The properties of hydrogen at warm dense matter (WDM) conditions are of high importance for the understanding of astrophysical objects and technological applications such as inertial confinement fusion. In this work, we present extensive ab initio path integral Monte Carlo results for the electronic properties in the Coulomb potential of a fixed ionic configuration. This gives us unique insights into the complex interplay between the electronic localization around the protons with their density response to an external harmonic perturbation. We find qualitative agreement between our simulation data and a heuristic model based on the assumption of a local uniform electron gas model, but important trends are not captured by this simplification. In addition to being interesting in their own right, we are convinced that our results will be of high value for future projects, such as the rigorous benchmarking of approximate theories for the simulation of WDM, most notably density functional theory.
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http://dx.doi.org/10.1103/PhysRevE.108.035204 | DOI Listing |
J Med Entomol
December 2024
Department of Biological Sciences, The University of Texas at El Paso, El Paso, TX, USA.
The mosquito species Aedes aegypti (Linneaus) is the vector of multiple arboviruses, including dengue, Chikungunya, Zika, and yellow fever. Risk of infections associated with these arboviruses continues to expand as the geographical range of Ae. aegypti extends into temperate regions.
View Article and Find Full Text PDFRev Sci Instrum
December 2024
J-PARC Center, Japan Atomic Energy Agency, 2-4, Shirakata, Tokai-mura, Ibaraki, Japan.
A gas-sheet beam profile monitor enabling non-destructive two-dimensional profile measurements of a high-intensity beam by capturing an image of a beam-induced fluorescence was developed. For quantitative profile measurements, the monitor's response function comprising, e.g.
View Article and Find Full Text PDFBr J Radiol
December 2024
Breast Imaging Division, Radiology Department, IEO European Institute of Oncology IRCCS, 20141, Milan, Italy.
Neoadjuvant Therapy (NT) has become the gold standard for treating locally advanced Breast Cancer (BC). The assessment of pathological response (pR) post-NT plays a crucial role in predicting long-term survival, with Contrast-Enhanced Magnetic Resonance Imaging (MRI) currently recognised as the preferred imaging modality for its evaluation. Traditional imaging techniques, such as Digital Mammography (DM) and Ultrasonography (US), encounter difficulties in post-NT assessments due to breast density, lesion changes, fibrosis, and molecular patterns.
View Article and Find Full Text PDFSmall Methods
December 2024
School of Material Science and Engineering, National Institute of Technology Calicut, NIT Campus, Kozhikode, Kerala, 673601, India.
The work describes a novel sensing and transportation feasibility of the well-established antifungal drug Flucytosine (5-FC) using a 2D Silicon carbide (SiC) and Germanium-doped Silicon carbide (Ge@SiC) nanosheet via PBE level of Density functional theory. The computational study revealed that the drug molecules adhere to SiC and Ge@SiC sheets, maintaining their structural properties through physisorption on SiC and chemisorption on Ge@SiC. The charge transfer process associated with the adsorption is observed by Lowdin charge analysis and both the SiC and Ge@SiC sheets are identified as a feasible oxidation-based nanosensor for the drug.
View Article and Find Full Text PDFFront Psychiatry
December 2024
Department of Clinical Laboratory, The Mental Health Center of Kunming Medical University, Kunming, China.
Background: This study assessed the diagnostic capabilities of eight inflammatory biomarkers in first-episode schizophrenia (SCZ), bipolar disorder (BD), and depression (D), examining their differential expression across these psychiatric disorders. The markers studied include neutrophils/lymphocyte ratio (NLR), aggregate index of systemic inflammation (AISI), systemic immune-inflammation index (SII), systemic inflammation response index (SIRI), lymphocytes/high-density lipoprotein (HDL) ratio (LHR), monocytes/HDL ratio (MHR), neutrophils/HDL ratio (NHR), and platelets/HDL ratio (PHR).
Methods: We conducted a retrospective observational study involving 335 individuals with SCZ, 68 with BD, 202 with D, and 282 healthy controls (C) to evaluate hematologic parameters from untreated patients and controls.
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