Article
Polymer Science
Zongkun Lin, Yuru Yang, Zizhan Liang, Lei Zeng, Aiping Zhang
Summary: In this study, a CTS/CA/BT composite physical hydrogel was constructed to prevent secondary pollution and enhance adsorption performance. Various analyses were used to determine the formation mechanism and structure of the hydrogel, which showed promising application prospects for heavy metal ion removal from water.
Article
Chemistry, Physical
Lei Wang, Haris Muhammad, Minwang Laipan, Xiaohu Fan, Junkang Guo, Yongtao Li
Summary: In this study, a new water remediation technique using an organic-inorganic composite was developed for the removal of Cr(VI) and Mo(VI). The composite showed high adsorption capacities and efficiency, following the Freundlich and Langmuir isotherm models.
APPLIED CLAY SCIENCE
(2022)
Article
Green & Sustainable Science & Technology
Juan Taumaturgo Medina-Collana, Wilfredo David Sejje Suarez, Noemi Anyosa Caceres, Luis Americo Carrasco Venegas, Pablo Belizario Diaz Bravo, Jorge Amador Lopez Herrera, Juan Herber Grados Gamarra, Jacob Astocondor Villar
Summary: In this study, a calcium alginate bead adsorbent was prepared from brown algae (Macrosystis pyrifera) and used for removing Pb+2, Cu+2, and Sb+3 ions from aqueous solutions. The factors affecting the adsorption process were examined, and the adsorption kinetics and isotherms were studied. The results showed that the calcium alginate beads had good adsorption capacity for Pb2+, Cu2+, and Sb3+, with Langmuir and Freundlich isotherms fitting well. The bioadsorption equipment achieved concentration values of lead and copper ions below the current environmental regulations.
Article
Engineering, Environmental
Shella Permatasari Santoso, Alfin Kurniawan, Artik Elisa Angkawijaya, Hardy Shuwanto, I. D. A. A. Warmadewanthi, Chang -Wei Hsieh, Hsien-Yi Hsu, Felycia Edi Soetaredjo, Suryadi Ismadji, Kuan-Chen Cheng
Summary: This study presents a facile and low-cost approach to fabricate porous calcium alginate composite sponges containing exfoliated bentonite clay for efficient removal of Cu2+ and Cr6+ ions from water. The CRAB sponges exhibited meso- and macropores and showed an endothermic adsorption process. The results demonstrated the potential of CRAB sponges for remediation of water polluted with copper and hexavalent chromium ions.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Jian Liu, Yiren Li, Yiheng Wang, Yanni Wang, Jianming Xu, Xingmei Liu
Summary: Aggregates are important structural units of soils and have a significant impact on metal migration and transformation. This study investigated the adsorption behavior of lead (Pb) and cadmium (Cd) on soil aggregates in both single and competitive systems. The results showed that aggregates with a size of < 2 μm were the primary adsorption sites for Pb and Cd competition in both soils. Further analysis revealed that soil organic matter (SOM) contributed the most to the adsorption of Cd and Pb on aggregates, but the competitive effect occurred on different sites for Cd and Pb adsorption. The presence of Pb also caused the conversion of a portion of soil Cd to unstable species. Therefore, the competitive effect of Pb on Cd adsorption cannot be ignored in soils with high SOM and fine aggregates.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Polymer Science
Jun Zhou, Qianyu Sun
Summary: The low-cost calcium-based bentonite was modified and granulated with surfactants to improve the adsorption efficiency of NOR. The modified composite GOMBt exhibited a lamellar structure with improved pore structure. The adsorption of NOR on GOMBt was found to be an endothermic process and maximum adsorption capacity was obtained under acidic conditions. Dynamic adsorption studies showed that the breakthrough time and bed height were positively correlated, while flow rate, pH, and breakthrough time had a negative correlation. The results indicated that internal and external diffusion were not rate-limiting steps in the dynamic adsorption of NOR on GOMBt.
