A spin-probe ESR study has been made on the dynamics of 2-propanol and water molecules in the nanochannel of MCM-41 at various temperatures. In the former system, 2-propanol is separated into two phases: one with molecules immobilized in the ESR time scale and the other with mobile ones, even at temperatures more than 40 degrees higher than the bulk melting point. In the case of water, on the other hand, only the "immobilized" water was detected at a temperature as high as 313 K. At higher temperature, spin-probe molecule undergoes anisotropic rotational diffusion to reduce resistance from the solvent molecules in the nanochannel. These results are explained in relation to the intermolecular network intensified in the nanochannel. Static as well as dynamic structures of these solutions have been discussed.
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http://dx.doi.org/10.1021/jp051258k | DOI Listing |
Chem Commun (Camb)
December 2024
MOE Key Laboratory of Cluster Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, China.
Endohedral metallofullerenes (EMFs) are constructed by fullerene cages encapsulating various metal atoms or metal clusters, which usually exhibit some motion. However, due to the fact that the elusive endohedral dynamics are related to many factors, it remains a challenge to image the motion of internal species. Recently, the electron spin was found to be a sensitive probe to detect the motion of internal species in EMFs.
View Article and Find Full Text PDFJ Phys Chem B
November 2024
"Ilie Murgulescu" Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest, Romania.
Nitroxide radicals have found wide applications as spin labels or probes, and their guest-host interactions with cyclodextrins exhibit enhanced applications in electron spin resonance (ESR) spectroscopy and imaging due to improved biostability toward reducing agents. Although the computational prediction of the guest-host binding has become increasingly common for small ligands, molecular simulations regarding the conformational preferences of hosted spin probes have not been conducted. Here we present molecular dynamics simulations at an atomistic level for a set of four TEMPO (2,2,6,6-tetramethylpiperidine 1-oxyl) spin probes and thereafter develop coarse-grained models compatible with the recent version of the Martini force field (v 3.
View Article and Find Full Text PDFJ Plant Res
November 2024
Department of Biophysics, Faculty of Biology, Lomonosov Moscow State University, Moscow, 119234, Russia.
In the region of slightly acidic pH (рН 5.7), the manganese cluster in oxygen-evolving complex of photosystem II (PSII) is more resistant to exogenous reductants. The effect of such pH on the heat inactivation efficiency of the electron transport chain (O evolution and 2,6-dichlorophenolindophenol reduction) in PSII membranes and thylakoid membranes was investigated.
View Article and Find Full Text PDFYakugaku Zasshi
April 2024
Faculty of Pharmaceutical Sciences, Sojo University.
Excessive production of reactive oxygen species (ROS) causes oxidative stress and is involved in the development and progression of a wide variety of diseases. Therefore, techniques for measuring oxidative stress are indispensable for analysis of the mechanisms of various diseases. The method involving ESR and the durable nitroxyl radical (ESR/spin probe method) is useful for this purpose, because the ESR signal intensity of the spin probe changes on reacting with ROS and other unstable radicals.
View Article and Find Full Text PDFInt J Mol Sci
September 2023
Polymer Institute of SAS, 845 41 Bratislava, Slovakia.
The spectral and dynamic properties of in a series of ranging from to over a temperature range 100-300 K were investigated by ). The main characteristic ESR temperatures connected with slow to fast motion regime transition; 's and 's are situated above the corresponding glass temperatures, , and for the the 's lie above or close to melting point, , while the the < relationship indicates that the are in the local disordered regions of the . The 's and especially 's are compared with the dynamic crossover temperatures, = 8.
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