Article
Biochemistry & Molecular Biology
Giovanna De Simone, Federico Sebastiani, Giulietta Smulevich, Massimo Coletta, Paolo Ascenzi
Summary: This study reports the spectroscopic characterization of ferric Danio rerio Nb (Dr-Nb(III)) and its ability to scavenge NO. The results show that Dr-Nb(III) can reversibly bind to NO and undergo conversion under alkaline conditions. The rate constant for the reductive nitrosylation of Dr-Nb(III) is not linearly dependent on the NO concentration but tends to level off. Furthermore, the reductive nitrosylation of Dr-Nb(III) is limited by OH-based catalysis. The study also reveals that the reductive nitrosylation of Dr-Nb(III) leads to the inactivation of two NO molecules.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Engineering, Environmental
Rui Gomes Nascimento, Marjorie Castro Pinto Porfirio, Priscilla Amaral Nascimento, Annie Nolasco Alves, Leandro Soares Santos, Cristiane Martins Veloso, Renata Cristina Ferreira Bonomo, Rafael da Costa Ilheu Fontan
Summary: A novel approach using aniline immobilization was used to develop a polyacrylamide cryogel matrix for hydrophobic interaction chromatography. The functionalization process was successful, resulting in an increase in hydrophobicity and a decrease in swelling capacity. The adsorption of bovine serum albumin on the matrix was evaluated, and the results showed a high adsorbing capacity under specific conditions.
JOURNAL OF POLYMERS AND THE ENVIRONMENT
(2022)
Article
Chemistry, Analytical
Meijuan Hou, Yiqiong Zhang, Haixia Yu, Yuhang Yang, Hongfen Zhang, Guangbin Zhang, Anjia Chen
Summary: A hydrophobic interaction electrokinetic chromatography method was developed for simultaneous separation and determination of three diterpenoids in Euphorbia lathyris L. The method was novel, simple, and rapid, with excellent accuracy and precision, demonstrating applicability for quality control analysis of active ingredients.
JOURNAL OF SEPARATION SCIENCE
(2021)
Review
Instruments & Instrumentation
Mokhtar M. Mabrouk, Nouran A. Hamed, Fotouh R. Mansour
Summary: This review discusses various spectroscopic techniques and methods used for determination of critical micelle concentration (CMC). These methods include direct and indirect UV/VIS Spectroscopy, direct and indirect spectrofluorometric methods, as well as other spectroscopic methods such as X-ray diffraction, nuclear magnetic resonance spectroscopy, and small-angle neutron scattering. Each method is characterized by its principle, applications, advantages, and limitations.
APPLIED SPECTROSCOPY REVIEWS
(2023)
Article
Plant Sciences
Huayu Sun, Sining Wang, Kebin Yang, Chenglei Zhu, Yan Liu, Zhimin Gao
Summary: This article describes a new DNA-protein interaction technology that uses two visible reporter genes to detect the interaction between transcription factors and DNA elements. The technology offers a convenient, visible, and cost-saving alternative to other existing techniques for DNA-protein interaction in plants.
Article
Polymer Science
Qiang Hu, Wenqing Wang, Tianyi Ma, Chudan Zhang, Jun Kuang, Rui Wang
Summary: Inspired by living radical polymerization (LRP), surface-initiated LPR technology has great potential in controlling and tailoring polymer coatings. In this study, a surface-initiated photoinduced electron transfer-reversible addition-fragmentation chain transfer polymerization (SI-PET-RAFT) method was used to fabricate polymeric brushes with anti-UV and hydrophobic properties on flame retardant polyester fabrics (FRPET). The results showed that this method achieved controlled growth of polymeric brushes on the fabric surface, resulting in improved anti-UV, flame retardant, and hydrophobic properties.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Multidisciplinary Sciences
Sadia Hanif, Amnah Yusaf, Muhammad Usman, Asim Mansha, Muhammad Saeed
Summary: The study investigates the most suitable micellar media for solubilization of the organic dye Allura Red (AR), utilizing anionic surfactant SDS and a mixed micellar solution of SDS and cationic surfactant CTAB. Partition coefficients and Gibbs free energy changes were used to determine the optimal surfactant composition, while thermodynamic parameters were calculated from specific conductivity data. The presence of different concentrations of CTAB was observed to determine the most suitable concentration for enhancing solubilizing capacity of the SDS solution.