Review
Environmental Sciences
Avik Kumar Dhar, Humayra Akhter Himu, Maitry Bhattacharjee, Md Golam Mostufa, Fahmida Parvin
Summary: In recent decades, the release of pollutants into aquatic systems from increased industrial, agricultural, and domestic activities has created a need for reliable and environmentally friendly methods of removal. Bentonite clays have emerged as a cost-effective and sustainable solution in wastewater treatment, offering superior properties such as high adsorption capacity and chemical stability.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Environmental Sciences
Yi Zhang, Muhammad Haris, Lei Zhang, Chao Zhang, Ting Wei, Xiang Li, Yuhua Niu, Yongtao Li, Junkang Guo, Xiaojing Li
Summary: A novel amino-modified chitosan/tailings composite (CS-PEI-nGT) was successfully synthesized and characterized in this study. The results showed that the composite had high adsorption capacity for lead and cadmium, as well as selective adsorption capacity. The mechanism of adsorption was also investigated, indicating the important roles of surface functional groups. This work presents a promising strategy for tailings recycling and highly efficient removal of toxic metals ions from wastewater.
Article
Environmental Sciences
Ruohan Zhao, Bing Wang, Pan Wu, Qianwei Feng, Miao Chen, Xueyang Zhang, Shengsen Wang
Summary: Heavy metals pollution in water caused by industrial processes and human activities has become a global concern, highlighting the need for an environmentally friendly and efficient remediation method. In this study, a calcium alginate-nZVI-biochar composite (CANRC) was prepared using calcium alginate entrapment and liquid-phase reduction method to remove Pb2+, Zn2+, and Cd2+ from water. The effects of various factors on the adsorption process were investigated, and the physicochemical properties of CANRC before and after adsorption were characterized using SEM-EDS, XRD, and XPS. Different adsorption models and site energy analysis were used to understand the mechanisms involved. The results showed that CANRC prepared at 300°C and a 5 wt% Fe loading ratio exhibited the highest adsorption capacities for Pb2+, Zn2+, and Cd2+, with surface complexation and precipitation identified as the main adsorption mechanisms. This study provides an alternative approach for the removal of heavy metals from water.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Engineering, Chemical
Peng Zhang, Kui Zou, Li Yuan, Jing Liu, Bingzhi Liu, Tai-Ping Qing, Bo Feng
Summary: Alginate-based hydrogel adsorbents were developed for efficient removal of heavy metals from wastewater. The hydrogel beads prepared by blending bacterial alginate, polyvinyl alcohol, and chitosan exhibited excellent adsorption performance for Pb(II), Cd(II), and Cu(II). The addition of chitosan greatly improved the specific adsorption capacity for Cr(VI), and the hydrogels maintained a high adsorption capacity for heavy metals even after multiple cycles.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Engineering, Environmental
Colin A. Cooke, Jason H. Curtis, William F. Kenney, Paul Drevnick, Peter E. Siegel
Summary: Lead and mercury emissions and deposition have long histories extending into preindustrial times, but the timing, magnitude, and persistence of preindustrial emissions remain unclear. This study uses a well-dated sediment core from Lake Antoine, Grenada to assess the past 3000 years of tropical lead and mercury deposition. The results show that preindustrial increases in lead and mercury concentrations can be explained by variations in mineral and organic matter inputs from the watershed, reflecting climate-driven changes in the lake level. There is no evidence that preindustrial use of lead and mercury raised deposition rates in this remote ecosystem. Industrial-era accumulation rates in Lake Antoine have been accelerated by land use and land cover change within the crater rim, but global industrial pollution is still evident. After correcting for watershed inputs, recent atmospheric deposition rates of lead and mercury are in close agreement with monitoring data, challenging previous assessments that suggested preindustrial use of mercury raised atmospheric deposition rates globally.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Environmental Sciences
Esmaeil Allahkarami, Ebrahim Allahkarami, Amirreza Azadmehr
Summary: The main aim of this research is to synthesize a schist/alginate composite adsorbent for the removal of heavy metals from waste streams. The developed adsorbent shows good adsorption capacity, kinetic fit, and thermodynamic properties. The reusability of the adsorbent is also satisfactory, making it a commercially attractive and green method.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Polymer Science
Tianzhu Shi, Zhengfeng Xie, Xinliang Mo, Yulong Feng, Tao Peng, Dandan Song
Summary: In this study, functionalized sodium alginate hydrogel (FSAH) was prepared for efficient adsorption of heavy metals and dyes. The results showed that FSAH mainly adsorbed heavy metals through physical adsorption, and cationic dyes through hydrogen bonds, electrostatic interactions, and pi-pi interactions. Additionally, FSAH exhibited good adsorption cycle stability.
