Elucidation of the Co state with strong charge-transfer effects in charged LiCoO by resonant soft X-ray emission spectroscopy at the Co L edge.

To understand the electronic-structure change of LiCoO, a widely used cathode material in Li-ion batteries, during charge-discharge, we performed soft X-ray absorption spectroscopy (XAS) and resonant soft X-ray emission spectroscopy (RXES) of the Co L edge in combination with charge-transfer multiplet calculations. The RXES profile significantly changed for the charged state at 4.2 V Li/Li, corresponding to the oxidation reaction from a Co low-spin state for the initial state, while the XAS profile exhibited small changes.

Association of the number of remaining teeth with kidney function in community-dwelling healthy older adults: a cross-sectional study.

Objectives: Although a few studies have investigated the relationship between kidney and oral function (number of remaining teeth), their results remain inconclusive. Therefore, this study aimed to investigate the relationship between kidney function and oral health in community-dwelling healthy elderlies and examine the factors associated with kidney function.

Materials And Methods: We used cross-sectional data from the Shimane prefecture cohort recruited by the Center for Community-Based Health Research and Education in 2019.

Molybdenum-Ruthenium-Carbon Solid-Solution Alloy Nanoparticles: Can They Be Pseudo-Technetium Carbide?

Technetium (Tc), atomic number 43, is an element that humans cannot freely use even in the 21st century because Tc is radioactive and has no stable isotope. In this report, we present molybdenum-ruthenium-carbon solid-solution alloy (MoRuC) nanoparticles (NPs) that are expected to have an electronic structure similar to that of technetium carbide (TcC). MoRuC NPs were synthesized by annealing under a helium/hydrogen atmosphere following thermal decomposition of metal precursors.

Fast Eating Speed Could Be Associated with HbA1c and Salt Intake Even after Adjusting for Oral Health Status: A Cross-Sectional Study.

This study aimed to examine the relationship between eating speed and hemoglobin A1c (HbA1c), considering the number of teeth, using cross-sectional health examination data from community-dwelling older individuals in Japan. We used data from the Center for Community-Based Healthcare Research and Education Study in 2019. We collected data on gender, age, body mass index, blood test results, Salt intake, bone mineral density, body fat percentage, muscle mass, basal metabolic rate, number of teeth, and lifestyle information.

Effects of Cryotherapy on Lower Leg Deep Tissue Temperature Changes: As Measured in Healthy Volunteers by Using MRI Technique.

Background: Since the 1950s, researchers have studied temperature changes in deep tissues caused by cooling stimuli. However, these changes have not been investigated non-invasively. Moreover, opinions are divided as to whether the temperature in the joints rises or falls.

resonant soft X-ray emission spectroscopy of the LiMnO cathode using an aqueous electrolyte solution.

The Mn 3d electronic-structure change of the LiMnO cathode during Li-ion extraction/insertion in an aqueous electrolyte solution was studied by resonant soft X-ray emission spectroscopy (RXES). The Mn L RXES spectra for the charged state revealed the Mn state with strong charge-transfer from the O 2p to Mn 3d orbitals dominates, while for the open-circuit-voltage and discharged states it is ascribed to the mixture of sites with Mn and Mn states. The degree of charge transfer is significantly different between the Mn and Mn states, indicating that the redox reaction takes place on the strongly-hybridized Mn 3d-O 2p orbital rather than the localized Mn 3d orbital.

Thermodynamic stability of Pd-Ru alloy nanoparticles: combination of density functional theory calculations, supervised learning, and Wang-Landau sampling.

Solid-solution alloy nanoparticles (NPs) comprising Pd and Ru, which are immiscible in the bulk state, have been synthesised and show excellent catalytic performance. To date, most studies have evaluated the stability of alloy NPs at 0 K only. Because the thermodynamic stability of Pd-Ru alloy NPs may differ from that of the alloy in the bulk state, the stable configuration of the NPs must be evaluated under a finite temperature.

