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http://dx.doi.org/10.1021/acs.nanolett.1c03988 | DOI Listing |
Nat Commun
January 2025
Physik-Institut, Universität Zürich, Zürich, Switzerland.
Anal Bioanal Chem
January 2025
Department of Plant and Environmental Science, University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark.
Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is commonly used for identification of compounds in complex samples due to the high chromatographic and mass spectral resolution provided. In subsequent data processing workflows, it is imperative to preserve this resolution to fully exploit the data. "Region of interest" (ROI) algorithms were introduced as a better alternative to equidistant binning for compressing HRMS data because they better preserve the mass spectral resolution.
View Article and Find Full Text PDFKorean J Radiol
January 2025
Department of Diagnostic and Interventional Radiology, University Medical Center Freiburg, Faculty of Medicine, University of Freiburg, Freiburg, Germany.
Objective: The aim of this study was to compare image quality features and lesion characteristics between a faster deep learning (DL) reconstructed T2-weighted (T2-w) fast spin-echo (FSE) Dixon sequence with super-resolution (T2) and a conventional T2-w FSE Dixon sequence (T2) for breast magnetic resonance imaging (MRI).
Materials And Methods: This prospective study was conducted between November 2022 and April 2023 using a 3T scanner. Both T2 and T2 sequences were acquired for each patient.
J Mol Model
January 2025
Department of Natural Sciences, University of Michigan-Dearborn, Dearborn, MI, 48128, USA.
Context: Riboflavin (RF), also known as B2 vitamin, is the precursor to flavin mononucleotide (FMN) and flavin adenine dinucleotide (FAD), two co-enzymes involved in many electron transport processes. Interactions of the isoalloxazine ring, common to all three compounds, are of great interest due to their biological function in flavoproteins and relevance in the transport by the carrier protein leading to development of drug delivery strategies and non-invasive diagnostics techniques. Based on protein crystallographic data, a computational investigation of the interactions in the complexes between lumiflavin, a model compound, and aromatic amino acids, tyrosine and tryptophan, was pursued with the goal of characterizing noncovalent interactions.
View Article and Find Full Text PDFJ Chem Phys
January 2025
State Key Laboratory of Hydroscience and Engineering, Department of Hydraulic Engineering, Tsinghua University, Beijing 100084, China.
Structural indicators, also known as structural descriptors, including order parameters, have been proposed to quantify the structural properties of water to account for its anomalous behaviors. However, these indicators, mainly designed for bulk water, are not naturally transferrable to the vicinity of ions due to disruptions in the immediate neighboring space and a resulting loss of feature completeness. To address these non-bulk defects, we introduced a structural indicator that draws on the concept of clique number from graph theory and the criterion in agglomerative clustering, denoted as the average cluster number.
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