Article
Chemistry, Physical
Malgorzata Matusiak, Otgonsuren Sukhbat
Summary: In this study, the liquid moisture transport performance of knitted fabrics made of cotton blends with other fibers was measured. It was found that stretching significantly changed the liquid moisture transport capability of the fabrics, and in general, stretching improved the fabric's ability to transfer liquid sweat.
Article
Chemistry, Physical
Annelisa S. Rigoni, Michael Breedon, Gavin E. Collis, Michelle J. S. Spencer
Summary: LiF is a well-known component of the SEI layer in lithium metal batteries. The interaction between several ILs and LiF surface was studied using DFT calculations. The adsorption of ILs onto the LiF surface was found to be weaker than the anion-cation interaction energy, and the ILs showed thermal stability on the LiF surface at 428 K.
SURFACES AND INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Li-Yuan Zhang, Jin-Ju Yang, Yao-Hui You
Summary: Fluorinated ZnO-TiO2 composites exhibit excellent photocatalytic degradation performance, attributed to their small grain size, large specific surface area, effective degradation rate of methyl orange, and good recycling performance.
Review
Environmental Sciences
Xiaoshuang Cheng, Lan Liang, Jingya Ye, Ning Li, Beibei Yan, Guanyi Chen
Summary: Water matrices, including inorganic anions and natural organic matters, have significant effects on H2O2-based Fenton-like processes. While carbonate and phosphate ions usually inhibit the process, the effects of other water matrices are controversial. Water matrices can inhibit pollutant degradation through various mechanisms, such as scavenging radicals and changing solution pH. However, inorganic anions can exhibit a promotion effect due to their complexation with metal ions. This review provides comprehensive analysis and guidance for the practical applications of the Fenton-like process.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Physical
Leonardo del Rosso, Milva Celli, Daniele Colognesi, Svemir Rudic, Niall J. English, Lorenzo Ulivi
Summary: This study compares the density of phonon states (DOPSs) of ice Ih and ice Ic through experimental measurements and computational methods, showing that the subtle differences between the two forms of ice can be quantitatively measured and semi-quantitatively reproduced. The effectiveness of computational methods in calculating the dynamical properties of ice structures is demonstrated.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Miguel de la Puente, Rolf David, Axel Gomez, Damien Laage
Summary: The acidity at the air-water interface decreases compared to the bulk, but is higher below the interface. This has important implications for environmental and biochemical processes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Wilberth A. Narvaez, Benjamin J. Schwartz
Summary: This study investigates the electronic species present in acetonitrile cluster anions and why they exhibit different binding energies through DFT-based ab initio molecular dynamics simulations. The results show that in thermal equilibrium, molecular dimer anions are more stable compared to molecular monomer anions and surface-bound excess electrons, suggesting different electron binding motifs at larger cluster sizes.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Physical
Margarida L. Ferreira, Nicole S. M. Vieira, Paulo J. Castro, Lourdes F. Vega, Ana B. Pereiro, Joao M.M. Araujo
Summary: This article provides an overview of the phase behavior of fluorinated ionic liquids (FILs), including gas solubility, membrane application, and modeling approaches. The study reveals that the density and functionalization of FILs positively impact gas absorption, and modeling tools facilitate the screening of features promoting gas absorption by FILs. Furthermore, FILs exhibit rich phase behavior with water and perfluoroalkanes, and the formation of deep eutectic systems expands the applicability of FILs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Janna N. Sloand, Tyler E. Culp, Nichole M. Wonderling, Enrique D. Gomez, Scott H. Medina
Summary: Nature has developed elegant strategies to organize inert building blocks into adaptive supramolecular structures, with interfacial self-assembly being one favored approach. By exploiting antithetical fluorous-water interfaces, non-canonical fluorinated amino acids can be assembled into crystalline mechanomorphogenic films, yielding self-healing materials that can change their macro-morphology in response to mechanical stimuli. These films exhibit responsive behavior to environmental factors and selective permeability, which has enabled the rapid extraction of perfluoroalkyl substances from contaminated water samples. Continued research in this area may lead to the design of adaptive molecular networks and living matter using interface-templated and fluorine-driven assembly phenomena.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Mechanics
Vladimir E. Vinogradov, Vladimir G. Baidakov
Summary: The tensile strength of oxygen-nitrogen solutions was investigated under tension waves, and the temperature dependence of the limiting stretches of the solutions with different nitrogen contents was determined. Experimental data were compared with calculations using classical nucleation theory.
Review
Chemistry, Multidisciplinary
Nabonswende Aida Nadege Ouedraogo, Hui Yan, Chang Bao Han, Yongzhe Zhang
Summary: The use of fluorinated compounds in perovskite solar cell devices can effectively improve device performance and long-term stability, thanks to the high electronegativity and strong hydrophobicity of the fluorine atom.