JOURNAL OF TAIBAH UNIVERSITY FOR SCIENCE
(2021)
Article
Biochemistry & Molecular Biology
Safikur Rahman, Sana Iram, Md Tabish Rehman, Afzal Hussain, Arif Tasleem Jan, Jihoe Kim
Summary: This study investigates the interaction between the sodium channel blocker amiloride and human serum albumin. The results show that amiloride specifically binds to a specific site on HSA and the complex is stabilized by van der Waals hydrogen-bonding and hydrophobic interactions. FRET analysis demonstrates that the distance between amiloride and Trp214 is crucial for efficient quenching. UV-Vis spectroscopy and circular dichroism indicate minor structural changes in HSA after binding. Molecular dynamics simulations provide further evidence of stable HSA-AML complex formation.
Review
Chemistry, Multidisciplinary
Peter Stange, Sergey P. Verevkin, Ralf Ludwig
Summary: Ionic liquids (ILs) are a type of fluid that has unique properties and can be customized for specific applications. Understanding the behavior of ILs on a microscopic scale is crucial for explaining macroscopic fluid phenomena and promoting potential applications. Through a combination of experimental and theoretical methods, it is now possible to study hydrogen bonding, dispersion effects, and their competition in detail. This allows for the detection, analysis, and quantification of noncovalent interactions in complex systems such as ILs. By utilizing spectroscopic, thermodynamic, and theoretical techniques, the relative contributions of Coulomb interactions, hydrogen bonding, and dispersion forces in ILs can be analyzed and quantified.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Physical
Kangyi Zhang, Qingyu Wen, Tianqi Li, Qinghao Liu, Yufei Wang, Jihong Huang
Summary: This research shows that the interaction between chlorogenic acid and luteolin with glutenin and gliadin has significant impacts on their structure and antioxidant activity. Chlorogenic acid causes disorder in the structure, while luteolin makes the structure more compact.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Alexander S. Goloveshkin, Natalia D. Lenenko, Alexander V. Naumkin, Alexandre S. Golub
Summary: This study presents a simple method for immobilizing the antiseptic drug miramistin (MR) between molybdenum disulfide sheets. Two hybrid layered compounds (LCs) with different thicknesses of organic layers were prepared and analyzed. The obtained structural models revealed the noncovalent interaction network of MR molecules confined in the two-dimensional spacing surrounded by sulfide sheets. The results provide a comprehensive understanding of the assembly of MR and MoS2 and may contribute to the development of novel photothermal therapeutic agents.
Article
Chemistry, Physical
J. Rozamliana, Jackson Gurung, Ajmal Koya Pulikkal
Summary: Conductometric and spectroscopic methods were used to investigate the interactions between cationic surfactants and anionic dyes in an aqueous solution. The study found that the critical micelle concentration increased with temperature and decreased with a higher number of carbon atoms in the hydrophobic group of surfactants. The presence of the dye led to a higher degree of ionization of the surfactant micelles. The micellization process was determined to be spontaneous and exothermic, with entropy gain playing a crucial role. UV-Visible spectra showed a higher binding affinity between a specific surfactant and the dye. Increasing surfactant concentrations attracted a larger amount of dye molecules into the micelles.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Bhupendra Pratap Singh, Samiksha Sikarwar, Shivangi Tripathi, Shikha Agarwal, Meeta Sah, Rajiv Manohar, Kamal Kumar Pandey
Summary: This study examines the dispersion of gold nanoparticles in an azoxybenzene-based nematic liquid crystal. The experiment shows that as the concentration of gold nanoparticles increases, the transition temperature from the nematic phase to the isotropic phase decreases significantly. Additionally, there is an increase in ultraviolet-visible absorption and photoluminescence intensity with the suitable amount of gold nanoparticles dispersion.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Environmental Sciences
Zheng Fang, Yurong Gao, Fangbin Zhang, Kaipeng Zhu, Zihan Shen, Haixia Liang, Yue Xie, Chenglong Yu, Yanping Bao, Bo Feng, Nanthi Bolan, Hailong Wang
Summary: Biochar prepared from garden pruning waste can effectively adsorb and remove BPS pollutants. By improving the π-π interaction of biochar through high pyrolysis temperature, the adsorption capacity can be increased, achieving the goals of cost-efficiency, easy availability, and carbon-negative nature.
