Infrared spectroscopy was performed on ionic liquids (ILs) that had imidazolium cations with different alkyl chain lengths and various halogen or molecular anions with and without a small amount of water. The molar concentration normalized absorbance due to C-H vibrational modes in the range of 3000 to 3200 cm was nearly identical for ILs that had imidazolium cations with different alkyl chain lengths and the same anions. A close correlation was found between the red-shifted C-H vibrational modes, the chemical shift of C(2)-H proton, and the energy stabilization of the hydrogen-bonding interaction. The vibrational modes of the water molecules interacting with anions in the range between 3300 and 3800 cm was examined. The correlation between the vibrational frequencies of water, the frequencies of C-H vibrational modes, and the center frequency of intermolecular vibrational modes due to ion pairs was discussed.
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http://dx.doi.org/10.1021/acs.jpcb.7b01429 | DOI Listing |
Med Biol Eng Comput
January 2025
Department of Biomedical Engineering, Indian Institute of Technology, Ropar, Punjab, India.
Blood pressure (BP) is one of the vital physiological parameters, and its measurement is done routinely for almost all patients who visit hospitals. Cuffless BP measurement has been of great research interest over the last few years. In this paper, we aim to establish a method for cuffless measurement of BP using ultrasound.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London E1 4NS, U.K.
Halide perovskites have attracted recent attention as thermoelectric materials due to their low thermal conductivity combined with good charge transport characteristics. The tin halide perovskites hold the highest within metal halide perovskites and offer lower toxicity than lead-containing perovskites that are well-known for photovoltaics. In this study, we partially substitute Sn (II) with Ge (II) to form mixed metal CsSnGeI perovskite thin films that have substantially improved stability, remaining in the black orthorhombic phase after hours of ambient air exposure.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.
We revisit the naked transition metal cation (Ti) and methanol reaction and go beyond the standard Landau-Zener (LZ) picture when modeling the intersystem crossing (ISC) rate between the lowest doublet and quartet states. We use both (i) unconstrained Born-Oppenheimer molecular dynamics (BOMD) calculations with an approximate two-state method to estimate population transfer between spin diabats and (ii) constrained dynamics to explore energetically accessible portions of the - 1 crossing seam, where is the total number of internal degrees of freedom. Whereas previous LZ calculations (that necessarily relied on the Condon approximation to be valid) fell short and predicted much slower crossing probabilities than shown in experiment, we show that ISC can occur rapidly because the spin-orbit coupling (SOC) between the doublet and quartet surfaces can vary by 2 orders of magnitude (depending on where in the seam the crossing occurs during dynamics) and the crossing region is revisited multiple times during a dynamics run of a few hundred femtoseconds.
View Article and Find Full Text PDFACS Nano
January 2025
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou 215123, PR China.
The ever-growing interest in MXenes has been driven by their distinct electrical, thermal, mechanical, and optical properties. In this context, further revealing their physicochemical attributes remains the key frontier of MXene materials. Herein, we report the anisotropic localized surface plasmon resonance (LSPR) features in TiCT MXene as well as site-selective photocatalysis enabled by the photophysical anisotropy.
View Article and Find Full Text PDFNanoscale
January 2025
Department of Chemistry, Federal University of São Paulo (UNIFESP), Diadema, SP, Brazil.
This study aims to use superparamagnetic iron oxide nanoparticles (SPIONs), specifically magnetite (FeO), to deliver deflazacort (DFZ) and ibuprofen (IBU) to Duchenne muscular dystrophy-affected (DMD) mouse muscles using an external magnetic field. The SPIONs are synthesized by the co-precipitation method, and their surfaces are functionalized with L-cysteine to anchor the drugs, considering that the cysteine on the surface of the SPIONs in the solid state dimerizes to form the cystine molecule, creating the FeO-(Cys)-DFZ and FeO-(Cys)-IBU systems for tests. The FeO nanoparticles (NPs) were characterized by Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, powder X-ray diffraction (PXRD), transmission electron microscopy (TEM), dynamic light scattering (DLS), and magnetic measurements.
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