• Title/Summary/Keyword: Potential barrier

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MNDO Studies on Intramolecular Proton Transfer Equilibria of Acetamide and Methyl Carbamate$^1$

  • Lee, Ik-Choon;Kim, Chang-Kon;Seo, Heon-Su
    • Bulletin of the Korean Chemical Society
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    • v.7 no.5
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    • pp.395-399
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    • 1986
  • Intramolecular proton transfer equilibria of acetamide and methyl carbamate have been studied theoretically by MNDO MO method. For both substrates, carbonyl-O protonated tautomer was found to be the most stable form, the next most stable one being N-protonated form. Gas phase proton transfers take place by the 1,3-proton rearrangement process and in all cases have prohibitively high activation barriers. When however one solvate water molecule participates in the process, the barriers are lowered substantially and the process proceeds in an intermolecular manner through the intermediacy of the water molecule via a triple-well type potential energy surface; three wells correspond to reactant(RC), intermediate(IC) and product complex(PC) of proton donor-acceptor pairs whereas two transition states(TS) have proton-bridge structure. General scheme of the process can be represented for a substrate with two basic centers(heteroatoms) of A and B as, $$ABH\limits^+\;+\;H_2O\;{\to}\;ABH\limits^+{\cdots}{\limits_{RC}}OH_2\;{\to}\;AB{\cdots}H\limits_{TS}^+{\cdots}{\limits_{1}}OH_2\;{\to}\;AB{\cdots}{\limits_{IC}}H\limits^+OH_2\;{\to}\;BA{\cdots}H\limits_{TS}^+{\cdots}{\limits_{2}}OH_2\;{\to}\;BA H\limits^+{\cdots}{\limits_{PC}}OH_2\;{\to}\;BAH\limits^+\;+\;H_2O$$ Involvement of a second solvate water had negligible effect on the relative stabilities of the tautomers but lowered barrier heights by 5∼6 Kcal/mol. It was calculated that the abundance of the methoxy-O protonated tautomer of the methyl carbamate will be negligible, since the tautomer is unfavorable thermodynamically as well as kinetically. Fully optimized stationary points are reported.

Doping Effect of Yb2O3 on Varistor Properties of ZnO-V2O5-MnO2-Nb2O5 Ceramic Semiconductors

  • Nahm, Choon-Woo
    • Korean Journal of Materials Research
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    • v.29 no.10
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    • pp.586-591
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    • 2019
  • This study describes the doping effect of $Yb_2O_3$ on microstructure, electrical and dielectric properties of $ZnO-V_2O_5-MnO_2-Nb_2O_5$ (ZVMN) ceramic semiconductors sintered at a temperature as low as $900^{\circ}C$. As the doping content of $Yb_2O_3$ increases, the ceramic density slightly increases from 5.50 to $5.54g/cm^3$; also, the average ZnO grain size is in the range of $5.3-5.6{\mu}m$. The switching voltage increases from 4,874 to 5,494 V/cm when the doping content of $Yb_2O_3$ is less than 0.1 mol%, whereas further doping decreases this value. The ZVMN ceramic semiconductors doped with 0.1 mol% $Yb_2O_3$ reveal an excellent nonohmic coefficient as high as 70. The donor density of ZnO gain increases in the range of $2.46-7.41{\times}10^{17}cm^{-3}$ with increasing doping content of $Yb_2O_3$ and the potential barrier height and surface state density at the grain boundaries exhibits a maximum value (1.25 eV) at 0.1 mol%. The dielectric constant (at 1 kHz) decreases from 592.7 to 501.4 until the doping content of $Yb_2O_3$ reaches 0.1 mol%, whereas further doping increases it. The value of $tan{\delta}$ increases from 0.209 to 0.268 with the doping content of $Yb_2O_3$.

