Herein, we report on a new (19)F MRI probe for the detection and imaging of H2O2. Our designed 2-fluorophenylboronic acid-based (19)F probe promptly reacted with H2O2 to produce 2-fluorophenol via boronic acid oxidation. The accompanying (19)F chemical-shift change reached 31 ppm under our experimental conditions. Such a large chemical-shift change allowed for the imaging of H2O2 by (19)F chemical-shift-selective MRI.
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http://dx.doi.org/10.2116/analsci.31.331 | DOI Listing |
J Magn Reson
January 2025
Center for Pulmonary Imaging Research (CPIR), Division of Pulmonary Medicine Cincinnati Children's Hospital Medical Center Cincinnati OH USA; Department of Pediatrics, University of Cincinnati OH USA; Department of Biomedical Engineering, University of Cincinnati OH USA; Imaging Research Center (IRC), Department of Radiology Cincinnati Children's Hospital Medical Center Cincinnati OH USA. Electronic address:
Harmonizing and validating Xe gas exchange imaging across multiple sites is hampered by a lack of a quantitative standard that 1) displays the unique spectral properties of Xe observed from human subjects in vivo and 2) has short enough T times to enable practical imaging. This work describes and demonstrates the development of two dissolved-phase, thermally polarized phantoms that mimic the in-vivo, red blood cell and membrane resonances of Xe dissolved in human lungs. Following optimization, combinations of two common organic solvents, acetone and dimethyl sulfoxide, resulted in two in-vivo-like dissolved-phase Xe phantoms yielding chemical shifts of 212.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Massachusetts Institute of Technology, 170 Albany Street, Cambridge, Massachusetts 02139, United States.
The tau protein misfolds in neurodegenerative diseases such as Alzheimer's disease (AD). These pathological tau aggregates are associated with neuronal membranes, but molecular structural information about how disease-like tau fibrils interact with the lipid membrane is scarce. Here, we use solid-state NMR to investigate the structure of a tau construct bearing four AD-relevant phospho-mimetic mutations (4E tau) with cholesterol-containing high-curvature lipid membranes, which mimic the membrane of synaptic vesicles in neurons.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
The cloud point temperatures of aqueous poly(-isopropylacrylamide) (PNIPAM) and poly(ethylene) oxide (PEO) solutions were measured from pH 1.0 to pH 13.0 at a constant ionic strength of 100 mM.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Institute of Chemistry, St. Petersburg State University, St. Petersburg, Russia.
In this computational work we study complexes with two equivalent intermolecular hydrogen bonds formed between trimethyl phosphine oxide and two identical proton donors ("twin" hydrogen bonds) for a set of 70 proton donor molecules. The changes in the phosphorus chemical shift and stretching frequency of the PO group upon complexation correlate quite well with the total strength of two hydrogen bonds. A set of explicit numerical dependences is proposed for assessing interatomic distances and hydrogen bond strengths from spectral data.
View Article and Find Full Text PDFPhytochemistry
December 2024
School of Pharmacy, Shanghai University of Traditional Chinese Medicine, Shanghai, 201203, PR China; Shanghai Seventh People's Hospital, Shanghai University of Traditional Chinese Medicine, Shanghai, 200137, PR China. Electronic address:
Fourteen undescribed sesquiterpenes, named curcumaones A-N (1-14), as well as forty-four (15-58) known ones, were isolated from the secondary rhizomes of Curcuma wenyujin. The structures and absolute configurations of 1-14 were elucidated based on NMR spectroscopic analyses, high resolution electrospray ionization mass spectroscopy (HRESIMS) data and electronic circular dichroism (ECD) spectral analysis. Among these, five sesquiterpenes with the peroxide linkage (1-5) were obtained and the change of chemical shift between the α-C connecting the peroxide linkage and the oxygen atom has been discussed.
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