Article
Engineering, Environmental
Zhuowen Meng, Shuang Huang, Jingwei Wu, Zhongbing Lin
Summary: This study investigated the competitive adsorption and immobilization of cadmium (Cd), nickel (Ni), and copper (Cu) by biochar in unsaturated soils under single-, binary-, and ternary-metal systems. The results showed that the immobilization effects by the soil itself were in the order of Cu > Ni > Cd, and the adsorption capacities of freshly contaminated heavy metals by biochar were in the order of Cd > Ni > Cu in unsaturated soils. The adsorption and immobilization of Cd by biochars in soils was weakened by competition more in the ternary-metal system than that in the binary-metal system; the competition with Cu caused a more significant weakening effect than that with Ni. For Cd and Ni, nonmineral mechanisms preferentially adsorbed and immobilized Cd and Ni compared to mineral mechanisms, but the contributions of the mineral mechanisms to the adsorption gradually increased and became dominant with increasing concentrations (at average percentages of 62.59%-83.30% and 41.38%-74.29%, respectively). However, for Cu, the contributions of the nonmineral mechanisms to Cu adsorption were always dominant (average percentages of 60.92%-74.87%) and gradually increased with increasing concentrations. This study highlighted that the types of heavy metals and coexistence should be focused when remediating heavy metal contamination in soils.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Polymer Science
Tianbiao Wei, Shanqing Huang, Qingyuan Hu, Jue Wang, Zhongzhong Huo, Tongyang Zhu, Chi Wu, Hao Chen
Summary: In this study, a thermoresponsive hybrid hydrogel was synthesized by incorporating a reconstituted lead-binding peptide into the network of poly(N-isopropylacrylamide). The hydrogel showed high selectivity for Pb(II) and could reversibly adsorb and release lead ions. This material has promising applications in environmental remediation.
Review
Chemistry, Physical
Oualid Alioui, Michael Badawi, Alessandro Erto, Mohammed A. Amin, Vineet Tirth, Byong-Hun Jeon, Saiful Islam, Marco Balsamo, Mirella Virginie, Barbara Ernst, Yacine Benguerba
Summary: Density Functional Theory (DFT) simulations play a significant role in gaining insights into the Dry Reforming of Methane (DRM) process and designing appropriate catalytic systems.
CATALYSIS REVIEWS-SCIENCE AND ENGINEERING
(2023)
Article
Engineering, Environmental
Yanan Chen, Zainab Srour, Jawad Ali, Sheng Guo, Sonia Taamalli, Valerie Fevre-Nollet, Katia da Boit Martinello, Jordana Georgin, Dison S. P. Franco, Luis F. O. Silva, Guilherme Luiz Dotto, Alessandro Erto, Florent Louis, Abderrahman El Bakali, Lotfi Sellaoui
Summary: This paper describes the adsorption process of paracetamol (PRC) and ketoprofen (KTP) on activated charcoal derived from the residue of Butia capitate fruit. Characterization of the adsorbent is conducted to analyze the adsorption results and understand the mechanism. Modelling investigations show that the adsorption data can be explained by a double layer model derived from statistical physics. It is found that the adsorption mechanism and the maximum adsorption capacity of KTP and PRC molecules are affected by temperature.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Shella Permatasari Santoso, Alfin Kurniawan, Artik Elisa Angkawijaya, Hardy Shuwanto, I. D. A. A. Warmadewanthi, Chang -Wei Hsieh, Hsien-Yi Hsu, Felycia Edi Soetaredjo, Suryadi Ismadji, Kuan-Chen Cheng
Summary: This study presents a facile and low-cost approach to fabricate porous calcium alginate composite sponges containing exfoliated bentonite clay for efficient removal of Cu2+ and Cr6+ ions from water. The CRAB sponges exhibited meso- and macropores and showed an endothermic adsorption process. The results demonstrated the potential of CRAB sponges for remediation of water polluted with copper and hexavalent chromium ions.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Souad Lahcene, Lamia Trabelsi, Mounir M. Salem-Bekhit, Gamal A. Shazly, Heba Mohammed Refat M. Selim, Soliman Mohammed Alehaidib, Hillal Sebbane, Amine Msela, Yacine Benguerba, Karim Houali
Summary: Leishmaniasis is a deadly infectious disease with limited treatment options. New therapeutic strategies based on active natural products are urgently needed. Our study focuses on the chemical characterization and quantification of polyphenols in Laperrine olive tree extracts and their antileishmania effect. Promising results are obtained, showing the effectiveness of the tested extracts against Leishmania infantum.
