Comparison of Matlantis and VASP bulk formation and surface energies in metal hydrides, carbides, nitrides, oxides, and sulfides

Generic neural network potentials without forcing users to train potentials could result in significantly acceleration of total energy calculations. Takamoto et al. [Nat. Commun. (2022), 13, 2991] developed such a deep neural network potential (NNP) and made it available in their Matlantis package. We compared the Matlantis bulk formation, surface, and surface O vacancy formation energies of metal hydrides, carbides, nitrides, oxides, and sulfides with our previously calculated VASP values obtained from first-principles with the PBEsol(+U) functional. Matlantis bulk formation energies were consistently ~0.1 eV/atom larger and the surface energies were typically ~10 meV/{\AA}^2 smaller than the VASP counterpart. Surface O vacancy formation energies were generally underestimated within ~0.8 eV. These results suggest that Matlantis energies could serve as a relatively good descriptor of the VASP bulk formation and surface energies

Determination method of desk and table heights for disabled elderly

人間工学領域において,適切な机・テーブルの高さを決定する方法が成人を対象として見出されている.この既存方法が高齢障害者に拡大して適用できるのか,主観的及び客観的側面から検討した.無作為抽出した20名の高齢障害者を対象として,既存方法で合わせた机の高さと主観的判断によって決定した高さ,仕事効率に適した高さを比較した.その結果,差尺を座高の3分の1の値とする既存方法が高齢障害者にも適用できることが明らかとなった.また,この方法で決定する高さ付近に35mm～70mmの許容範囲が存在する可能性が示唆された.Objective : The purpose was to ascertain if a determination method of table heights founded on ergonomics could be applied to the disabled elderly, and to present the allowable range of table heights for them. Method : The subjects were twenty randomly selected disabled elderly. We measured favorite table heights for each of them. We divided work efficiency into speed and push strength, and then measured the appropriate height of tables for each of them. Results : Differences between table heights decided by the usual method and heights as decided by our 3 standards (favorite, speed, push strength) were not observed in any case. Moreover, no differences were seen among these 3 standards for determining table heights. For mean ±1SD, the perfectly overlapping range was 35 mm, and the maximum range was 70 mm. Conclusion : Table heights decided by the usual method and heights from 3 standards. We established that the method of determining seat-table distance by one third of the sitting height could be applied for disabled elderly. There is thus a possibility that the optimum allowable distance to the level of the table by the presently used method is 35 mm, and the maximum allowable range is 70 mm

Finding a physical environment desirable for elderly residential facilities : A survey of the literature

高齢者施設ではどのような物理的環境が好ましいとされているのか,という疑問を文献から調べた.情報収集はMEDLINE,医学中央雑誌,日本建築学会論文集などを使った.その結果,好ましい環境を設定するときの要点を設定方針,居住単位,テーブルや椅子の配置,室内インテリア,台所設備,感覚刺激,見当識,安全性,居室,空間構成,心理的環境としてまとめることができた.今回の調査から,わが国の高齢者施設環境には好ましい環境の観点から,いくつか問題点が存在することがわかった.今後,交流や活動を促す空間の設定方法や文化的様式に基づいた畳の設定などの効果について検討を進める必要性を導いた.This study aimed to investigate what settings provided desirable physical environments for elderly residential facilities. Information was retrieved from MEDLINE, the Japana Centra Revno Medicina and the Internet, and the articles were investigated. From this review, important concepts regarding physical environments and layouts based on prior research or experience were determined. Important concepts are goals of set up, living units, setting of tables and chairs, interior design, kitchen equipment, sensory stimulation, orientation, safety, private rooms, space organization, psychological environment. Our review of the literature indicated that some problems appear to currently exist within the environments of elderly residential facilities in Japan. We also identified subjects important for further examination, including the methods for setting up day rooms in large spaces, and how to incorporate cultural styling into a room setup

Preferential formation of (5S,6R)-thymine glycol for oligodeoxyribonucleotide synthesis and analysis of drug binding to thymine glycol-containing DNA

We previously reported the chemical synthesis of oligonucleotides containing thymine glycol, a major form of oxidative DNA damage. In the preparation of the phosphoramidite building block, the predominant product of the osmium tetroxide oxidation of protected thymidine was (5R,6S)-thymidine glycol. To obtain the building block of the other isomer, (5S,6R)-thymidine glycol, in an amount sufficient for oligonucleotide synthesis, the Sharpless asymmetric dihydroxylation (AD) reaction was examined. Although the reaction was very slow, (5S,6R)-thymidine glycol was obtained in preference to the (5R,6S) isomer. The ratio of (5S,6R)- and (5R,6S)-thymidine glycols was 2:1, and a trans isomer was also formed. When an ionic liquid, 1-butyl-3-methylimidazolium hexafluorophosphate, was used as a co-solvent, the reaction became faster, and the yield was improved without changing the preference. The phosphoramidite building block of (5S,6R)-thymidine glycol was prepared, and oligonucleotides containing 5S-thymine glycol were synthesized. One of the oligonucleotides was used to analyze the binding of distamycin A to thymine glycol-containing DNA by Circular dichroism (CD) spectroscopy and surface plasmon resonance (SPR) measurements. Distamycin A bound to a duplex containing either isomer of thymine glycol within the AATT target site, and its binding was observed even when the thymine glycol was placed opposite cytosine

