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In vivo short echo time (TE) proton magnetic resonance spectroscopy (H-MRS) is a useful method for the quantification of human brain metabolites. The purpose of this study was to evaluate the performance of an in-house, experimentally measured basis set and compare it with the performance of a vendor-provided basis set. A 3T clinical scanner with 32-channel receive-only phased array head coil was used to generate 16 brain metabolites for the metabolite basis set. For voxel localization, point-resolved spin-echo sequence (PRESS) was used with volume of interest (VOI) positioned at the center of the phantoms. Two different basis sets were subjected to linear combination of model spectra of metabolite solutions in vitro (LCModel) analysis to evaluate the in-house acquired in vivo H-MR spectra from the left prefrontal cortex of 22 healthy subjects. To evaluate the performance of the two basis sets, the Cramer-Rao lower bounds (CRLBs) of each basis set were compared. The LCModel quantified the following metabolites and macromolecules: alanine (Ala), aspartate (Asp), γ-amino butyric acid (GABA), glucose (Glc), glutamine (Gln), glutamate (Glu), glutathione (GHS), Ins (myo-Inositol), lactate (Lac), N-acetylaspartate (NAA), N-acetylaspartylglutamate (NAAG), taurine (Tau), phosphoryl-choline + glycerol-phosphoryl-choline (tCho), N-acetylaspartate + N-acetylaspartylglutamate (tNA), creatine + phosphocreatine (tCr), Glu + Gln (Glx) and Lip13a, Lip13b, Lip09, MM09, Lip20, MM20, MM12, MM14, MM17, Lip13a + Lip13b, MM14 + Lip13a + Lip13b + MM12, MM09 + Lip09, MM20 + Lip20. Statistical analysis showed significantly different CRLBs: Asp, GABA, Gln, GSH, Ins, Lac, NAA, NAAG, Tau, tCho, tNA, Glx, MM20, MM20 + Lip20 ( < 0.001), tCr, MM12, MM17 ( < 0.01), and Lip20 ( < 0.05). The estimated ratio of cerebrospinal fluid (CSF) in the region of interest was calculated to be about 5%. Fitting performances are better, for the most part, with the in-house basis set, which is more precise than the vendor-provided basis set. In particular, Asp is expected to have reliable CRLB (<30%) at high field (e.g., 3T) in the left prefrontal cortex of human brain. The quantification of Asp was difficult, due to the inaccuracy of Asp fitting with the vendor-provided basis set.
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http://dx.doi.org/10.3390/metabo13030368 | DOI Listing |
J Chem Phys
September 2025
Laboratoire de Chimie Théorique, Sorbonne Université and CNRS, F-75005 Paris, France.
We develop the theory justifying the application of the density-based basis-set correction (DBBSC) method to double-hybrid approximations in order to accelerate their basis convergence. We show that, for the one-parameter double hybrids based on the adiabatic connection, the exact dependence of the basis-set correction functional on the coupling-constant parameter λ involves a uniform coordinate scaling by a factor 1/λ of the density and of the basis functions. Neglecting this uniform coordinate scaling corresponds essentially to the recent work of Mester and Kállay, J.
View Article and Find Full Text PDFBiomed Eng Lett
September 2025
Tianjin Key Laboratory for Advanced Mechatronic System Design and Intelligent Control, School of Mechanical Engineering, Tianjin University of Technology, Tianjin, 300384 China.
Hypothermia, a component of the "lethal triad," commonly complicates the condition of critically injured trauma patients, thereby substantially elevating the risk of mortality. This study develop and evaluate a dynamic warning system based on non-invasive features, aimed at predicting the likelihood of hypothermia occurring in trauma patients within the next hour. 462 patients from the eICU database were selected on the basis of meeting the inclusion criteria, and 19 non-invasive and 17 invasive features were extracted.
View Article and Find Full Text PDFColloids Surf B Biointerfaces
September 2025
Kafkas University, Faculty of Arts and Sciences, Department of Chemistry, Kars, Turkiye.
The synthesis of two Schiff base (SB) compounds, 3-phenyl-4-(5-nitrofuran-1-yl)methyleneamino-4,5-dihydro-1H-1,2,4-triazol-5-one (3‒PNM) and 1-acetyl-3-phenyl-4-(5-nitrofuran-1-yl)methyleneamino-4,5-dihydro-1H-1,2,4-triazol-5-one (1-APNM) was successful. The structures of 3-PNM and 1-APNM were determined using ¹H/¹C-NMR and IR spectroscopy. Absorption and fluorescence spectroscopy were used to evaluate the compounds' interactions with BSA.
View Article and Find Full Text PDFCell Stem Cell
September 2025
Department of Developmental and Cell Biology, University of California, Irvine, Irvine, CA 92697, USA; Sue and Bill Gross Stem Cell Research Center, University of California, Irvine, Irvine, CA 92697, USA. Electronic address:
Fat depots across the body dynamically tune their sizes in response to nutrient demands and nonmetabolic cues. Writing in Cell Stem Cell, Rivera-Gonzalez et al. report that skin fat, notable for its ability to rapidly expand, harbors molecularly distinct precursors, primed for proliferation and differentiation into mature adipocytes.
View Article and Find Full Text PDFJCO Oncol Pract
September 2025
Department of Epidemiology and Biostatistics, Memorial Sloan Kettering Cancer Center, New York, NY.
Purpose: Cost of cancer care in the United States is substantial. Previous studies have explored pricing comparisons at the level of individual cancer drugs but not that of clinical indications. This study evaluates cost patterns for providing the best guideline-concordant therapy for solid tumor treatment indications.
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