Article
Engineering, Environmental
Vanessa Rosana Ribeiro, Hector David Delgado Osorio, Amanda Canterle Ulrich, Tiele Medianeira Rizzetti, Andrea Sanchez Barrios, Rosana de Cassia de Souza Schneider, Lisianne Brittes Benitez
Summary: The study evaluated the bioremediation and bioelectricity production of synthetic wastewater in a microalgaemicrobial fuel cell system. The results showed that the combination of Escherichia coli and Desmodesmus subspicatus was most effective in bioelectricity generation.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Engineering, Environmental
Ali Nawaz, Ikram ul Haq, Kinza Qaisar, Burcu Gunes, Saleha Ibadat Raja, Khola Mohyuddin, Haseeb Amin
Summary: This article introduces the role of microbial fuel cells in sustainable and viable electrical energy production, as well as its potential in wastewater treatment and bioelectricity production. The article also discusses the limitations of the technology and proposes possible ways to address its drawbacks.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2022)
Article
Agricultural Engineering
Mengni Tao, Yu Kong, Zhaoqian Jing, Qiusheng Jia, Zhengkai Tao, Yu-You Li
Summary: The microbial fuel cell-constructed wetland (MFC-CW) is effective for nitrogen removal in carbon constraint wastewater treatment. Wetland plants contribute to denitrification, and the bioenergy output is linearly related to influent COD. Key functional genera play a crucial role in nitrogen removal.
BIORESOURCE TECHNOLOGY
(2022)
Article
Energy & Fuels
Boobalan Thulasinathan, James Obeth Ebenezer, Abhispa Bora, Arumugam Nagarajan, Arivalagan Pugazhendhi, Tamilmani Jayabalan, Samsudeen Nainamohamed, Mukesh Doble, Arun Alagarsamy
Summary: The study utilized a coculture system of Serratia marcescens and Klebsiella pneumoniae in an MFC system to treat wastewater, with biofilm-produced proteins and carbohydrates effectively achieving a chemical oxygen demand removal rate of around 70.42%.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Energy & Fuels
Boobalan Thulasinathan, Tamilmani Jayabalan, Nagarajan Arumugam, Woong Kim, Ponnuchamy Kumar, Muthusamy Govarthanan, Arun Alagarsamy, Mohan Rasu Kulanthaisamy
Summary: Microbial fuel cells (MFCs) use biodegradable matter in waste resources to produce green carbon-neutral bioenergy. MFC technology involves the multidisciplinary application of various fields, and the substrate plays a crucial role in MFC performance. Industrial wastewater with a higher level of organic matter has been found to be beneficial for harvesting green electricity in MFCs. Challenges and future prospects in energy recovery from effluents utilized in MFCs have been observed with technological advancements.
Article
Engineering, Environmental
Ibrahim M. Abu-Reesh, Ansaruddin Kunju, Surajbhan Sevda
Summary: This study investigates the performance of microbial fuel cell (MFC) in treating petroleum refinery wastewater (PRW), and finds that MFC has promising COD removal efficiency and electricity generation capability in continuous mode of operation.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Green & Sustainable Science & Technology
AbubakarMuh'd Sani, Nishit Savla, Soumya Pandit, Abhilasha Singh Mathuriya, Piyush K. Gupta, Namita Khanna, Rishi Pramod Babu, Sachin Kumar
Summary: The emergence of renewable energy technologies provides a significant advantage in converting organic wastes to bioenergy. Lignocellulosic biomass is considered to be a rich source of energy that can be utilized by microbial consortia to generate electricity in a microbial fuel cell.
SUSTAINABLE ENERGY TECHNOLOGIES AND ASSESSMENTS
(2021)
Article
Environmental Sciences
Shentan Liu, Zuo Wang, Xiaojuan Feng, Sang-Hyun Pyo
Summary: An innovative design of MER coupled with IAF-PMFC was developed for azo dye wastewater treatment and electricity generation. The sequential degradation of azo dye and the feasibility of energy self-sufficiency were assessed. The combined system achieved high decolorization efficiency and COD removal, even at high dye concentration. The MER/IAF-PMFC technology can simultaneously realize refractory wastewater treatment and balance of electricity production and consumption.