Clinical outcomes of a low-cost single-channel myoelectric-interface three-dimensional hand prosthesis

  • Ku, Inhoe;Lee, Gordon K.;Park, Chan Yong;Lee, Janghyuk;Jeong, Euicheol
    • Archives of Plastic Surgery
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    • v.46 no.4
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    • pp.303-310
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    • 2019
  • Background Prosthetic hands with a myoelectric interface have recently received interest within the broader category of hand prostheses, but their high cost is a major barrier to use. Modern three-dimensional (3D) printing technology has enabled more widespread development and cost-effectiveness in the field of prostheses. The objective of the present study was to evaluate the clinical impact of a low-cost 3D-printed myoelectric-interface prosthetic hand on patients' daily life. Methods A prospective review of all upper-arm transradial amputation amputees who used 3D-printed myoelectric interface prostheses (Mark V) between January 2016 and August 2017 was conducted. The functional outcomes of prosthesis usage over a 3-month follow-up period were measured using a validated method (Orthotics Prosthetics User Survey-Upper Extremity Functional Status [OPUS-UEFS]). In addition, the correlation between the length of the amputated radius and changes in OPUS-UEFS scores was analyzed. Results Ten patients were included in the study. After use of the 3D-printed myoelectric single electromyography channel prosthesis for 3 months, the average OPUS-UEFS score significantly increased from 45.50 to 60.10. The Spearman correlation coefficient (r) of the correlation between radius length and OPUS-UEFS at the 3rd month of prosthetic use was 0.815. Conclusions This low-cost 3D-printed myoelectric-interface prosthetic hand with a single reliable myoelectrical signal shows the potential to positively impact amputees' quality of life through daily usage. The emergence of a low-cost 3D-printed myoelectric prosthesis could lead to new market trends, with such a device gaining popularity via reduced production costs and increased market demand.

Evaluation of Nonthermal Plasma Treatment by Measurement of Stored Citrus Properties

  • Seo, Youngwook;Park, Jong-Ryul;Park, Hoe Man
    • Journal of Biosystems Engineering
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    • v.43 no.4
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    • pp.401-409
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    • 2018
  • Decay of fruit is one of the greatest issues in fruit storage. Purpose: In this study, citrus sterilization was performed to evaluate a dry sterilization method using an atmospheric-pressure nonthermal plasma treatment based on a dielectric-barrier discharge technique. Methods: Citrus samples were stored under four different environmental conditions as follows: group A had cold storage with plasma treatment with a temperature of $6.2{\pm}1.0^{\circ}C$ and relative humidity (RH) of $93.4{\pm}8.2%$, group B had ambient-temperature storage with $22.9{\pm}2.3^{\circ}C$ and $82.1{\pm}4.5%$ RH, group C ambient-temperature storage with plasma treatment with $25.3{\pm}2.2^{\circ}C$ and $90.0{\pm}2.8%$ RH, and group D had cold storage with $5.7{\pm}1.0^{\circ}C$ and $93.4{\pm}6.5%$ RH. Results: As a result of citrus surface sterilization by plasma treatment, treatment groups A and C together showed an average of 16.1 CFU/mL of mold colonies, while control groups B and D showed an average of $2.2{\times}10^2CFU/mL$ or approximately 13 times greater than the treatment groups. Regarding the mean concentration of aerobic bacteria colonies, the treatment groups (A and C) and control groups (B and D) showed an average of 7.1 CFU/mL and $1.9{\times}10^3CFU/mL$, respectively. This is approximately a 270-fold difference in the concentration of pathogen colonies between treatment and control groups. Conclusions: The results showed the potential of nonthermal plasma treatment for citrus storage in enhancing storage duration and quality preservation.