ENVIRONMENTAL POLLUTION
(2022)
Article
Chemistry, Medicinal
Rosita Cappai, Guido Crisponi, Daniele Sanna, Valeria Ugone, Andrea Melchior, Eugenio Garribba, Massimiliano Peana, Maria Antonietta Zoroddu, Valeria Marina Nurchi
Summary: The hydroxypyrone derivatives have good chelating properties with the oxidovanadium(IV) cation, leading to the development of potentially new insulin-mimetic and anticancer compounds. The kojic acid derivatives L4 and L9 form 1:1 binuclear complexes with the (VO2+)-O-IV ion in solution, providing a basis for the design of pharmacologically active vanadium species.
Article
Biochemistry & Molecular Biology
Fekade Beshah Tessema, Yilma Hunde Gonfa, Tilahun Belayneh Asfaw, Tigist Getachew Tadesse, Mesfin Getachew Tadesse, Archana Bachheti, Devi Prasad Pandey, Saikh M. M. Wabaidur, Kholood A. A. Dahlous, Ivan Siric, Pankaj Kumar, Vinod Kumar, Sami Abou Fayssal, Rakesh Kumar Bachheti
Summary: This study identified the flavonoids and phenolic acids in the aerial part of A. integrifolia that are responsible for the therapeutic effects against shigellosis and diarrhea. The aerial part showed significant antibacterial activity against Shigella spp. The identified compounds, including flavonoids (quercetin, myricetin, and rutin) and phenolic acids (gallic acid, chlorogenic acid, and syringic acid), contribute to the observed therapeutic effects and antibacterial activity.
Article
Materials Science, Composites
Abdul Mateen, Mohd Zahid Ansari, Iftikhar Hussain, Sayed M. Eldin, Munirah D. Albaqami, Aboud Ahmed A. Bahajjaj, Muhammad Sufyan Javed, Kui-Qing Peng
Summary: Zn-ion supercapacitors (ZISCs) have potential for energy storage applications due to their natural resources, eco-friendly nature, and safety. However, improvement in cathode materials is needed. This study assembles ZISC using zinc metal anode and MXene-A cathode, which shows high capacitance retention, Coulombic efficiency, and energy density.
COMPOSITES COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Md. Nazrul Islam, Malik Abdul Rub, Maha Moteb Alotaibi, Md. Tuhinur R. Joy, Israt Jahan, Shamim Mahbub, Shahed Rana, Dileep Kumar, M. Alfakeer, Abdullah M. Asiri, Md. Anamul Hoque, Shariff E. Kabir
Summary: Here, the interactions between cetylpyridinium chloride (CPC) and ceftriaxone sodium (CTS) were investigated using conductivity technique. The study assessed the impacts of additive nature, temperature change, and concentration variation on the micellization of CPC + CTS mixture. The analysis revealed that the CMC values increased with the increase in CTS concentration and varied with the type of additive used.