ENVIRONMENTAL RESEARCH
(2023)
Article
Agricultural Engineering
Tatiana Kuleshova, Ankit Rao, Sudipa Bhadra, Vijay Kumar Garlapati, Swati Sharma, Anubha Kaushik, Pranab Goswami, T. R. Sreekirshnan, Surajbhan Sevda
Summary: This review discusses the concept and features of plant-microbial fuel cells (pMFCs) as a bioelectrochemical system that generates bioelectricity and treats wastewater. It highlights the role of electroactive bacteria as a catalytic machinery and the utilization of rhizodeposits for bioelectricity production. The review provides a detailed description of pMFC characteristics, such as the function of plants and their rhizodeposits, electrical characteristics, and microbial community capable of electrogenesis. It also presents common pMFC designs and their potential applications in wireless energy-neutral sensing and agriculture.
BIOMASS & BIOENERGY
(2022)
Article
Energy & Fuels
Chyi-How Lay, Yi-Chi Deng, Chia-Min Chang
Summary: The study found that adding a 120 mT repulsive magnetic field to microbial fuel cells can significantly increase power output and current density, as well as improve coulombic efficiency. Taxonomy profiling results showed that dominant microorganisms were Geobacter and Pseudomonas. External magnetic fields enhance electron transfer efficiency through extracellular pathways, improving overall performance of the microbial fuel cells.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Agricultural Engineering
Kidakarn Nookwam, Benjamas Cheirsilp, Wageeporn Maneechote, Piyarat Boonsawang, Chontisa Sukkasem
Summary: This study aimed to develop efficient microbial fuel cells for integrated bioelectricity, biodiesel feedstock production, and wastewater treatment. The MFC fed with anaerobic digester effluent from the rubber industry showed the highest power density and simultaneous removal of COD, nitrogen, and phosphorus. By optimizing organic loading rate and incorporating photosynthetic oleaginous microalgae in the cathodic chamber, power density was significantly improved, wastewater was treated sequentially, and high lipid content microalgal biomass was produced. These strategies contribute to sustainable development in bioenergy generation and environmental protection.
BIORESOURCE TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Segundo Rojas-Flores, Magaly De la Cruz-Noriega, Santiago M. Benites, Daniel Delfin-Narciso, Angelats-Silva Luis, Felix Diaz, Cabanillas-Chirinos Luis, Gallozzo Cardenas Moises
Summary: The research aims to observe the influence of different percentages of sucrose on bioelectricity generation from papaya waste using microbial fuel cells (MFCs). The results showed that the cell with 20% sucrose generated higher voltage and current peaks on day fifteen. The internal resistance values of all the cells were also influenced by the increase in sucrose.
Article
Green & Sustainable Science & Technology
Chi-Wen Lin, Chi-Yung Lai, Shu-Hui Liu, Yu-Rong Chen, Lidia Kristia Alfanti
Summary: Planting white rot fungi on the cathode of a ceramic microbial fuel cell can significantly enhance the removal of copper from wastewater and improve the power output of the cell.
JOURNAL OF CLEANER PRODUCTION
(2021)
Review
Agricultural Engineering
Rangabhashiyam Selvasembian, Joyabrata Mal, Radha Rani, Rupika Sinha, Roma Agrahari, Ighalo Joshua, Arockiasamy Santhiagu, Nirakar Pradhan
Summary: This review article discusses the potential applications of microbial fuel cells in decarbonizing electricity generation and treating industrial effluents, as well as the challenges and future directions.
