Article
Chemistry, Multidisciplinary
Qingyang Zhang, Min Su, Linjing Yu, Yang Zhang
Summary: The study introduced a method to prepare magnetic protein crystals with targeting function using nanomagnetic spheres and polymers, and found that Polymer C had the strongest interaction with lysozyme, promoting the most suitable change in the conformation of lysozyme for optimum crystallization propensities.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Caroline Fradin, Frederic Guittard, Thierry Darmanin
Summary: The research explores the importance of controlling the size and shape of nanostructures on surfaces, as well as the formation of nanostructured surfaces using templateless electropolymerization. Experimental results demonstrate that the amount of water and the molecular structure of the carbazole monomers play crucial roles in determining the shape of nanostructures on surfaces, leading to a variety of morphologies.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Thermodynamics
Yoshitaka Ueki, Yuta Tsutsumi, Masahiko Shibahara
Summary: In this study, classical molecular dynamics simulations were used to numerically investigate the behavior of nanoscale H2O droplets during cooling and ice formation, revealing the patterns of time-varying interfacial thermal resistance and density depletion length.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Multidisciplinary
Saikat Datta, Rohit Pillai, Matthew K. Borg, Khellil Sefiane
Summary: Through molecular simulations, the phenomenon of acoustothermal nucleation was studied, showing that nanobubbles can nucleate on both hydrophilic and hydrophobic surfaces. Energy balances were used to differentiate between boiling and cavitation events, and a physics-based energy balance model was established to rationalize the nucleation events. A regime map of nanoscopic nucleation events was produced to connect observed nanoscale results to macroscopic experiments.
Article
Electrochemistry
Yanis Levieux-Souid, Ananya Sathanikan, Francois Orange, Frederic Guittard, Thierry Darmanin
Summary: A soft electropolymerization approach was used to prepare highly ordered porous surface structures with benzotrithiophene-based monomers, leading to unique results with aromatic groups forming densely packed large open spheres. The porous surfaces hold potential for various applications such as water-harvesting systems, oil adsorbents, sensors, and drug delivery in the future.
ELECTROCHIMICA ACTA
(2021)
Article
Thermodynamics
Kui He, Yi Lin, Xiao-Juan Guo, Wu-zhi Yuan, Ya Ge, Si-Min Huang
Summary: This paper presents an experimental study on the phase-splitting features of droplet/slug flow in a mini-T-junction, with a focus on how the wall wettability affects these features. Results show that the wettability features significantly impact the droplet splitting modes, with different transitions observed between blocking and non-blocking splitting in hydrophobic and hydrophilic T-junctions. Furthermore, the polydispersity level of the split daughter droplets is found to vary between the different wettability conditions and splitting ratios of the continuous flow.
EXPERIMENTAL THERMAL AND FLUID SCIENCE
(2022)
Article
Chemistry, Physical
Alexandre M. Emelyanenko, Kirill A. Emelyanenko, Alexander Ya. Vul, Alexander V. Shvidchenko, Ludmila B. Boinovich
Summary: According to the classical nucleation theory, solid particles in a liquid promote heterogeneous nucleation under supercooling. This study analyzes the behavior of detonation diamond nanoparticles (DND) with different surface charges in supercooled conditions and frozen state. The experimental data and analysis demonstrate a significant increase in freezing delay times for positively charged nanoparticles and a sharp decrease for negatively charged ones compared to deionized water.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Energy & Fuels
Andreas Tzachristas, Dimitra G. Kanellopoulou, Souhail Youssef, Olga Vizika-Kavvadias, Petros G. Koutsoukos, Christakis A. Paraskeva, Varvara Sygouni
Summary: The previous studies have revealed that the surface wettability has a significant effect on the crystals formed during the flow of CaCl2 and NaHCO3 in microchips. Trapped oil-waterinterfaces were found to accelerate crystal nucleation, growth, and morphology. In this study, the precipitation of CaCO3 in hydrophobic and hydrophilic microchips in the presence of the commonly used anionic surfactant AOT was investigated.
