Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding.

This review presents computational and machine learning methodologies developed during a 5-year research project on proton-conducting oxides. The main goal was to develop methodologies that could assist in materials discovery or provide new insights into complex proton-conducting oxides. Through these methodologies, three new proton-conducting oxides, including both perovskite and non-perovskites, have been discovered.

Lone Pair Induced 1D Character and Weak Cation-Anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-Anion Metal Chalcohalide CuBiSCl.

Mixed-anion compounds, which incorporate multiple types of anions into materials, display tailored crystal structures and physical/chemical properties, garnering immense interest in various applications such as batteries, catalysis, photovoltaics, and thermoelectrics. However, detailed studies regarding correlations among crystal structure, chemical bonding, and thermal/vibrational properties are rare for these compounds, which limits the exploration of mixed-anion compounds for associated thermal applications. In this work, we investigate the lattice dynamics and thermal transport properties of the metal chalcohalide, CuBiSCl.

Is the Presence of Sn a Crucial Factor for the Generation of Low Thermal Conductivity in Tin-Based Sulfides?

Comprehending the relationship between crystal structures and transport properties is crucial to develop materials with improved electrical and thermal properties for thermoelectric applications. In this article, we report on the complex crystal structure and physical properties of CrSnS, a -type magnetic semiconductor with a low energy band gap and low thermal conductivity. Importantly, we demonstrate that the high level of structural complexity is related to the coexistence of two sublattices: a host lattice, [CrSnS], characterized by a mixed Sn/Cr occupancy of its cationic sites, and a guest lattice characterized by [SnS] chains, containing Sn cations only, closely related to the ones encountered in the orthorhombic SnS compound.

Potassium-rich antiperovskites KHTe and KFTe and their structural relation to lithium and sodium counterparts.

Unlike perovskite oxides, antiperovskites MHCh and MFCh (M = Li, Na; Ch = S, Se, Te) mostly retain their ideal cubic structure over a wide range of compositions owing to anionic size flexibility and low-energy phonon modes that promote their ionic conductivity. In this study, we show the synthesis of potassium-based antiperovskites KHTe and KFTe and discuss the structural features in comparison with lithium and sodium analogues. It is shown experimentally and theoretically that both compounds maintain a cubic symmetry and can be prepared at ambient pressure, in contrast to most of the reported MHCh and MFCh which require high pressure synthesis.

Real-Time Prediction of Medical Demand and Mental Health Status in Ukraine under Russian Invasion Using Tweet Analysis.

Russia's invasion of Ukraine (February 24, 2022) has begun and there are concerns about the impact on health care supply and mental health. This study analyzed tweets in the Ukrainian language to capture the medical needs and mental health conditions in wartime Ukraine by focusing on ostensibly relevant words. The number of tweets containing the keywords and their overall proportion was compared before and after the Russian invasion of Ukraine.

Conventional and Kampo Medicine Treatment for Mild-to-moderate COVID-19: A Multicenter, Retrospective, Observational Study by the Integrative Management in Japan for Epidemic Disease (IMJEDI Study-observation).

Objective Patients in whom coronavirus disease 2019 (COVID-19) was suspected or confirmed between January 1, 2020, and October 31, 2021, were enrolled from Japanese hospitals in this multicenter, retrospective, observational study. Methods Data on the treatment administered (including conventional and Kampo medicine) and changes in common cold-like symptoms (such as fever, cough, sputum, dyspnea, fatigue, and diarrhea) were collected from their medical records. The primary outcome was the number of days without a fever (with a body temperature <37°C).

Use of Medical Information and Digital Services for Self-Empowerment before, during, and after a Major Disaster.

Disaster response procedures have been developed and improved following the Great East Japan Earthquake. Innovative services have also been created through digital transformation, including an acceleration and deepening of artificial intelligence technology. Things that were once technically impossible are now possible.

Alkali-Rich Antiperovskite MFCh (M = Li, Na; Ch = S, Se, Te): The Role of Anions in Phase Stability and Ionic Transport.