Article
Chemistry, Physical
Md. Rehan Alam, Md. Rafikul Islam, Javed Masood Khan, Ummey Rayhan, Shahed Rana, Dileep Kumar, Anis Ahmad, Md. Anamul Hoque, Shariff E. Kabir
Summary: The study focuses on the phase separation of a mixture of TX-100 and LFH in electrolyte solutions and its potential applications in the pharmaceutical industry. The cloud point temperature of the mixture in different sodium salts solutions was investigated. It was found that the presence of electrolytes decreases the cloud point temperature, with sulfate ion (SO42-) having the most significant effect. The phase separation process of TX-100 and LFH system was determined to be nonspontaneous.
COLLOID AND POLYMER SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Y. G. El-Baz, A. Moustafa, M. A. Ali, G. E. El-Desoky, S. M. Wabaidur, M. M. Faisal
Summary: This study used cinnamon bark extract for the green synthesis of cinnamon-Ag nanoparticles (CNPs) and evaluated their antioxidant and anti-cancer properties. The CNPs showed higher antioxidant activity and anti-proliferative potency compared to other cinnamon samples. They also induced apoptosis in cancer cells and increased the activity of antioxidant enzymes. The findings demonstrate the potential of CNPs as effective anti-cancer nanomaterials.
Article
Chemistry, Multidisciplinary
Moonis Ali Khan, Ayoub Abdullah Alqadami, Saikh Mohammad Wabaidur, Byong-Hun Jeon
Summary: The study proposes a technique to utilize municipal solid wastes, polythene (PE) and sugarcane bagasse (SB), for water decolorization. The development of an activated SBPEAC composite showed improved adsorption efficiency compared to the SBPE composite. The adsorption mechanism involved electrostatic interaction, H-bonding, and pi-pi/n-pi interactions.
Article
Multidisciplinary Sciences
Yousef G. Alghamdi, Malik Abdul Rub, Dileep Kumar
Summary: The influence of double-headed gemini was investigated on the reaction between the amino acid methionine and ninhydrin in CH3COOH-CH3COONa buffer solvent. The surfactant-like effect was observed and explained by a pseudo-phase model of micelles. The impact of temperature, pH, and concentration of ninhydrin and methionine on the reaction was also studied. The CMC of gemini surfactants and the surfactant system with methionine and ninhydrin was evaluated and other parameters such as rates and binding constants were calculated.
ROYAL SOCIETY OPEN SCIENCE
(2023)
Article
Energy & Fuels
Iqra Ashraf, Qasim Abbas, Yaqin Huang, Najam Ul Hassan, Munirah D. Albaqami, Ammar Mohamed Tighezza, Sayed M. Eldin, Muhammad Sufyan Javed, Awais Ahmad, Rafael Luque
Summary: This study presents a new approach for developing zinc-ion hybrid supercapacitors by using vanadium-doped manganese oxide aerogel structured cathode material. The doped material expands interlayer distance, creates more active sites and channels for fast ionic diffusion, and offers good structural stability. The as-fabricated ZIHC shows high specific capacitance, capacitance retention, and Coulombic efficiency, as well as superior energy density compared to previous reports.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Plant Sciences
Hasan Sardar, Zubair Khalid, Muhammad Ahsan, Safina Naz, Aamir Nawaz, Riaz Ahmad, Kashif Razzaq, Saikh M. Wabaidur, Cedric Jacquard, Ivan Siric, Pankaj Kumar, Sami Abou Fayssal
Summary: Salt stress negatively affects the growth, development, and yield of horticultural crops. The exogenous application of sodium nitroprusside (SNP) helps mitigate the negative effects of salt stress on lettuce.