Article
Thermodynamics
S. Y. Guan, Z. H. Zhang, R. Wu, X. K. Gu, C. Y. Zhao
Summary: The impacts of nano-porous structures on boiling heat transfer characteristics are revealed through theoretical and modeling analysis. The results show that the boiling inception time is proportional to the void volume to solid surface area ratio, and the critical heat flux is a power law function of pore size. Molecular dynamics simulations further validate the theoretical analysis, showing a power law relation between boiling inception time and void volume to solid surface area ratio, and an exponent of 1.232 in the power law relation between critical heat flux and pore size.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Multidisciplinary Sciences
Anton Tamtoegl, Emanuel Bahn, Marco Sacchi, Jianding Zhu, David J. Ward, Andrew P. Jardine, Stephen J. Jenkins, Peter Fouquet, John Ellis, William Allison
Summary: The behavior of water monomers on a graphene surface shows cooperative motion due to repulsive forces between the monomers, increasing the monomer lifetime in a free-gas phase and inhibiting ice nucleation. These findings provide insights into the kinetic barrier of ice nucleation and offer pathways to understanding and controlling processes involved in ice formation.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Marcellus Gedes Fernandes de Moraes, Amaro Gomes Barreto Jr, Argimiro Resende Secchi, Mauricio B. de Souza Jr, Paulo Laranjeira da Cunha Lage, Allan S. Myerson
Summary: This study systematically investigated the polymorphism of Praziquantel (PZQ) through cooling crystallization experiments. A novel dimethylacetamide (DMA) solvate and a new form were discovered. The results reveal that solvent selection and variation in supersaturation generation can lead to forms that are not obtained by more complicated techniques and potentially find new forms.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Hengxin Fang, Zhanli Geng, Nan Guan, Limin Zhou, Lijuan Zhang, Jun Hu
Summary: This article investigates the synergistic effect of surface hydrophobicity and gas saturation on the generation of interfacial gas structures. The results show that higher surface hydrophobicity and gas oversaturation can more efficiently produce surface nanobubbles and micropancakes, which is helpful for further understanding the formation of interfacial gas structures on hydrophobic surfaces.
Article
Chemistry, Physical
Min Wu, Holger Wille, Maria Stepanova
Summary: This study investigates the structure and dynamics of misfolded aggregates of alpha-synuclein using molecular dynamics simulations. The results indicate that monomeric alpha-synuclein tends to form aggregates with fibrillar seeds. Analysis reveals the impact of long-range interactions on the stability of these aggregates.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Salif Sow, Salihu Dihissou, Abdoulaye Drame, Aboubacary Sene, Francois Orange, Samba Yande Dieng, Frederic Guittard, Thierry Darmanin
Summary: In this study, various original benzotrithiophene-based monomers were synthesized and investigated for their ability to form nanoporous structures through soft-template electropolymerization in organic solvents, with a focus on the influence of water. It was found that nanoporous structures were especially observed in solvent saturated with water, and the substituent had a significant influence on the size of the porous structures. The highest hydrophobic properties were achieved with perfluorooctyl chains, leading to the formation of a large number of extremely small nanoporous structures. Furthermore, the surfaces exhibited strong water adhesion comparable to rose petals or gecko feet, suggesting potential applications in water harvesting systems.
Review
Polymer Science
Adrian Matencio, Gjylije Hoti, Yousef Khazaei Monfared, Azam Rezayat, Alberto Rubin Pedrazzo, Fabrizio Caldera, Francesco Trotta
Summary: Cyclodextrins and cyclodextrin-based polymers are known to be effective complexing agents that can enhance the activity of drugs in solution. Through drug complexation, the activity of the solution can be increased, leading to improved drug delivery and efficacy.
