removal.
CARBOHYDRATE POLYMERS
(2022)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)