Article
Chemistry, Analytical
Kanthappa Bhimaraya, Jamballi G. Manjunatha, Karnayana P. Moulya, Ammar M. Tighezza, Munirah D. Albaqami, Mika Sillanpaa
Summary: The electrochemically polymerized glycine layered carbon paste electrode (EPGNLCPE) was used as an easy and rapid analytical tool for the analysis of levofloxacin (LN). The EPGNLCPE sensor, compared to the bare carbon paste electrode (BCPE), showed improved surface features and activities. Under optimized conditions, the differential pulse voltammetry method using EPGNLCPE exhibited good linearity, low limit of detection, and low limit of quantification for the analysis of LN. Real-time application of the sensor showed good recovery of LN in medicinal samples.
Article
Multidisciplinary Sciences
N. Hareesha, J. G. Manjunatha, Ammar M. Tighezza, Munirah D. Albaqami, Mika Sillanpaa
Summary: In this research, a low-cost, simple, and green carbon nanotube paste electrode activated with electropolymerized riboflavin (PRF) was successfully used for the selective and sensitive detection of catechol (CT) in the presence of resorcinol (RS) in 0.2 M phosphate buffer solution. The PRF-activated electrode showed improved electrochemical properties compared to a bare carbon nanotube paste electrode (BCNTPE), including increased electrochemical current and decreased electrochemical potential, resulting in outstanding sensitivity, stability, selectivity, reproducibility, and repeatability for the redox feature of CT. The CT concentrations were quantified using cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methods, with detection and quantification limits of 0.025 mu M and 0.085 mu M (CV method) and 0.0039 mu M and 0.0132 mu M (DPV method), respectively. The prepared PRFMCNTPE material showed promising results for real-time detection of CT in environmentally important tap water samples.
Article
Chemistry, Multidisciplinary
Md. Rafiul Islam Rony, Javed Masood Khan, Md. Rafikul Islam, K. M. Khairul Alam, Dileep Kumar, Anis Ahmad, Shahed Rana, Md. Anamul Hoque
Summary: This study thoroughly investigated the phase partitioning of Triton X-100 and ceftriaxone sodium trihydrate drug mixture in aqueous solutions of sodium salts. The effect of different sodium salts on the cloudy creation of the mixture was explored, and it was found that the interaction between Triton X-100 and ceftriaxone sodium trihydrate is mainly electrostatic and hydrophobic.
Article
Chemistry, Physical
Mihalj Posa, Ajaya Bhattarai, Javed Masood Khan, Bidyut Saha, Dileep Kumar
Summary: The rates of the title reaction were measured in a double-headed micellar medium using UV-vis single beam spectroscopy. Gemini surfactants showed higher rate constants compared to CTAB, following first- and fractional-order paths in the reactions of Leu and ninhydrin, respectively. The impact of double-headed geminis on the reaction was explained and a pseudo-phase model of micellar activity was employed to interpret the observation.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Green & Sustainable Science & Technology
S. Minisha, J. Johnson, Saikh Mohammad Wabaidur, Jeetendra Kumar Gupta, Sikandar Aftab, Masoom Raza Siddiqui, Wen-Cheng Lai
Summary: This study focused on the synthesis and characterization of Fe-doped NiO nanoparticles. The results showed that the prepared nanoparticles had a face-centered cubic structure and polycrystalline nature. The bandgap energy of the nanoparticles decreased with the increasing concentration of Fe dopant. The Fe-doped NiO nanoparticles exhibited high photocatalytic efficiency in degrading the dye Rh-B.
Article
Chemistry, Multidisciplinary
Olivera Vukovic, Giulia Folpini, E. Laine Wong, Luca Leoncino, Giancarlo Terraneo, Munirah D. Albaqami, Annamaria Petrozza, Daniele Cortecchia
Summary: This study investigates the size-dependent optoelectronic properties of CsPbI3 nanocrystals through temperature and pressure modulation. It is found that larger particles exhibit increased non-radiative losses and weaker exciton-phonon coupling, leading to decreased luminescence efficiency. Furthermore, a solid-solid phase transition from the gamma-phase to the delta-phase is observed in the nanocrystals, with the optical response strongly dependent on the size of the nanocrystals.
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)