To improve ionic conductivity, solid-state electrolytes with polarizable anions that weakly interact with mobile ions have received much attention, a recent example being lithium/sodium-rich antiperovskite MHCh (M = Li, Na; Ch = S, Se, Te). Herein, in order to clarify the role of anions in antiperovskites, the MFCh family, in which the polarizable H anion at the octahedral center is replaced by the ionic F anion, is investigated theoretically and experimentally. We unexpectedly found that the stronger attractive interaction between F and M ions does not slow down the M ion diffusion, with the calculated energy barrier being as low as that of MHCh.

Identification of B.1.346 Lineage of SARS-CoV-2 in Japan: Genomic Evidence of Re-entry of Clade 20C.

SARS-CoV-2 whole-genome sequencing of samples from COVID-19 patients is useful for informing infection control. Datasets of these genomes assembled from multiple hospitals can give critical clues to regional or national trends in infection. Herein, we report a lineage summary based on data collected from hospitals located in the Tokyo metropolitan area.

Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN).

The tetrahedral distortion of iron(ii) centres in the cyanide-bridged framework FePd(CN)4 was recently demonstrated experimentally. Here, we theoretically confirmed the electronically driven tetrahedral distortion of iron(ii) by comparing the density of states and total energies of FePd(CN)4 (d6) and ZnPd(CN)4 (d10). The calculation results suggested that a Jahn-Teller-like effect is caused on the tetrahedral geometry by the electronic effect of unequally occupied non-bonding 3d orbitals in the corresponding structure.

Extended thoracic endovascular aortic repair for residual aortic dissection after type A aortic dissection repair.

Objective: We investigated the outcomes of extended coverage of the descending thoracic aorta by thoracic endovascular aortic repair (TEVAR) for residual chronic type B aortic dissection after type A aortic dissection (TAAD) repair.

Methods: From November 2015 to August 2020, 36 patients underwent extended TEVAR for residual intimal tear after TAAD repair. We specifically investigated the methods and outcomes of this procedure.

[Generation of the Pseudo CT Image Based on the Deep Learning Technique Aimed for the Attenuation Correction of the PET Image].

Computed tomography (CT) is used for the attenuation correction (AC) of [F-18] fluoro-deoxy-glucose positron emission tomography (PET) image. However, acquisition of a CT image for this purpose requires increasing the radiation dose of the patient. To generate a pseudo-image, a generative adversarial network (GAN) based on deep learning is adopted.

Responsive Four-Coordinate Iron(II) Nodes in FePd(CN).

Metal node design is crucial for obtaining structurally diverse coordination polymers (CPs) and metal-organic frameworks with desirable properties; however, Fe ions are exclusively six-coordinated. Herein, we present a cyanide-bridged three-dimensional (3D) CP, FePd(CN) , bearing four-coordinate Fe ions, which is synthesized by thermal treatment of a two-dimensional (2D) six-coordinate Fe CP, Fe(H O) Pd(CN) ⋅4 H O, to remove water molecules. Atomic-resolution transmission electron microscopy and powder X-ray and neutron diffraction measurements revealed that the FePd(CN) structure is composed of a two-fold interpenetrated PtS topology network, where the Fe center demonstrates an intermediate geometry between tetrahedral and square-planar coordination.

Quantitative prediction of grain boundary thermal conductivities from local atomic environments.

Quantifying the dependence of thermal conductivity on grain boundary (GB) structure is critical for controlling nanoscale thermal transport in many technologically important materials. A major obstacle to determining such a relationship is the lack of a robust and physically intuitive structure descriptor capable of distinguishing between disparate GB structures. We demonstrate that a microscopic structure metric, the local distortion factor, correlates well with atomically decomposed thermal conductivities obtained from perturbed molecular dynamics for a wide variety of MgO GBs.

Successful Treatment of Giant Ascending Aortic Aneurysm with Takayasu Arteritis.

A 50-year-old man who suffered from dyspnea on effort with hearing loss was referred to our hospital. Computed tomography angiography revealed a giant 90-mm diameter ascending aortic aneurysm with severe calcification and neck vessel occlusion. Transthoracic echocardiography revealed moderate-to-severe aortic regurgitation.

Midterm outcome of aortic valve neocuspidization for aortic valve stenosis with small annulus.

Objective: At our institution, we actively perform aortic valve neocuspidization (AVNeo) for aortic valve stenosis (AS) with a small annulus. In this report, we aimed to evaluate the midterm outcome of AVNeo for AS with a small annulus.