Article
Biochemistry & Molecular Biology
A. Mavani, Aben Ovung, Soching Luikham, Gopinatha Suresh Kumar, Abhi Das, Debes Ray, Vinod K. Aswal, Jhimli Bhattacharyya
Summary: The molecular mechanism of the interaction between heme protein hemoglobin (Hb) and sulfadiazine (SDZ) has been investigated using spectroscopic, neutron scattering, and molecular modeling techniques. The study provides insights into the binding mechanism, binding affinity, structural changes of the protein, and the types of forces involved.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
A. Mavani, Debes Ray, Vinod K. Aswal, Jhimli Bhattacharyya
Summary: With the advancement in antimicrobial drugs, efficient solubility is important for drug effectiveness. Triton X-100 was used to solubilize sulfamethazine through micellization. Spectral changes confirmed the association process, and small angle neutron scattering was used to study the morphology. The study emphasized the role of Triton X-100 as a drug solubilizing and carrier agent, enhancing cellular uptake and antibacterial effects.
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
(2023)
Article
Chemistry, Physical
Dhruvi Patel, Payal Vaswani, Sumana Sengupta, Debes Ray, Dhiraj Bhatia, Sharmistha Dutta Choudhury, Vinod K. Aswal, Ketan Kuperkar, Pratap Bahadur
Summary: This study investigates the self-assembly generation of normal and reverse Pluronics in aqueous systems and evaluates their critical micelle temperature using fluorescence spectroscopy and scattering techniques. The results show that different types of Pluronics form micelles with different structures at different temperatures, and these nanoscale micellar aggregates demonstrate potential as nanocargos for anticancer drug delivery.
COLLOID AND POLYMER SCIENCE
(2023)
Article
Chemistry, Applied
Vinod Kumar, Panchami Patel, Debes Ray, Prachi Thareja, Ketan Kuperkar, Vinod Kumar Aswal, Pratap Bahadur
Summary: This study investigates the solution behavior and micellar transition of a cationic gemini surfactant in water and mixed water-ethanol media. Rheological data shows that the viscosity of the system decreases with increasing ethanol concentration. Small-angle neutron scattering reveals a structural transition of the micelles dependent on solvent composition and temperature, indicating the role of ethanol as a cosolvent.
JOURNAL OF SURFACTANTS AND DETERGENTS
(2023)
Article
Pharmacology & Pharmacy
Deepak Kumar, Abhishek Suna, Debes Ray, Vinod K. Aswal, Pratap Bahadur, Sanjay Tiwari
Summary: The study investigates the effect of bile salt on the microstructural characteristics of soy lecithin vesicles. It is found that the addition of bile salt reduces the size of vesicles and transforms them into cylindrical structures at higher concentrations. These structural changes are attributed to the interaction between bile salt and lecithin molecules. The mixed structures exhibit high stability.
Article
Chemistry, Physical
Shirisha Kanike, Jayant Sarolia, Jastarn Toor, Debes Ray, Vinod K. Aswal, Sanjay Tiwari
Summary: In this research, the behavior of a nonionic micro-emulsion during the incorporation of water and alpha-tocopherol was studied. The formulation used specific components and was examined using various techniques. Contrary to previous reports, the solubilization of alpha-tocopherol did not significantly affect the micro-structure or phase boundary of the formulation.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Multidisciplinary
Divya Patel, German Perez-Sanchez, Miguel Jorge, Debes Ray, Vinod K. . Aswal, Ketan Kuperkar, Joao A. P. Coutinho, Pratap Bahadur
Summary: In this study, the effects of cationic surfactants on the morphology of triblock copolymer nanoaggregates were investigated. The results from experiments, scattering data analysis, and molecular dynamics simulations provided a deep insight into the interactions controlling micellar aggregation in the mixed systems.
Article
Materials Science, Multidisciplinary
Sudip Kumar Sarkar, Debes Ray, Debasis Sen, Aniruddha Biswas
Summary: This study examines and distinguishes the two different modes of alpha' phase separation in thermally aged Fe-Cr alloys using atom probe tomography (APT) and small angle neutron scattering (SANS). APT analysis determines the mode of phase separation based on chemical fluctuation and interphase interface characteristics, while SANS analysis identifies key features in the correlation peaks that can distinguish between the two modes.
