Article
Chemistry, Applied
Wenfei Xiong, Ya Li, Cong Ren, Jing Li, Bin Li, Fang Geng
Summary: Investigating the thermodynamic parameters in the formation process of protein-polysaccharide complex coacervates is crucial for understanding the binding mechanism. pH, salt ion strength, and temperature were found to influence the thermodynamic parameters of gelatin (G)-pectin (P) complex coacervation. The binding between G and P involves electrostatic bonding, hydrogen bonding, and hydrophobic interactions.
FOOD HYDROCOLLOIDS
(2021)
Article
Biochemistry & Molecular Biology
Sami-ullah Rather, Md. Habibur Rahman, Hisham S. Bamufleh, Hesham Alhumade, Aqeel Ahmad Taimoor, Usman Saeed, Aliyu Adebayo Sulaimon, Walid M. Alalayah, Azmi Mohd Shariff, Md Anamul Hoque
Summary: The polymer-surfactant mixture is widely used in various industries, particularly in the production of everyday materials. This study investigates the micellization and phase separation nature of sodium dodecyl sulfate (SDS) and TX-100 in combination with a synthetic water-soluble polymer, polyvinyl alcohol (PVA), using conductivity and cloud point measurement tools. The results show that the critical micelle concentration (CMC) values of the SDS + PVA mixture are influenced by the type and amount of additives, as well as temperature variations. The cloud point values of the TX 100 + PVA mixture decrease or increase, depending on the electrolyte used. The free energy changes of micellization and clouding are found to be negative and positive, respectively. Additionally, the enthalpy and entropy changes are examined and the enthalpy-entropy compensation is assessed.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Osman Uner, Nihat Akkurt
Summary: The micellization behaviors of n-decyl-4-methylpyridinium bromide, n-dodecyl-4-methylpyridinium bromide, and n-tetradecyl-4-methylpyridinium bromide were studied in water and mixed water-ethanol media. The critical micelle concentrations (CMC) of these compounds increased with increasing temperature, but decreased with increasing hydrocarbon chain length. In addition, the addition of ethanol resulted in lower CMC values.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Magdalena Szaniawska, Katarzyna Szymczyk, Anna Zdziennicka, Bronislaw Janczuk
Summary: To increase the solubility of berberine in water, surfactants such as ELP and RH40 can be added. The composition of the surface layers and micelles of berberine with ELP and RH40 can reflect the increase in solubility. Gibbs energy and other thermodynamic properties were determined to analyze the interactions between berberine and surfactants.
Article
Chemistry, Physical
Uttam Thapa, Mukul Kumar, Riya Chaudhary, Vaishali Singh, Sandeepika Singh, Anirudh Srivastava
Summary: This study utilized TC as an organic counterion and found that it can improve the excipient properties of the medication formulation. Additionally, research showed that AOT micelles had a stronger interaction with TC than SDS micelles, suggesting that TC could enhance the micellization of surfactants.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Md Anamul Hoque, Shamim Mahbub, Mohammed Delwar Hossain, Mohammed Abdullah Khan, Javed Masood Khan, Ajamaluddin Malik, Anwar Ahmed, Mohammad Z. Ahmed
Summary: This study investigated the interaction of a drug with surfactants in body fluid ingredients medium using conductivity and UV-visible spectroscopic techniques. The addition of NaCl was found to promote micellization of the systems and the critical micelle concentration was influenced by experimental temperature. The binding between the drug and surfactants was thermodynamically spontaneous, with an increase in binding constant observed with higher drug concentration and temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Review
Chemistry, Physical
Tao Chen, Tianxing Da, Yan Ma
Summary: This article highlights the ambiguity in calculating adsorption equilibrium constants and thermodynamic parameters, emphasizing the importance of using dimensionless standard equilibrium constants and the influence of standard state selection on the values of ΔG(θ), ΔH-θ, and ΔS-θ. Various methods for calculating equilibrium constants for different isotherm models are provided.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Environmental Sciences
Tatiani Brenelli Lima, Maria Estela Silva-Stenico, Marli F. Fiore, Augusto Etchegaray
Summary: This study demonstrated that surfactants, particularly CTAB and SDA, could effectively inhibit the growth of Microcystis aeruginosa and successfully remove microcystins from water.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Agriculture, Multidisciplinary
Rui Gao, Shangqing Cui, HaoRan Xu, Qingming Kong, Zhongbin Su, Jinlong Li
Summary: This study develops a clustering algorithm for corn population point clouds to accurately extract the three-dimensional morphology of individual crops. The improved QuickShift method was used to segment the corn point cloud data, achieving the automated measurement of plant height and stem thickness with high accuracy.