Methods: From February 2011 to May 2017, we performed AVNeo for AS with a small annulus in 34 patients.

Aortic valve neocuspidization in patients under 65 years old.

Objective: We aimed to elucidate the surgical outcomes of aortic valve neocuspidization (AVNeo) in patients under 65 years old.

Methods: From December 2010 to February 2019, we performed AVNeo in a total of 168 patients. Of them, we evaluated 36 patients aged under 65 years.

Patterns of aortic remodelling after total arch replacement with frozen elephant trunk for acute aortic dissection.

Objectives: We investigated the outcomes of total arch replacement with frozen elephant trunk (FET) for Stanford type A acute aortic dissection and the patterns of postoperative aortic remodelling from computed tomographic (CT) findings.

Methods: From April 2015 to November 2018, we performed total arch replacement with FET for Stanford type A aortic dissection in 30 patients. Postoperative contrast-enhanced CT showed the position of the FET distal end, the number and the site of communications between the lumina and the presence or absence of aortic remodelling.

Impact of Novel Incorporation of CT-based Segment Mapping into a Conjugated Gradient Algorithm on Bone SPECT Imaging: Fundamental Characteristics of a Context-specific Reconstruction Method.

Objectives: The latest single-photon emission computed tomography (SPECT)/computed tomography (CT) reconstruction system, referred to as xSPECT Bone™, is a context-specific reconstruction system utilizing tissue segmentation information from CT data, which is called a zone map. The aim of this study was to evaluate the effects of zone-map enhancement incorporated into the ordered-subset conjugated gradient minimization (OSCGM) reconstruction method on SPECT images.

Methods: Image quality with zone-map enhanced OSCGM (OSCGMz) and non-enhanced OSCGM methods was compared using various reconstruction parameters.

Incidence of aspiration pneumonia during hospitalization in Japanese hospitalized cases did not increase whereas concern factors were exacerbated in a time-dependent manner: analysis of Diagnosis Procedure Combination (DPC) data.

This study aimed i) to investigate about items with high relevance for aspiration pneumonia during hospitalization among cases evaluated using Diagnosis Procedure Combination data, and ii) to determine whether the concern factors for aspiration pneumonia during hospitalization were exacerbated with the trend of the time. The Diagnosis Procedure Combination data were gathered from 2010 through to 2015 with 63,390 cases at Saga University Hospital. The occurrence of concern factors of aspiration pneumonia during hospitalization were compared in the two time periods set (2010-2012 and 2013-2015).

Early and mid-term results of isolated aortic valve neocuspidization in patients with aortic stenosis.

Objectives: This study aimed to elucidate the surgical outcome of aortic valve neocuspidization (AVNeo) in patients with aortic stenosis (AS).

Methods: From December 2010 to June 2017, we performed AVNeo for aortic valve pathologies in 144 patients. Of them, we evaluated 57 patients with AS who underwent AVNeo.

Quantifying Anharmonic Vibrations in Thermoelectric Layered Cobaltites and Their Role in Suppressing Thermal Conductivity.

Optimizing multiple materials properties which are simultaneously in competition with each other is one of the chief challenges in thermoelectric materials research. Introducing greater anharmonicity to vibrational modes is one strategy for suppressing phonon thermal transport in crystalline oxides without detrimentally affecting electronic conductivity, so that the overall thermoelectric efficiency can be improved. Based on perturbed molecular dynamics and associated numerical analyses, we show that CoO layers in layered cobaltite thermoelectrics NaCoO and CaCoO are responsible for most of the in-plane heat transport in these materials, and that the non-conducting intermediate layers in the two materials exhibit different kinds of anharmonicity.

Comparison of aortic annulus dimensions after aortic valve neocuspidization with those of normal aortic valve using transthoracic echocardiography.

Objectives: This study aimed to elucidate the physiological feasibility of aortic valve neocuspidization (AVNeo) by comparing the aortic annulus dimensions between patients after AVNeo and patients with normal aortic valves.

Methods: From December 2010 to October 2017, we performed AVNeo for various aortic valve pathologies in 147 patients. Of these patients, the aortic annulus dimensions were measured in 25 patients who underwent AVNeo for aortic valve disease as follow-up examination and compared with those measured in 15 patients who had normal aortic valves.