Article
Chemistry, Physical
Takafumi Shimoaka, Aki Fukumi, Nobutaka Shioya, Takeshi Hasegawa
Summary: Perfluoroalkyl (Rf) compounds have poor solubility in most solvents except fluorinated solvents. A single Rf chain with a short length exhibits a strong affinity to water molecules. This study investigates the liquid layer of perfluoro-n-alkanes on water using infrared external reflection spectrometry.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Tyler L. King, Orhi Esarte Palomero, Dawson A. Grimes, Sean T. Goralski, Richard A. Jones, Emily L. Que
Summary: This study investigates the extraction of metal ions using a fluorinated acetylacetonate pro-ligand into a perfluorocarbon phase, with a focus on characterizing the speciation of the extracted metal complexes. The findings suggest that the formation of coordinatively saturated mononuclear metal complexes in the fluorous phase is crucial for retaining the extracted species, and synergistic extraction plays an important role for metal ions that do not form these types of metal complexes with acetylacetonate ligands alone.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Engineering, Civil
Ewa Blazik-Borowa, Jaroslaw Bec
Summary: Scaffoldings are commonly used in high altitude and hard-to-reach places, posing potential dangers to workers. Analyzing vibration probabilities and natural frequencies can help improve safety measures, such as adding bracings or reducing anchor lengths.
ARCHIVES OF CIVIL AND MECHANICAL ENGINEERING
(2021)
Article
Spectroscopy
Vitaly Korepanov, Chun-Chieh Yu, Hiro-o Hamaguchi
Summary: In this study, the hyper-Raman spectra of liquid water were measured and the temperature-dependent spectra components were obtained through analysis. The results indicate that structured and non-structured hydrogen-bonded water coexist in thermal equilibrium in ambient liquid water.
JOURNAL OF RAMAN SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Maciej Smiechowski
Article
Thermodynamics
Joanna Krakowiak, Maciej Smiechowski
JOURNAL OF CHEMICAL THERMODYNAMICS
(2017)
Article
Biochemical Research Methods
Maciej Smiechowski
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2017)
Article
Chemistry, Physical
Maciej Smiechowski, Joanna Krakowiak, Piotr Bruzdziak, Janusz Stangret
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2017)
Article
Chemistry, Physical
Mateusz Lesniewski, Maciej Smiechowski
JOURNAL OF CHEMICAL PHYSICS
(2018)
Article
Chemistry, Physical
Lukasz Marcinkowski, Maciej Smiechowski, Emil Szepinski, Adam Kloskowski, Dorota Warminska
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
A. Panuszko, P. Bruzdziak, M. Smiechowski, M. Stasiulewicz, J. Stefaniak, J. Stangret
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Dorota Warminska, Maciej Smiechowski
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Inorganic & Nuclear
Maciej Smiechowski, Ingmar Persson
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Physical
Bartosz Nowosielski, Marzena Jamrogiewicz, Justyna Luczak, Maciej Smiechowski, Dorota Warminska
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Physical
Marcin Stasiulewicz, Aneta Panuszko, Maciej Smiechowski, Piotr Bruzdziak, Pawel Maszota, Janusz Stangret
Summary: This study investigates the influence of osmolytes on water properties and protein stability. Experimental and computational approaches are used to study the effects of TMG and urea on hydration properties of model molecules. TMG is found to enhance hydration cage while urea directly interacts with model molecules, displacing water molecules and weakening hydrogen bonds.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Maciej Smiechowski
Summary: Infrared (IR) spectroscopy is crucial in studying intermolecular interactions in solvent mixtures. Excess IR spectroscopy and difference spectra method are used to analyze the non-ideality of solutions and interactions between components. The excess IR spectrum helps in predicting band shifts, while the difference spectra method isolates affected spectra of components in the mixture.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Spectroscopy
Maciej Smiechowski
Summary: This study obtained the IR spectra of liquid DMSO from first principles and revealed complex spatial correlations underlying the IR response. The research showed that some fundamental vibrations visible in the intramolecular limit are effectively suppressed by the solvation environment and disappear in the bulk limit, escaping experimental detection.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Dorota Warminska, Maciej Smiechowski
Summary: Amino acid ionic liquids (AAILs) are low-toxicity and biodegradable alternatives to conventional ionic liquids that maintain solubility in water. Experimental measurements and molecular dynamics simulations reveal that ion-solvent interactions in these solutions are primarily influenced by the hydrophobic effect and the charge effect, with temperature dependence. Ion-ion interactions are dominated by the hydrophobic effect, while solvent interactions are determined by both hydrophobic and charge effects.
JOURNAL OF MOLECULAR LIQUIDS
(2022)