BIORESOURCE TECHNOLOGY
(2022)
Article
Energy & Fuels
Asif Nadeem Tabish, Iqra Farhat, Muneeb Irshad, Muhammad Asif Hussain, Muhammad Usman, Tariq Nawaz Chaudhary, Yasser Fouad, Sohaib Raza, Waqar Muhammad Ashraf, Jaroslaw Krzywanski
Summary: Microbial fuel cell (MFC) technology is considered a practical alternative to traditional activated sludge technique in treating domestic and industrial effluents. However, the focus of existing literature has been on developing MFC systems and materials for maximum power output, with insufficient understanding of the fundamental electrochemical characteristics. This experimental study investigates the limitations of the electrochemical process and the potential of bioelectricity generation and dairy effluent treatment using a double-chamber MFC. The results show significant reduction in chemical oxygen demand (COD) and demonstrate the highest open circuit voltage and maximum power density achieved during the study period.
Article
Chemistry, Physical
Md. Munjur Hasan, Khadiza Tul Kubra, Md. Nazmul Hasan, Mrs Eti Awual, Md. Shad Salman, Md. Chanmiya Sheikh, Ariyan Islam Rehan, Adiba Islam Rasee, R. M. Waliullah, Md. Shahinoor Islam, Shahjalal Khandaker, Aminul Islam, Mohammed Sohrab Hossain, Abdulmohsen K. D. Alsukaibi, Hamed M. Alshammari, Md. Rabiul Awual
Summary: The chemical ligand BSBAE was embedded indirectly on mesoporous silica to fabricate optical composite materials (OCM) for detecting and removing toxic cadmium (Cd(II)) ions from wastewater solutions. The OCM demonstrated high sensitivity and selectivity towards Cd(II) ions in acidic pH conditions (pH 3.50) and showed distinguishable color changes upon the addition of trace levels of Cd(II) ions. Other metal ions did not significantly affect the performance of the OCM, which had a detection limit of 0.32 μg/L and a maximum adsorption capacity of 179.65 mg/g for Cd(II) ions. Cd(II) ions could be successfully desorbed from the saturated OCM using 0.25 M HCl, and the regenerated OCM maintained its selectivity and adsorption capacity. However, the adsorption efficiency slightly decreased after multiple cycles. Therefore, the OCM offers a cost-effective and viable alternative for detecting and removing toxic Cd(II) ions from wastewater.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Md. Shad Salman, Md. Chanmiya Sheikh, Md. Munjur Hasan, Md. Nazmul Hasan, Khadiza Tul Kubra, Ariyan Islam Rehan, Mrs Eti Awual, Adiba Islam Rasee, R. M. Waliullah, Mohammed Sohrab Hossain, Md. Abdul Khaleque, Abdulmohsen K. D. Alsukaibi, Hamed M. Alshammari, Md. Rabiul Awual
Summary: This study focuses on the use of chitosan-treated cotton composite material for the removal of toxic dyes in contaminated water. The results reveal that the chitosan-cotton composite has a high adsorption capacity and can efficiently remove dyes, achieving a decolorization effect.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Khadiza Tul Kubra, Md. Munjur Hasan, Md. Nazmul Hasan, Md. Shad Salman, Md. Abdul Khaleque, Md. Chanmiya Sheikh, Ariyan Islam Rehan, Adiba Islam Rasee, R. M. Waliullah, Mrs Eti Awual, Mohammed Sohrab Hossain, Abdulmohsen K. D. Alsukaibi, Hamed M. Alshammari, Md. Rabiul Awual
Summary: The synthesis of the organic ligand EBMS and its immobilization onto mesoporous silica led to the successful fabrication of a composite adsorbent (FCA) for the separation, adsorption, and recovery of Tm(III) ions. The FCA displayed high kinetic performance and was unaffected by competing metal ions. The adsorption behavior of Tm(III) ions on FCA followed the Langmuir adsorption isotherm model with a maximum adsorption capacity of 168.57 mg/g. The FCA showed strong selectivity and potential for the effective separation and recovery of Tm(III) ions from waste samples.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Md. Shad Salman, Md. Nazmul Hasan, Md. Munjur Hasan, Khadiza Tul Kubra, Md. Chanmiya Sheikh, Ariyan Islam Rehan, R. M. Waliullah, Adiba Islam Rasee, Mrs Eti Awual, Mohammed Sohrab Hossain, Abdulmohsen K. D. Alsukaibi, Hamed M. Alshammari, Md. Rabiul Awual
