Article
Chemistry, Physical
Xiangli Liu, Amin Aghamohammadi, Kamyar Afarinkia, Raymond J. Abraham, William E. Acree, Michael H. Abraham
Summary: Literature solubilities, NMR, and IR studies have been used to characterize the properties of edaravone. It has been found that edaravone exists in solution partly as the OH and NH forms due to significant hydrogen bond acidity, while the keto form dominates in nonpolar solvents. The physicochemical properties of the keto form can be calculated, including solubilities in nonpolar solvents and partition coefficients in different phases.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Chiuyen Phan, Jie Shen, Kaxi Yu, Jiyong Liu, Guping Tang
Summary: Sorafenib and its salts were prepared to improve solubility, and the distinct roles of water molecules in stabilizing crystal structures were investigated. The crystal structures of sorafenib hydrochloride monohydrate and sorafenib hydrobromide monohydrate were found to be isomorphous, with similar unit cell dimensions. The tabletability and solubility of these salts were shown to be improved compared to the free drug.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Pharmacology & Pharmacy
Xiangli Liu, William E. Acree, Michael H. Abraham
Summary: Abraham model solute descriptors have been determined for various substances based on published partition coefficients, molar solubilities, and gas chromatographic retention indices. These descriptors, combined with previously published correlations, are used to predict important physicochemical and biological properties.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Chemistry, Applied
Jingfang Li, Jun Nie, Xiaoqun Zhu
Summary: The newly synthesized photoinitiator and hydrogen bond complex demonstrate high photoreactivity and dispersibility in visible light polymerization, making them potentially useful for photo-induced organic coatings.
PROGRESS IN ORGANIC COATINGS
(2021)
Article
Chemistry, Multidisciplinary
Michael K. Bellas, Adam J. Matzger
Summary: Cocrystallization is a synthetic method that improves functional materials while preserving the inherent properties of molecules/ions involved. However, there is currently no general approach for salt cocrystallization. This study presents a specific approach for ammonium salts and applies it to achieve a melt-castable energetic material with the energetic oxidizing salt ammonium dinitramide.
Article
Chemistry, Physical
Gowtham Kenguva, Lopamudra Giri, Smruti Rekha Rout, Achyuta Nanda Acharya, Rambabu Dandela
Summary: Panobinostat (PNB) is a medication used for multiple myeloma treatment. Several solid forms of PNB with improved physicochemical properties have been produced using mechanochemistry and solution crystallisation techniques. The solubility of the PNB variants was found to be significantly higher than that of the parent medication, particularly PNB.MA which exhibited a 73-fold increase in solubility. These molecular adducts demonstrated stability at pH 6.8 and transformed into PNB.Cl salt at pH 1.2.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Xiangli Liu, Michael H. Abraham, William E. Acree
Summary: By using literature values for the solubility of vitamin K3 in organic solvents, Abraham descriptors for vitamin K3 were obtained. When combined with established equations, these descriptors can predict important properties of vitamin K3, such as vapor pressure, heat of sublimation, and various partitions in different phases.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Shih-Hao Yu, Chun-Chao Chang, Fu-Der Mai, Chih-Ping Yang, Yu-Chuan Liu
Summary: Liquid water is widely used in physical processes and chemical reactions as an environmentally friendly polar solvent. Plasmon-activated water (PAW) created in 2014, utilizing hot electron transfer from gold nanoparticles, shows enhanced stability and solubility when combined with alcohols and hydrophobic solutes. The innovative PAW demonstrates increased solubilities and densities in various solutions compared to traditional deionized water systems, making it a promising green solvent for both hydrophilic and hydrophobic solutions.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Yang Lu, Mingming Sun, Ning Xi
Summary: F-19-NMR signals are sensitive to local electrostatic fields and can be used to probe protein structures and dynamics. This study explores the relationship between F-19 NMR chemical shifts and local environments using chemically identical ortho-F nuclei in N-phenyl gamma-lactams. The findings reveal the typical relationships in bonding interactions and reverse correlations in nonbonding contacts. Quantum mechanics calculations provide insights into the orbital delocalization and polarization of the ortho-F nuclei. These findings are valuable for designing sensitive probes, elucidating molecular structures, and quantifying analytes.