Noble-Metal High-Entropy-Alloy Nanoparticles: Atomic-Level Insight into the Electronic Structure.

The compositional space of high-entropy-alloy nanoparticles (HEA NPs) significantly expands the diversity of the materials library. Every atom in HEA NPs has a different elemental coordination environment, which requires knowledge of the local electronic structure at an atomic level. However, such structure has not been disclosed experimentally or theoretically.

Correlation between fetal heart rate evolution patterns and magnetic resonance imaging findings in severe cerebral palsy: A longitudinal study.

Objective: To investigate the association between hypoxic-ischaemic insult timing and brain injury type in infants with severe cerebral palsy (CP).

Design: Longitudinal study.

Setting: Database of the Recurrence Prevention Committee, Japan Obstetric Compensation System for Cerebral Palsy.

Density Functional Theory and Machine Learning Description and Prediction of Oxygen Atom Chemisorption on Platinum Surfaces and Nanoparticles.

Elucidating chemical interactions between catalyst surfaces and adsorbates is crucial for understanding surface chemical reactivity. Herein, interactions between O atoms and Pt surfaces and nanoparticles are described as a linear combination of the properties of pristine surfaces and isolated nanoparticles. The energetics of O chemisorption onto Pt surfaces were described using only two descriptors related to surface geometrical features.

Left-sided appendicitis due to situs inversus totalis.

Situs inversus may mimic the pain localization of acute abdomen. In patients with acute abdomen, especially elderly patients who are medically healthy, physicians should cautiously diagnose the etiology of acute abdomen in combination with imaging studies.

Highly Stable and Active Solid-Solution-Alloy Three-Way Catalyst by Utilizing Configurational-Entropy Effect.

Since 1970, people have been making every endeavor to reduce toxic emissions from automobiles. After the development of a three-way catalyst (TWC) that concurrently converts three harmful gases, carbon monoxide (CO), hydrocarbons (HCs), and nitrogen oxides (NO ), Rh became an essential element in automobile technology because only Rh works efficiently for catalytic NO reduction. However, due to the sharp price spike in 2007, numerous efforts have been made to replace Rh in TWCs.

An Element-Based Generalized Coordination Number for Predicting the Oxygen Binding Energy on PtM (M = Co, Ni, or Cu) Alloy Nanoparticles.

We studied the binding energies of O species on face-centered-cubic PtM nanoparticles (NPs) with a Pt-skin layer using density functional theory calculations, where M is Co, Ni, or Cu. It is desirable to express the property by structural parameters rather than by calculated electronic structures such as the -band center. A generalized coordination number (GCN) is an effective descriptor to predict atomic or molecular adsorption energy on Pt-NPs.

Prognostic value of non-alcoholic fatty liver disease for predicting cardiovascular events in patients with diabetes mellitus with suspected coronary artery disease: a prospective cohort study.

Background: Risk stratification of cardiovascular events in patients with type 2 diabetes mellitus (T2DM) has not been established. Coronary artery calcium score (CACS) and non-alcoholic fatty liver disease (NAFLD) are independently associated with cardiovascular events in T2DM patients. This study examined the incremental prognostic value of NAFLD assessed by non-enhanced computed tomography (CT) in addition to CACS and Framingham risk score (FRS) for cardiovascular events in T2DM patients.

Operando soft X-ray emission spectroscopy of the FeO anode to observe the conversion reaction.

Drastic electronic-structure changes in an Fe2O3 thin film anode for a Li-ion battery during discharge (lithiation) and charge (delithiation) processes were observed using operando Fe 2p soft X-ray emission spectroscopy (XES). The conversion reaction forming metallic iron due to the lithiation reaction was confirmed by operando XES in combination with the analysis using full-multiplet calculation. The valence of Fe at the open-circuit voltage (OCV) before the second cycle was not Fe3+, but Fe2+ with a weak p-d hybridization, suggesting a considerable irreversibility upon the first discharge-charge cycle and a weakened Fe-O bond after the first cycle.