MICROSCOPY AND MICROANALYSIS
(2023)
Article
Chemistry, Physical
A. Mavani, Debes Ray, Vinod K. Aswal, Jhimli Bhattacharyya
Summary: This study aimed to investigate the interaction between sulfamolecules and bovine serum albumin (BSA). The results showed that sulfamolecules bind non-cooperatively with BSA protein, with a binding affinity of 104 M-1 and a binding stoichiometry of 1:1. The interaction process was found to be spontaneous, involving both electrostatic and hydrophobic forces. The study provides insights into drug-protein interaction patterns for the rational design of drugs and development of targeted therapies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
M. Sivanantham, Ramsankar Senthamaraikannan, Anjaneyulu Dirisala, Chanchal Ghosh, Debes Ray, Chetna Tewari, Ramesh Padamati, Soumyadip Choudhury, Yong Chae Jung
Summary: This study demonstrates the ability of two different polyion complex (PIC)-based double hydrophilic block copolymers (DHBC) to form multiple carbon morphologies when blended with three different phenol concentrations via a hydrothermal-assisted carbonization strategy. The research reveals that the blend of oppositely charged poly(ethylene glycol) (PEG)-conjugated poly(amino acid) block copolymers, PEG-poly(l-lysine) (PEG-PLys) and PEG-poly(glutamic acid) (PEG-PGlu), undergoes a morphological transition from worm-like to spherical to granular, while the blend of PEG-PLys and PEG-poly(aspartic acid) (PEG-PAsp) exhibits a transition from elliptical to irregular to spherical.
Article
Physics, Multidisciplinary
Ankush Pal, Devang Khakhar, Debes Ray, Vinod K. Aswal
Summary: Small-angle neutron scattering (SANS) was used to measure the bilayer thickness of SOPC lipid liposomes of different sizes. The results showed a slight reduction in bilayer thickness as liposome size increased. A model was developed to estimate the bilayer thickness based on liposome diameter, and it showed a small decrease in thickness as liposome size increased. The addition of ethanol to liposome suspensions also resulted in a decrease in bilayer thickness, with a reduction of 12%-15% at a concentration of 20 vol% ethanol.
Article
Chemistry, Physical
Divya Patel, Nitumani Tripathi, Debes Ray, Vinod K. Aswal, Ketan Kuperkar, Pratap Bahadur
Summary: This study investigates the influence of a cationic surfactant, cetyltrimethylammonium bromide (CTAB), on the self-assembly and micellization behavior of a triblock copolymer in aqueous solution. The researchers used various techniques, including HSDSC, phase behavior study, DLS, and SANS, to analyze the properties of the system. Furthermore, computational simulation was employed to assess the relationship between the molecular orbital energies of the tested compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Nitumani Tripathi, Debes Ray, Vinod K. Aswal, Ketan Kuperkar, Pratap Bahadur
Summary: This study investigates the nanoscale self-assembly behavior of ethylene oxide and propylene oxide-based block copolymers in aqueous solution, as well as the influence of sodium salts on the self-assembly process. The results show that at low temperatures, the copolymers exist as molecularly dissolved units, and at higher concentrations or in the presence of salt or elevated temperatures, the micellar structures exhibit a higher degree of organization.
Article
Chemistry, Multidisciplinary
Deep Bhalani, Hiral Kakkad, Jignasa Modh, Debes Ray, Vinod K. Aswal, Sadafara A. Pillai
Summary: A comparative analysis of PEG-based excipients Gelucire®48/16 and Tetronics®1304 for their micellar and solubilizing properties was conducted. It was found that Ge 48/16 showed superior solubilizing ability in the presence of salt, suggesting its potential as a nanocarrier for drug solubilization.
Article
Chemistry, Physical
Nitumani Tripathi, Debes Ray, Vinod K. Aswal, Ketan Kuperkar, Pratap Bahadur
Summary: This article investigates the nanoscale self-assembly behavior of commercially available Pluronics L44 and F77 (ethylene oxide and propylene oxide-based block copolymers) in aqueous solution and their interaction with sodium salts. The results show that at low temperatures, the Pluronics solutions exist as individual units called unimers, while at higher concentrations and in the presence of salt or elevated temperatures, the micellar structures become more organized. Additionally, the study also explores the effect of various salts on the structural morphology changes of the block copolymers.
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)