Article
Multidisciplinary Sciences
Jintao Meng, Peng Chen, Mohamed Wahib, Mingjun Yang, Liangzhen Zheng, Yanjie Wei, Shengzhong Feng, Wei Liu
Summary: Intrinsic solubility, a crucial property in the pharmaceutical industry, has a significant impact on the bioavailability of small molecule drugs. However, the prediction of solubility using Artificial Intelligence (AI) is hindered by inadequate data, poor data quality, and the lack of unified measurements for AI and physics-based approaches. This study collects and curates 7 aqueous solubility datasets, resulting in improved predictions using expanded deep learning methods. In addition, the performance comparison between the enhanced Chemprop with curated data and state-of-the-art physics-based approach demonstrates similar correlation coefficients and increasing accuracy with larger datasets. Furthermore, the computational advantage of AI models allows for quick evaluation of a large set of molecules during the drug discovery stage, aiding in timely decision-making.
Article
Chemistry, Physical
Yingying Cao, Zhixing Wu, Ying Zhang, Yanrong Liu, Hui Wang
Summary: This study developed a method for screening ILs with high solvation capability for artemisinin, showing that artemisinin mainly interacts with ILs through hydrogen bonds. Experimental results demonstrated that better extraction efficiency can be achieved using the optimal IL, further verifying the accuracy of the simulation results.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Jose Manuel Guevara-Vela, Miguel Gallegos, Monica A. Valentin-Rodriguez, Aurora Costales, Tomas Rocha-Rinza, Angel Martin Pendas
Summary: This article evaluates the strength of RAHB by investigating the impact of substituents and the relationship between formation energy and hydrogen bond interaction energy. The study shows that substituents' effects on RAHB depend on their position within the molecular structure, casting doubts on the use of different parameters as indicators.
Article
Chemistry, Multidisciplinary
Shubham Deolka, Ramadoss Govindarajan, Serhii Vasylevskyi, Michael C. Roy, Julia R. Khusnutdinova, Eugene Khaskin
Summary: We describe a ligand-free Ni-catalyzed perfluoroalkylation method for heteroarenes, producing a diverse range of trifluoromethyl, pentafluoroethyl, and heptafluoropropyl adducts. Catalysis occurs via a radical pathway at room temperature. The simplicity of the catalytic protocol and its wide scope demonstrate its potential for late-stage functionalization of drug analogues and peptides.
Article
Chemistry, Applied
Ruizhe Wang, Xinyu Wang, Shuai Mao, Yahao Zhao, Bo Yuan, Xue-Yan Yang, Jianjun Li, Zhengkai Chen
Summary: A light-mediated C-Se bond coupling reaction between aryl halides and diselenides has been achieved under mild and photocatalyst-free conditions, resulting in the synthesis of aryl selenoethers. The transformation offers readily available materials, mild reaction conditions, a broad substrate scope, and high efficiency. A plausible mechanism has been proposed based on the initial mechanistic investigation, and the protocol is also applicable for forging C-S and C-Te bonds using disulfides and ditellurides.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Biochemistry & Molecular Biology
Pascal Pigeon, Feten Najlaoui, Michael James McGlinchey, Juan Sanz Garcia, Gerard Jaouen, Stephane Gibaud
Summary: This study aimed to determine the most suitable cyclodextrins (CDs) for solubilizing a patented succinimido-ferrociphenol compound (SuccFerr) with powerful anticancer activity but low water solubility. Phase solubility experiments and computational modeling were conducted on various CDs. The modeling and experiments suggest that supramolecular assemblies of SuccFerr with two CDs, particularly randomly methylated β-cyclodextrins (RAME-β-CDs), are predominant and superior. Additionally, the modeling reveals competing combinations of inserted moieties of SuccFerr and the contribution of ferrocene to high stabilization through atypical hydrogen bonding with CD hydroxyl groups.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Pharmacology & Pharmacy
Samineh Mohammadzadeh Abachi, Homa Rezaei, Maryam Khoubnasabjafari, Vahid Jouyban-Gharamaleki, Elaheh Rahimpour, Abolghasem Jouyban
Summary: This study aimed to provide a rapid colorimetric method for monitoring the concentration of aspirin in exhaled breath condensate (EBC). The analysis of aspirin was validated using a redox reaction catalyzed by nanoparticles. The proposed method shows a linear relationship with aspirin concentration in the range of 10-250 mg.L-1 with high reliability and fast response time.