Summary: In this study, a functional organic ligand, 4-tert-Octyl-4-((phenyl)diazenyl)phenol (TPDP), was directly immobilized onto mesoporous silica to fabricate a composite adsorbent for the detection and removal of toxic copper (Cu(II)) ions from contaminated water. The composite adsorbent showed high sensitivity and selectivity towards Cu(II) ions, with a limit of detection of 0.28 μg/L. The adsorbent exhibited a high adsorption capacity, with a maximum adsorption capacity of 184.73 mg/g. The Cu(II) ions could be eluted and the adsorbent could be regenerated for reuse. This ligand-based composite adsorbent offers a low-cost and efficient method for the detection and removal of Cu(II) ions in real waste sample treatment.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Md Nazmul Hasan, Md Shad Salman, Md Munjur Hasan, Khadiza Tul Kubra, Md Chanmiya Sheikh, Ariyan Islam Rehan, Adiba Islam Rasee, Mrs Eti Awual, R. M. Waliullah, Mohammed Sohrab Hossain, Aminul Islam, Shahjalal Khandaker, Abdulmohsen K. D. Alsukaibi, Hamed M. Alshammari, Md Rabiul Awual
Summary: Organic ligand-based sustainable composite hybrid material (CMHs) was synthesized for the sensitive and selective adsorption of Lu(III) from waste samples. The adsorption of Lu(III) was influenced by solution pH, with slightly acidic conditions chosen for optimal separation and adsorption. Other metal ions did not interfere with Lu(III) adsorption due to the high affinity of Lu(III) to CMHs. The CMHs exhibited a high adsorption capacity and the adsorbed Lu(III) ions were easily eluted for regeneration.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Environmental Sciences
Musfekur Rahman Dihan, S. M. Abu Nayeem, Hridoy Roy, Md. Shahinoor Islam, Aminul Islam, Abdulmohsen K. D. Alsukaibi, Md. Rabiul Awual
Summary: COVID-19 has accelerated the generation of healthcare waste worldwide, with developing countries being the most affected due to poor management systems. Bangladesh has experienced increasing medical waste generation and needs to implement life cycle assessment and circular economy concepts for effective waste management. However, inadequate data and research are barriers to establishing an efficient medical waste management system.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Environmental Sciences
H. M. Rasel, Md Abdullah Al Mamun, Arif Hasnat, Shamiul Alam, Iqbal Hossain, Ripon Kumar Mondal, Ryan Z. Good, Abdulmohsen K. D. Alsukaibi, Md. Rabiul Awual
Summary: This study investigated the geospatial pattern and critical zone of groundwater level in Chapainawabganj District of the Barind Tract in Bangladesh, and predicted future groundwater levels. Kriging and time series analysis were used to examine the geographic pattern and variations of groundwater, and to make future projections. The study identified critical zones and recharge locations, and provided predictions and potential recommendations for future groundwater levels.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Physical
Md. Munjur Hasan, Md. Shad Salman, Ariyan Islam Rehan, Mrs Eti Awual, Adiba Islam Rasee, R. M. Waliullah, Mohammed Sohrab Hossain, Khadiza Tul Kubra, Md. Chanmiya Sheikh, Md. Abdul Khaleque, Hadi M. Marwani, Aminul Islam, Md. Rabiul Awual
Summary: In order to protect water quality and human health, a chemical ligand-based conjugate adsorbent was prepared for the selective and sensitive monitoring and removal of toxic lead (Pb(II)) ions from contaminated water. The solution pH played a vital role in both monitoring and removal operations, and pH 3.50 was found to be suitable for simultaneous monitoring and removal of Pb(II) ions.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Thermodynamics
Aminul Islam, Siow Hwa Teo, Md. Tarekul Islam, Easteak Ahamed, Md. Shahinoor Islam, Abdulkareem Ghassan Alsultan, Hadi M. Marwani, Mohammed M. Rahman, Abdullah M. Asiri, Yun Hin Taufiq-Yap, Md. Rabiul Awual