CELLULAR AND MOLECULAR BIOLOGY
(2023)
Article
Engineering, Environmental
Muhamad Sharafee Shamsudin, Azam Taufik Mohd Din, Lotfi Sellaoui, Michael Badawi, Adrian Bonilla-Petriciolet, Suzylawati Ismail
Summary: Trace pharmaceutical concentrations in wastewater pose a major threat to the environment and human health. Conventional treatment methods are ineffective in removing these organic pollutants. This study evaluates the use of kaolin modified with cetylpyridinium chloride for diclofenac removal, achieving a high removal rate of 93.53% and adsorption capacity of 392.3 μg/g.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Luana P. Queiroz, Carine M. Rebello, Erbet A. Costa, Vinicius V. Santana, Bruno C. L. Rodrigues, Alirio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira
Summary: In the past decades, the flavor industry has increased its investment in research and development to take innovative steps. However, the lack of information about flavored molecules and specific flavoring properties hinders progress in this sector. This study presents the use of three scientific machine learning techniques as an innovative methodology to design new natural flavor molecules with specific desired properties for product development. The transfer learning technique is utilized to address the lack of available data when analyzing flavor molecules. Nine flavor descriptors were studied, with more than 50% of molecules generated achieving outstanding results in evaluation metrics such as natural product-likeness score and synthetic accessibility score. Finally, a discussion on the results considers data availability, presence in nature, and the impact of multisensory flavor components on specific flavor outcomes.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Engineering, Chemical
Mariana C. N. Bessa, Azahara Luna-Triguero, Jose M. Vicent-Luna, Paulo M. O. C. Carmo, Mihalis N. Tsampas, Ana Mafalda Ribeiro, Aliirio E. Rodrigues, Sofia Calero, Alexandre F. P. Ferreira
Summary: Two industrial dual-step pressure swing adsorption (PSA) processes were designed and simulated to obtain high-purity methane, CO2, and syngas from a gas effluent of a CO2 electroreduction reactor using different design configurations. NaX and MFI zeolites were selected from the investigated set for simulation. Case study 1 achieved 90.5% methane purity with a 95.2% recovery, whereas case study 2 obtained methane with a 97.5% purity and 95.3% recovery. Both case studies produced high-purity CO2 (>97%) and syngas with a H-2/CO ratio above 4. However, case study 2 had a significantly higher energy consumption compared to case study 1 (64.9 vs 29.8 W h mol(CH4) (-1)).
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Materials Science, Biomaterials
Artik Elisa Angkawijaya, Vania Bundjaja, Shella Permatasari Santoso, Alchris Woo Go, Shin-Ping Lin, Kuan-Chen Cheng, Felycia Edi Soetaredjo, Suryadi Ismadji
Summary: Tuberculosis, caused by M. tuberculosis bacteria infection, is a deadly disease. The long-term drug consumption and low patient commitment hinder the success of TB treatment. To overcome these obstacles, biomolecule metal-organic frameworks (BioMOFs) are explored as potential drug carriers. This study successfully synthesized a copper-based BioMOF (Cu-PCA) using a bioactive organic linker and demonstrated its high drug loading capacity and controlled release kinetics. Cu-PCA exhibited antibacterial activity and good biocompatibility.