Mn 2p resonant X-ray emission clarifies the redox reaction and charge-transfer effects in LiMnO.

High-energy-resolution soft X-ray emission spectroscopy (XES) was applied to understand the changes in the electronic structure of LiMn2O4 upon Li-ion extraction/insertion. Mn 2p-3d-2p resonant XES spectra were analyzed by configuration-interaction full-multiplet (CIFM) calculations, which reproduced both dd and charge-transfer (CT) excitations. From the resonant XES spectra it is found that Mn3+ and Mn4+ coexist in the initial state, while this changes into Mn4+ in the charged-state.

A CO Adsorption Site Change Induced by Copper Substitution in a Ruthenium Catalyst for Enhanced CO Oxidation Activity.

Ru is an important catalyst in many types of reactions. Specifically, Ru is well known as the best monometallic catalyst for oxidation of carbon monoxide (CO) and has been practically used in residential fuel cell systems. However, Ru is a minor metal, and the supply risk often causes violent fluctuations in the price of Ru.

Solid-Solution Alloy Nanoparticles of the Immiscible Iridium-Copper System with a Wide Composition Range for Enhanced Electrocatalytic Applications.

For the first time, we synthesize solid-solution alloy nanoparticles of Ir and Cu with a size of ca. 2 nm, despite Ir and Cu being immiscible in the bulk up to their melting over the whole composition range. We performed a systematic characterization on the nature of the Ir Cu solid-solution alloys using powder X-ray diffraction, scanning transmission electron microscopy coupled with energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy.

Large Charge-Transfer Energy in LiFePO Revealed by Full-Multiplet Calculation for the Fe L -edge Soft X-ray Emission Spectra.

We analyzed the Fe 3d electronic structure in LiFePO /FePO (LFP/FP) nanowire with a high cyclability by using soft X-ray emission spectroscopy (XES) combined with configuration-interaction full-multiplet (CIFM) calculation. The ex situ Fe L -edge resonant XES (RXES) spectra for LFP and FP are ascribed to oxidation states of Fe and Fe , respectively. CIFM calculations for Fe and Fe states reproduced the Fe L RXES spectra for LFP and FP, respectively.

Stereoselective Total Synthesis of Macrophage-Produced Prohealing 14,21-Dihydroxy Docosahexaenoic Acids.

Synthesis of 14S,21R- and 14S,21S-dihydroxy-DHA (diHDHA) among the four possible stereoisomers of 14,21-diHDHA was studied. Methyl (R)-lactate (>97% ee), selected as a C20-C22 fragment (DHA numbering), was converted to the C17-C22 phosphonium salt, which was subjected to a Wittig reaction with racemic C16-aldehyde of the C12-C16 part with the TMS and TBS-oxy groups at C12 and C14, yielding the C12-C22 derivative with 14R/S and 21R chirality. Kinetic resolution using Sharpless asymmetric epoxidation of the TBS-deprotected allylic alcohol with l-(+)-DIPT/Ti(O-i-Pr) afforded 14S-epoxy alcohol and 14R-allylic alcohol with >99% diastereomeric excess (de) for both.

Stereoselective synthesis of 17,18-epoxy derivative of EPA and stereoisomers of isoleukotoxin diol by ring opening of TMS-substituted epoxide with dimsyl sodium.

The reaction of TMS-substituted epoxy alcohols (and derivatives) with dimsyl sodium (NaDMSO) to give 1-alkene-3,4-diols was used for the synthesis of enantiomerically enriched 17(R),18(S)-EpETE and two diastereoisomers of isoleukotoxin diol. In the synthesis of 17(R),18(S)-EpETE, the α-ethoxyethyl ether (EE) of the epoxy alcohol derived from (R)-1-TMS-1-penten-3-ol underwent reaction with NaDMSO to give the mono EE-protected 1-hexene-3,4-diol. The aldehyde obtained by hydroboration/oxidation was subjected to Wittig reaction to afford a mono EE-protected diol.