Summary: Renewable energy sources provide more reliable and resilient alternatives to traditional sources, and biodiesel, derived from renewable resources, has a significantly lower carbon footprint. The study focused on efficient biodiesel production using visible light-irradiated Si/MgO heterojunctions and showed that Si/MgO photocatalyst exhibited superior activity. The work provided valuable insights into efficient plasmonic photocatalysis, paving the way for future advancements in high-performance photocatalysts.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Chemistry, Physical
R. M. Waliullah, Ariyan Islam Rehan, Mrs Eti Awual, Adiba Islam Rasee, Md. Chanmiya Sheikh, Md. Shad Salman, Mohammed Sohrab Hossain, Md. Munjur Hasan, Khadiza Tul Kubra, Md. Nazmul Hasan, Hadi M. Marwani, Aminul Islam, Mohammed M. Rahman, Md. Abdul Khaleque, Md. Rabiul Awual
Summary: In this study, chitosan-treated nanocomposite was used as an effective adsorbent to remove methyl orange dye from contaminated water. The introduction of chitosan improved the adsorption capacity and rate effectively, and the nanocomposite adsorbent exhibited high reusability. Therefore, chitosan-based fibrous nanocomposite adsorbent is expected to become one of the best candidate materials for future industrial wastewater treatment.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Review
Engineering, Chemical
Tanzim Ur Rahman, Hridoy Roy, Athkia Fariha, Afrina Zaman Shoronika, Md. Rashid Al-Mamun, Syed Z. Islam, Md. Shahinoor Islam, Hadi M. Marwani, Aminul Islam, Abdulmohsen K. D. Alsukaibi, Mohammed M. Rahman, Md. Rabiul
Summary: In recent years, research on solar energy-driven photocatalysis materials has gained significant attention due to their potential in addressing the global energy and environmental crisis. However, many semiconductor photocatalysts have a wide band gap, limiting their ability to absorb visible light. Incorporating dopants through plasma-based doping is a highly efficient approach to reduce the band gap and enhance visible light absorption. Plasma-based doping offers advantages such as high reactivity, simplicity, scalability, energy efficiency, homogeneous doping, and flexibility in gas and liquid phase operations. This review discusses recent advancements in plasma-doped semiconductor photocatalysts, their fundamental mechanisms, and their performance in energy and environmental applications.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Chemical
Md. Rabiul Awual, Md. Nazmul Hasan, Md. Munjur Hasan, Md. Shad Salman, Md Chanmiya Sheikh, Khadiza Tul Kubra, Md. Shahinoor Islam, Hadi M. Marwani, Aminul Islam, Md. Abdul Khaleque, R. M. Waliullah, Mohammed Sohrab Hossain, Adiba Islam Rasee, Ariyan Islam Rehan, Mrs Eti Awual
Summary: The hybrid donor chemical ligand of THTB was embedded onto inorganic porous silica as HCM for the adsorption and recovery of Eu(III) ions. The adsorption mechanism was described using surface complexation, and the adsorption performance was evaluated under various experimental conditions. The HCM exhibited a high affinity for Eu(III) ions due to the coordination of O-, N-, and S-donor atoms of THTB. The Langmuir adsorption isotherm model was applied to validate the adsorption isotherms, and the adsorption capacity of the HCM was determined to be 176.31 mg/g. The adsorbed Eu(III) ions were effectively eluted from HCM with 0.20 M HNO3 eluent, and the HCM could be regenerated without deterioration. This study has significant applicative utility for the green technology of Eu(III) ion recovery from waste aqueous solutions.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Jiheng Ding, Hao Wang, Hongran Zhao, Mohammad Raza Miah, Jinggang Wang, Jin Zhu
Summary: Ordered MXene/epoxy composite (OMC) coatings demonstrate exceptional anticorrosion performance through a reasonable interface strategy, where the ordered interfacial structure synergistically enhances coating compactness and maximizes the infiltration paths of aggressive species.
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)