PHARMACEUTICAL SCIENCES
(2023)
Article
Pharmacology & Pharmacy
Parisa Jafari, Elaheh Rahimpour, Abolghasem Jouyban
Summary: In order to determine the optimal solvent amounts for a specific application, it is important to obtain useful information about the equilibrium solubility of suitable neat or mixed solvents and drugs in them. It has been found that the low solubility of drugs such as bosentan in water has negative effects on the dissolution kinetics in vitro and in vivo, impacting its bioavailability and posing challenges in designing liquid formulations.
PHARMACEUTICAL SCIENCES
(2023)
Article
Chemistry, Physical
Parisa Jafari, Mohammad Barzegar-Jalali, Abolghasem Jouyban
Summary: The molar solubility of caffeine in PEGDME 250 + water mixtures was determined, and the crystal forms of caffeine in equilibrium with the solvents were analyzed. The results provided insights into the dissolution behavior of caffeine, and various models were used to predict its solubility.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2023)
Article
Chemistry, Analytical
Zahra Karimzadeh, Afshin Gharekhani, Elaheh Rahimpour, Abolghasem Jouyban
Summary: A synchronous fluorescence spectroscopy (SFS) sensor for pethidine detection was developed using UiO-66 metal-organic frameworks (MOFs) modified with N-doped carbon quantum dots (N-CQDs) embedded in hydrogel nanocomposites. N-CQDs were successfully deposited in the pores of the UiO-66 network and used as a sensitive segment. UiO-66 was employed for sensing the bonding interactions between N-CQDs and pethidine, resulting in quenching the SFS intensity of UiO-66. The nanocomposite hydrogel showed two well-resolved emission peaks corresponding to N-CQDs and UiO-66 and was used for ratiometric detection of pethidine with a low limit of detection.
Article
Chemistry, Physical
Hadi Foroughi, Elaheh Rahimpour, Mehri Kouhkan, Anahita Fathi Azarbayjani, Abolghasem Jouyban
Summary: This study examines the solubility of atorvastatin calcium (ATC) in ethanol and water mixtures, and studies the impact of different concentrations of Tween 80 and benzalkonium chloride (BAC) on the drug's solubility in aqueous ethanol mixtures. ATC has the highest solubility in ethanol + water mixtures with a ratio of w(1) = 0.7 ethanol. The addition of a surfactant alters the drug's solubility profile based on the type and concentration of the surfactant. XRD and DSC results indicate that a high concentration of BAC may lead to the formation of ATC solvate, affecting the drug's melting point and solubility. The type and concentration of surfactant influence the morphology, nucleation, and growth of drug crystals. A high concentration of BAC accelerates crystal habits and its relative growth rate, while Tween 80 slows down the growth rate.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2023)
Article
Chemistry, Physical
Maryam Ariaeinia, Elaheh Rahimpour, Shahla Mirzaeei, Anahita Fathi Azarbayjani, Abolghasem Jouyban
Summary: Cosolvency is a widely used method to improve drug solubility, and this study aimed to determine the solubility of atorvastatin calcium (ATC) in different solvent mixtures. The apparent thermodynamic properties of ATC dissolution process were calculated, and the solubility of ATC in various concentrations of different surfactants was explored. Sodium lauryl sulphate (SLS) was found to be the most effective in dissolving the drug, while Tween 20 did not show any improvement. Benzalkonium chloride may decrease the drug solubility due to the formation of insoluble salt with ATC anion. The cosolvency data were analyzed using Jouyban-Acree and Jouyban-Acree-van't Hoff equations.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2023)
Article
Multidisciplinary Sciences
Homa Rezaei, Elaheh Rahimpour, Fleming Martinez, Abolghasem Jouyban
Summary: This investigation studied the thermodynamic properties, saturated solubility values, and solvation behavior of deferiprone as an oral iron chelator agent in non-aqueous mixtures of propylene glycol and 2-propanol. The solubility of deferiprone showed a positive correlation with temperature and propylene glycol mass fraction. Mathematical models were used to correlate the solid-liquid equilibrium data, and the computed data showed good agreement with the experimental data with low mean relative deviation values. The thermodynamic behavior of deferiprone dissolution was also investigated using van't Hoff and Gibbs equation.