BIOMATERIALS ADVANCES
(2023)
Review
Food Science & Technology
Luisa Bataglin Avila, Carlos Schnorr, Luis F. O. Silva, Marcilio Machado Morais, Caroline Costa Moraes, Gabriela Silveira da Rosa, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad
Summary: This review paper focuses on the recent trends in multilayer films for food packaging using biopolymers and natural additives. It provides a concise summary of recent developments in the field and discusses the main biopolymers used and methods for multilayer film preparation. The paper also highlights the incorporation of bioactive compounds into the multilayer systems to form active biopolymer food packaging. Furthermore, it discusses the advantages and drawbacks of multilayer packaging development and presents the main trends and challenges in using multilayer systems.
Article
Agricultural Engineering
Eduardo Enrique Merodio-Morales, Didilia Ileana Mendoza-Castillo, Juan Jauregui-Rincon, Adrian Bonilla-Petriciolet
Summary: Functionalized agricultural waste, such as avocado seed, cauliflower stem, and macadamia nut shell, with anchored lanthanum ions on their surfaces were used to effectively remove arsenate and fluoride pollutants from water. The modified biomass samples exhibited endothermic and multi-ionic adsorption mechanisms, with better adsorption properties for fluoride than arsenate. The antimicrobial properties of the lanthanum-modified biomass samples make them promising for long-term water treatment processes.
INDUSTRIAL CROPS AND PRODUCTS
(2023)
Article
Biochemistry & Molecular Biology
Soumeya Khaled-Khodja, Hassen Cheraitia, Karima Rouibah, Hana Ferkous, Gael Durand, Semia Cherif, Gamal A. El-Hiti, Krishna Kumar Yadav, Alessandro Erto, Yacine Benguerba
Summary: In this study, the contamination of persistent organic pollutants (POPs) in Annaba Bay, Algeria, was investigated using multivariate analysis. The results showed that the main sources of PCB emissions in the bay are urban/domestic and agricultural/industrial. This research provides a potential procedure and methodological analysis for future case studies.
Article
Chemistry, Multidisciplinary
Brahim Samir, Nabil Bouazizi, Patrick Nkuigue Fotsing, Julie Cosme, Veronique Marquis, Guilherme Luiz Dotto, Franck Le Derf, Julien Vieillard
Summary: In this research, the removal of pharmaceutical contaminants AT and PR using modified activated carbon in a liquid solution was studied. Both adsorption and photodegradation methods were used, with 92% and 94% removal rates achieved, respectively. The modified AC-OH showed good stability and recyclability, making it suitable for industrial wastewater treatment. The results recommend adsorption as a promising and eco-friendly method.
APPLIED SCIENCES-BASEL
(2023)
Article
Environmental Sciences
Juliana M. Gasparotto, Diana Pinto, Natalie de Paula, Manoel Maraschin, Dison S. P. Franco, Elvis Carissimi, Edson L. Foletto, Sergio L. Jahn, Luis F. O. Silva, Guilherme L. Dotto
Summary: In this study, activated alumina impregnated with Fe-Al-La composite was used for fluoride removal from water for the first time. The optimal conditions were found to be pH 6.5 and adsorbent dosage of 3.0 g L-1. Langmuir isotherm was employed to describe the adsorption process, and a maximum adsorption capacity of 8.17 mg g(-1) at 298 K and pH 6.5 was achieved. The adsorption process was found to be homogeneous and monolayer. The prepared adsorbent showed better fluoride removal performance compared to granular activated alumina, increasing the adsorption capacity from 16% to 42% under the same conditions. Additionally, the adsorbent exhibited great selectivity towards fluoride and minimal influence from co-existing ions Cl-, SO42- and NO3-.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
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
Environmental Sciences
Luana Rabelo Hollanda, Joyce Azevedo Bezerra de Souza, Edson Luiz Foletto, Guilherme Luiz Dotto, Osvaldo Chiavone-Filho
Summary: In this study, coal bottom ash was tested as a potential Fenton catalyst for the degradation of phenol in water. The results showed good degradation efficiency and stability, indicating the promising application of bottom ash in the Fenton reaction for phenol degradation.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
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)