THE FRICTIONAL COEFFICIENTS IN TI-NB ALLOY

Objectives: To determine the frictional force (FF) of the novel, elastic, bendable titanium-niobium (Ti-Nb) alloy orthodontic wire in stainless steel (SS) brackets and to compare it with those of titanium-nickel (Ti-Ni) and titanium-molybdenum (Ti-Mo) alloy wires. Materials and Methods: Three sizes of Ti-Nb, Ti-Ni, and Ti-Mo alloy wires were ligated with elastic modules to 0.018-inch and 0.022-inch SS brackets. The dynamic FFs between the orthodontic wires and SS brackets were measured at three bracket-wire angles (0゜, 5゜, and 10゜) with an Instron 5567 loading apparatus (Canton, Mass). Results: FFs increased gradually with the angle and wire size. In the 0.018-inch-slot bracket, the dynamic FFs of Ti-Nb and Ti-Ni alloy wires were almost the same, and those of the Ti-Mo alloy wire were significantly greater (P<0.05). FF values were 1.5–2 times greater in the 0.022-inch-slot bracket than in the 0.018-inch-slot bracket, regardless of alloy wire type, and the Ti-Mo alloy wire showed the greatest FF. Scanning electric microscopic images showed that the surface of the Ti-Mo alloy wire was much rougher than that of the Ti-Ni and Ti-Nb alloy wires. Conclusion: These findings demonstrate that the Ti-Nb alloy wire has almost the same frictional resistance as the Ti-Ni alloy wire, although it has a higher elastic modulus

Combined use of an epidural cooling catheter and systemic moderate hypothermia enhances spinal cord protection against ischemic injury in rabbits

BackgroundEpidural placement of a cooling catheter can protect against ischemic spinal cord injury. With the use of rabbits, we investigated whether this epidural cooling technique, when combined with systemic moderate hypothermia, can protect the spinal cord against ischemic metabolic stress.MethodsNew Zealand white rabbits (n = 28) were assigned to 1 of 4 different groups. Animals underwent abdominal aortic occlusion for 30 minutes using a 3F balloon catheter. Group 1 (n = 7) underwent epidural cooling by the catheter and systemic moderate hypothermia (35°C) induced with a cooling blanket. Group 2 (n = 7) underwent epidural cooling under systemic normothermia (38.5°C). Group 3 (n = 7) underwent systemic moderate hypothermia (35°C) without epidural cooling. Group 4 (n = 7) underwent neither epidural nor blanket cooling as a negative control. Neurologic status of their hind limbs was graded according to the modified Tarlov scale at 1, 2, and 7 days after surgery.ResultsDuring infrarenal aortic ischemia, epidural temperature was significantly lower in group 1 (18.5°C ± 0.8°C) than in group 2 (28.6°C ± 1.0°C; P = .0001), group 3 (34.2°C ± 0.06°C; P = .0001), or group 4 (38.5°C ± 0.2°C; P = .0001). Hind limb function recovery was greater in group 1 (mean Tarlov score, 4.9 ± 0.057) than in group 2 (2.6 ± 0.3; P = .0028), group 3 (2.1 ± 0.34; P = .0088), or group 4 (0.0 ± 0.0; P = .0003).ConclusionsEpidural cooling catheter combined with systemic moderate hypothermia produced additive cooling ability and protected the spinal cord against ischemia in rabbits more effectively than either intervention alone

Hemopoietic cell kinase (Hck) and p21-activated kinase 2 (PAK2) are involved in the down-regulation of CD1a lipid antigen presentation by HIV-1 Nef in dendritic cells

AbstractDendritic cells (DCs) play a major role in in vivo pathogenesis of HIV-1 infection. Therefore, DCs may provide a promising strategy to control and eventually overcome the fatal infection. Especially, immature DCs express all CD1s, the non-MHC lipid antigen -presenting molecules, and HIV-1 Nef down-regulates CD1 expression besides MHC. Moreover, CD1d-restricted CD4+ NKT cells are infected by HIV-1, reducing the number of these cells in HIV-1-infected individuals. To understand the exact role of DCs and CD1-mediated immune response during HIV-1 infection, Nef down-regulation of CD1a-restricted lipid/glycolipid Ag presentation in iDCs was analyzed. We demonstrated the involvement of the association of Nef with hemopoietic cell kinase (Hck) and p21-activated kinase 2 (PAK2), and that Hck, which is expressed strongly in iDCs, augmented this mutual interaction. Hck might be another therapeutic target to preserve the function of HIV-1 infected DCs, which are potential reservoirs of HIV-1 even after antiretroviral therapy

Distribution and Endocrine Morphology of Polypeptide YY (PYY) Containing Cells in the Human Gut

Using human materials, the distribution of PYY containing cells was determined by immunocytochemical methods and discussion was made on their morphological endocrinology. PYY cells were fairly numerous in the lower gastrointestinal tract of man, particularly in the colon and rectum. The cells were also present in the pancreas and duodenum but quite rarely. PYY cells were not observed at all in the lower part of the esophagus, stomach and gall bladder. Their peculiar and characteristic shapes as well as distribution suggest that PYY may have some action (probably specific) on the function of the distal gastrointestinal tract