Article
Multidisciplinary Sciences
Zahra Karimzadeh, Elaheh Rahimpour, Abolghasem Jouyban
Summary: A double solvent-assisted approach was used to prepare AuNPs@UiO-66 based polyvinyl alcohol hydrogel nanocomposite, which was evaluated as a nanoprobe for detecting morphine. The characterization and morphology of the platform were studied, and the performance of morphine detection was compared with a previously reported scaffold. The encapsulation of AuNPs inside UiO-66 in the double solvent-assisted approach prevented energy transfer and hindered the binding of morphine with AuNPs.
Article
Chemistry, Physical
Abolghasem Jouyban, William E. Acree Jr
Summary: The experimental solubility data of glimepiride in different solvents and solvent mixtures were re-evaluated to meet the practical needs of the pharmaceutical industry. Trained models were used to predict the solubility data based on a minimum number of known data points. The accuracy of the prediction tools was satisfactory.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Abolghasem Jouyban
Summary: A globally trained equation is proposed for calculating drug solubility in mono-solvents at different temperatures. The equation extends the van't Hoff model and includes input variables of Abraham, Hansen, Catalan, and Laurence parameters. The accuracy of the equation is studied by comparing the calculated and experimental values, showing its applicability in process design computations in the pharmaceutical industry.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Editorial Material
Chemistry, Physical
Abolghasem Jouyban, William E. Acree Jr
Summary: The experimental solubility data of sulfanilamide in binary solvent mixtures at temperatures ranging from 278.15 to 318.15 K were reanalyzed, and some additional recommendations were discussed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Analytical
Mahsa Javan, Behrouz Seyfinejad, Elaheh Rahimpour, Vahid Jouyban-Gharamaleki, Raha Kaviani, Ali Shayanfar, Mojtaba Varshochi, Maryam Khoubnasabjafari, Abolghasem Jouyban
Summary: Breath analysis is an effective method for monitoring systemic or respiratory ailments. This study proposes a simple chiral capillary electrophoresis method for quantifying enantiomers of ofloxacin in exhaled breath condensate using an online field-amplified sample injection stacking method. The method has been validated and proven to be specific for routine analysis of ofloxacin's enantiomers. It offers a convenient and reliable way to monitor the levels of ofloxacin's enantiomers in patients' breath samples.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Physical
Atefeh Sheikhi-Sovari, Elaheh Rahimpour, Hongkun Zhao, Abolghasem Jouyban
Summary: The solubility of lamotrigine was investigated in non-aqueous mixed solvents and correlated using five mathematical models. The results showed that the solubility of lamotrigine increased with increasing propylene glycol content, reaching its maximum at 313.2 K with a propylene glycol mass fraction of 0.7.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2023)
Article
Multidisciplinary Sciences
Zahra Golsanamlu, Jafar Soleymani, Afshin Gharekhani, Abolghasem Jouyban
Summary: A colorimetric platform using silver nanoparticles has been developed for the determination of Tacrolimus concentration. The method is sensitive and selective, with a low limit of detection. It has been successfully applied for therapeutic drug monitoring of Tacrolimus in patient's plasma samples.
Article
Chemistry, Multidisciplinary
Nafiseh Gholizadeh, Jalal Hanaee, Elaheh Rahimpour, Abolghasem Jouyban
Summary: This study determined the solubility of acetaminophen in a mixture of glycerol and ethanol using a shake-flask technique at different temperatures. Mathematical models were fitted to the data, and their accuracy was evaluated. The density of saturated mixtures and the thermodynamic parameters of acetaminophen dissolving were also investigated.
OVIDIUS UNIVERSITY ANNALS OF CHEMISTRY
(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)