COMPUTERS AND ELECTRONICS IN AGRICULTURE
(2023)
Article
Chemistry, Physical
Vikrant Abbot, Poonam Sharma
Summary: This research involves thermodynamic, acoustic, and spectroscopic analysis of the interactions between rutin trihydrate and cationic surfactant CTAB. By calculating various thermodynamic and acoustic parameters, the study reveals the nature of interactions and flow properties between the two compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Polymer Science
Tomohisa Watanabe, Yubo Wang, Tomoko Ono, Satoru Chimura, Takuya Isono, Kenji Tajima, Toshifumi Satoh, Shin-ichiro Sato, Daichi Ida, Takuya Yamamoto
Summary: The topology effects of cyclization on thermal phase transition behaviors were investigated for amphiphilic Pluronic copolymers. It was found that the effect of cyclization on cloud point and critical temperature depended on the block sequence.
Article
Chemistry, Physical
Ishrat Fatma, Vivek Sharma, Praveen Kumar Sharma, Plinio Cantero-Lopez, Humira Assad, Julio Sanchez, Melissa Alegria-Arcos, Osvaldo Yanez, Ramesh Chand Thakur, Ashish Kumar
Summary: A combined experimental and molecular modeling study was conducted to investigate the effect of Ethyl lactate on the self-aggregation behavior of NLSS and BC. The micellization phenomenon of both surfactants was found to be repressed with increasing concentration of Ethyl lactate. The CMC values were determined using electrical conductivity measurements, and the thermodynamic factors were analyzed by considering the temperature dependence of CMC values. The results showed that the CMC values of both surfactants increased with co-solvent concentration, indicating a destabilizing effect of Ethyl lactate on micelle formation.
Article
Chemistry, Physical
Mukul Kumar, Vaishali Singh, Riya Choudhary, Debojit Kumar Deb, Sandeepika Singh, Anirudh Srivastava
Summary: This study focused on using the amphiphilic drug CPM to optimize the encapsulation and binding of poorly water-soluble IBF, as well as to make mixed micelles. The results showed that increasing the alpha value of CPM can improve drug binding and encapsulation efficiency. Molecular docking study indicated that IBF binds more easily in the CPM-AOT mixture due to electrostatic interaction.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Physical
Anirudh Srivastava, Mukul Kumar, Debojit Kumar Deb, Faizi Muzaffar, Sandeepika Singh
Summary: This study demonstrates the improvement of sodium dodecylbenzene sulfonate (SDBS) micellization by using amphiphilic antihistamine medications (diphenhydramine hydrochloride (DPC) and cetirizine hydrochloride (CTZ)). The critical micelle concentration (CMC) of SDBS in aqueous media was significantly lowered by DPC/CTZ. The electrostatic interaction between the medication and the surfactants was found to control the ion occupancy and drug solubilization, suggesting the potential application of this formulation in multi-drug delivery systems in the pharmaceutical industry.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Katarzyna Szymczyk, Anna Taraba, Anna Zdziennicka, Bronislaw Janczuk
Summary: The adsorption and volumetric properties of TX114, T80, Q, and Ru were studied at different temperatures. The adsorption isotherms of nonionic surfactants and flavonoids mixtures were analyzed based on surface tension isotherms and thermodynamic parameters. Different methods for determining the composition of mixed surface layers were shown. The behavior of surfactants and flavonoids in the presence and absence of alcohol was analyzed in relation to micelle formations and molar volumes.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Sharmin Sultana, Malik Abdul Rub, Marzia Rahman, Shahed Rana, Mohammad Majibur Rahman, Md Anamul Hoque, Yousef G. Alghamdi, Abdullah M. Asiri
Summary: In this study, the aggregation behaviors of PVA and TTAB in alcohols/diols media were investigated using conductivity measurements. The physico-chemical parameters and thermodynamic properties were determined. The results showed that the CMC values varied in different solvents, indicating the significant influence of solvents on the micelle formation of TTAB + PVA mixture. It was also found that PVA molecules interacted exclusively with TTAB through hydrogen bonding, ion-dipole, and hydrophobic interactions.
JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Md. Anamul Hoque, Mohammad Idrish Ali, Malik Abdul Rub, Marzia Rahman, Shahed Rana, Mohammad Majibur Rahman, Dileep Kumar, Naved Azum, Abdullah M. Asiri, Mohammed Abdullah Khan
Summary: In this study, the association behavior of bovine serum albumin (BSA) and cetyl-trimethylammonium bromide (CTAB) was investigated using the conductivity method. The association phenomenon was detected by changes in conductivity and various physico-chemical properties. The interaction between BSA and CTAB was influenced by temperature and hydration extent. The binding interactions were believed to involve H-bonding, ion-dipole, and hydrophobic interactions.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Naved Azum, Maha Moteb Alotaibi, Maroof Ali, Malik Abdul Rub, Hadi M. Marwani, Khalid A. Alamry, Abdullah M. Asiri
Summary: The current study investigated the influence of an ionic liquid and cationic surfactant on the physicochemical properties of an anaesthetic drug, tetracaine hydrochloride (TCH). Tensiometric and absorption spectroscopic methods were used to analyze the interaction between TCH and the ionic liquid (1-hexadecyl-3-methyl imidazolium chloride, SAIL) and cationic surfactant (cetylpyridinium chloride, CPC). The results showed that TCH exhibited a higher synergistic interaction with SAIL compared to CPC, which was confirmed by UV-visible spectroscopy and the binding constant value.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Review
Polymer Science
Guravtar Singh Mann, Naved Azum, Anish Khan, Malik Abdul Rub, Md Imtaiyaz Hassan, Kisa Fatima, Abdullah M. Asiri
Summary: Global climate change has already caused various environmental effects and led to a shift in focus towards sustainable materials. Green composites, which combine renewable fibers with polymers, offer a wide range of applications and superior features compared to conventional materials.
Article
Chemistry, Physical
Aftab Aslam Parwaz Khan, Sonu, Anita Sudhaik, Pankaj Raizada, Anish Khan, Malik Abdul Rub, Naved Azum, Maha M. Alotaibi, Pardeep Singh, Abdullah M. Asiri
Summary: This work successfully describes the S-scheme-based hydrothermal synthesis of SiO2@CuFe2O4-AgI composites. The nanocomposites with different weight percentages of AgI were tested for their photocatalytic activity in the visible range using methylene blue (MB) and methyl orange (MO) as target pollutants. SiO2@CuFe2O4-AgI with a 15% AgI loading showed superior photocatalytic performance, degrading both MB and MO significantly faster compared to pure and hybrid composites. The increased surface area, efficient separation of photogenerated carriers, and high redox capacity of SiO2@CuFe2O4-AgI (15%) contributed to its enhanced photocatalytic activity. The hybrid composite also exhibited excellent stability and reusability after 10 cycles. This research proposes a novel and cost-efficient approach for creating stable semiconductor-based photocatalytic systems and paves the way for future applications.
CATALYSIS COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Elyasa Mustafa Elfaki, Hassan H. Alhassan, Mehnaz Kamal, Maher M. Al-Enazi, Malik Abdul Rub, Abdullah M. Asiri, Maroof Ali, Hadi M. Marwani, Salem Hussain Alharethi, Maha Moteb Alotaibi, Naved Azum
Summary: Tyrosine-protein kinase CSK, also known as C-terminal Src kinase (CSK), plays important roles in regulating diverse cellular processes and pathways, including cell growth, differentiation, migration, and immune responses. Aberrant expression of CSK has been associated with various diseases, such as cancer and autoimmune disorders. This study conducted a structure-based virtual screening of phytochemicals to identify potential CSK inhibitors. Two hits (Shinpterocarpin and Justicidin B) were selected based on their druglike properties and binding affinity towards CSK. Molecular dynamics simulations further confirmed their potential as selective CSK inhibitors.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Malik Abdul Rub, Farah Khan, Naved Azum, Hadi M. Marwani, Abdullah M. Asiri, Khalid A. Alamry
Summary: In this study, the impact of cationic surfactant DMDEABr on the micellization of PMH was investigated using surface tensions, UV, and FT-IR methods. Synergistic behavior between DMDEABr and PMH was observed in all media. The presence of fructose and NaCl affected the cmc of PMH + DMDEABr. Interaction parameters showed attractive synergy between PMH and DMDEABr. The findings have implications for drug delivery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Md. Tuhinur R. Joy, Md Al Amin Hossain, Most Johura Khatun, Malik Abdul Rub, Md. Delowar Hossain, Naved Azum, K. M. Anis-Ul-Haque, Suman C. Mohanta, Md. Anamul Hoque, Abdullah M. Asiri, Shariff E. Kabir
Summary: The interaction between dodecyltrimethylammonium bromide (DTAB) and crystal violet (CV) was studied in aqueous solutions of short chain alcohols (ethanol, 1-propanol) and urea using the conductometric method. The critical micelle concentration (CMC), counter ion binding (p), and thermodynamics parameters (AG0m, AS0m, and AH0m) were determined for the DTAB + CV system. The CMC values increased with the concentration of alcohols and urea as well as with temperature. The micellization process was found to be thermodynamically spontaneous, with hydrophobic and electrostatic interactions playing a significant role in the interaction between DTAB and CV.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Naved Azum, Sulaiman Y. M. Alfaifi, Malik Abdul Rub, Abdullah M. Asiri
Summary: The synergistic interaction between surface-active ionic liquid and pluronic/non-ionic surfactant has been investigated, and it was found that the mixed system has significantly lower critical micelle concentration values compared to pure amphiphiles due to the strong attractive interaction between components. The mole fractions of the components and interaction parameter were determined using regular solution theory, and thermodynamic parameters were calculated. UV-visible spectroscopy confirmed the positive interaction between the ionic liquid and non-ionic surfactants.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
M. Alfakeer, Malik Abdul Rub, Naved Azum, Hadi M. Marwani, Abdullah M. Asiri, Khalid A. Alamry, Md. Anamul Hoque
Summary: The micellization properties of promethazine hydrochloride (PMT) with TX-165 in different solutions were analyzed using surface tension measurements and UV-visible spectroscopy. The results suggest that TX-165 could be a promising drug delivery vehicle for phenothiazine drugs, as it showed interaction with PMT and spontaneous micellization behavior.
Article
Polymer Science
Aftab Aslam Parwaz Khan, Mallikarjunagouda B. Patil, Laxmibai P. Rathod, Shivalila G. Vader, Pankaj Raizada, Pardeep Singh, Maha M. Alotaibi, Mohammad Omaish Ansari, Anish Khan, Naved Azum, Malik Abdul Rub, Muhammad Nadeem Arshad, Abdullah M. Asiri
Summary: The study assessed the potential of nanocomposite membranes (NCMs) made of sodium alginate and embedded with synthesized zeolitic imidazole framework-8 (ZIF-8) as fillers for separating gaseous mixtures generated by methane reforming. ZIF-8 crystals were synthesized through hydrothermal synthesis, with sizes ranging from 50 to 70 nm. NCMs with 15% filler loading (synthesized ZIF-8) outperformed neat polymer membranes in terms of H-2 permeability and selectivity, achieving a purity of up to 95%. However, NCMs did not perform better than neat polymer membranes in separating gas mixtures. The combination of ZIF-8 and sodium alginate as fillers is a new and worth investigating.
Article
Chemistry, Physical
Malik Abdul Rub, Naved Azum, Sulaiman Y. M. Alfaifi, Md Minhas Hossain Sakib, Md Ackas Ali, Shamim Mahbub, Mohammad A. Halim, Md. Anamul Hoque, Abdullah M. Asiri
Summary: The mixed micellization behavior of the antidepressant drug amitriptyline hydrochloride (AMT) and the nonionic surfactant triton X-165 (TX-165) was thoroughly investigated using various techniques. The interaction between AMT and TX-165 was found to be influenced by different solvents, with the interaction being more pronounced in NaCl solvent compared to aqueous and urea solutions. The formation of mixed micelles of AMT + TX-165 was found to be spontaneous and thermodynamically favorable. Molecular dynamics simulation confirmed the interactions between AMT and TX-165, providing a basis for the development of a drug delivery system.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Naved Azum, Maroof Ali
Summary: The research focus is on modifying the physicochemical properties of ionic liquids using green co-solvents and characterizing them at the molecular level using spectroscopic techniques. The addition of polyethylene glycols (PEGs) to the IL 2-hydroxyethyl ammonium formate (HEF) alters its solvent properties in a positive way. The solvatochromic absorbance probes reveal interesting non-ideal behavior in the absorbance of Reichardt dye 33, which can be attributed to the high dipolarity/polarizability and hydrogen bond donor ability of the HEF + PEG mixtures.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
M. Alfakeer, Malik Abdul Rub, Naved Azum, Anish Khan, Hadi M. M. Marwani, Khalid A. A. Alamry, Abdullah M. M. Asiri
Summary: An experiment was conducted to investigate the interactions of promethazine hydrochloride (PMT) with TX-165 at the interface in different ratios and solvents. Thorough FTIR spectroscopy was used to study the pure and mixed systems in aqueous solution. The study suggested that TX-165 surfactant could be used as an effective antidepressant drug delivery agent.
Article
Biotechnology & Applied Microbiology
Salem Hussain Alharethi, Tahseen Kamal, Bandar Alharbi, Hassan H. Alhassan, Mohammed Ageeli Hakami, Bader Saud Alotaibi, Malik Abdul Rub, Hadi M. Marwani, Khalid A. Alamry, Abdullah M. Asiri, Naved Azum
Summary: This study examined single amino acid substitutions in STAT6 to identify deleterious variants and their structural and functional impairments. The results suggest that these mutations may have detrimental effects on the solubility and stability of STAT6, potentially leading to aggregation, disrupted helices, and altered strand propensity.
OMICS-A JOURNAL OF INTEGRATIVE BIOLOGY
(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)