Effect of Vapor Deposition on the Interdiffusion Behavior between the Metallic Fuel and Clad Material (금속연료-피복재 상호확산 거동에 미치는 기상증착법의 영향)

  • Kim, Jun Hwan;Lee, Byoung Oon;Lee, Chan Bock;Jee, Seung Hyun;Yoon, Young Soo
    • Korean Journal of Metals and Materials
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    • v.49 no.7
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    • pp.549-556
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    • 2011
  • This study aimed to evaluate the performance of diffusion barriers in order to prevent fuel-cladding chemical interaction (FCCI) between the metallic fuels and the cladding materials, a potential hazard for nuclear fuel in sodium-cooled fast reactors. In order to prevent FCCI, Zr or V metal is deposited on the ferritic-martensitic stainless steel surface by physical vapor deposition with a thickness up to $5{\mu}m$. The diffusion couple tests using uranium alloy (U-10Zr) and a rare earth metal such as Ce-La alloy and Nd were performed at temperatures between 660~800$^{\circ}C$. Microstructural analysis using SEM was carried out over the coupled specimen. The results show that significant interdiffusion and an associated eutectic reaction ocurred in the specimen without a diffusion barrier. However, with the exception of the local dissolution of the Zr layer in the Ce-La alloy, the specimens deposited with Zr and V exhibited superior eutectic resistance to the uranium alloy and rare earth metal.

Prototyping-based Design Process Integrated with Digital-Twin: A Fundamental Study (디지털 트윈 개념을 적용한 프로토타이핑 기반 디자인 프로세스: 기초연구)

  • Kim, Jin-Wooung;Kim, Sung-Ah
    • Journal of KIBIM
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    • v.9 no.4
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    • pp.51-61
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    • 2019
  • In the general manufacturing sector, prototyping used to reduce the risks that can arise with new conceptual products. However, in AEC area, it does not mass-produce a building, so the prototype itself becomes a building. Therefore, it is challenging to have prototyping of the same scale as the real thing, and the prototyping process in architecture is very inefficient. The prototyping process in the design stage typically assumes making a scaled model, partial model, or digital model. However, it is difficult for these models to correspond to the actual building and the environment of time and space such as scale, material, environment, load, physical properties and deformation, corrosion, etc., unlike the actual building. When using the digital twin concept in the prototyping process, it is possible to measure performance from the design stage to the operation stage. The digital twin was found by a method for monitoring based on physical twins and real-time linkage in the operation stage. Therefore, if the digital twin concept is applied at the design stage, it is possible to predict performance using not only current performance but also history information using real-time information. In order to apply the digital twin concept to the prototyping design process, we analyze the theoretical considerations and the prototyping design process of the digital twin, analyze the cases and research results where the prototyping design was applied, Provide an applied prototyping design process. The proposed process is tested through a pilot project and analyzed for potential use.

Short-Term Changes in Gut Microflora and Intestinal Epithelium in X-Ray Exposed Mice

  • Tsujiguchi, Takakiyo;Yamaguchi, Masaru;Yamanouchi, Kanako
    • Journal of Radiation Protection and Research
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    • v.45 no.4
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    • pp.163-170
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    • 2020
  • Background: Gut microflora contributes to the nutritional metabolism of the host and to strengthen its immune system. However, if the intestinal barrier function of the living body is destroyed by radiation exposure, the intestinal bacteria harm the health of the host and cause sepsis. Therefore, this study aims to trace short-term radiation-induced changes in the mouse gut microflora-dominant bacterial genus, and analyze the degree of intestinal epithelial damage. Materials and Methods: Mice were irradiated with 0, 2, 4, 8 Gy X-rays, and the gut microflora and intestinal epithelial changes were analyzed 72 hours later. Five representative genera of Actinobacteria, Firmicutes, and Bacteroidetes were analyzed in fecal samples, and the intestine was pathologically analyzed by Hematoxylin-Eosin and Alcian blue staining. In addition, DNA fragmentation was evaluated by the TdT-mediated dUTP nick-end labeling (TUNEL) assay. Results and Discussion: The small intestine showed shortened villi and reduced number of goblet cells upon 8 Gy irradiation. The large intestine epithelium showed no significant morphological changes, but the number of goblet cells were reduced in a radiation dose-dependent manner. Moreover, the small intestinal epithelium of 8 Gy-irradiated mice showed significant DNA damaged, whereas the large intestine epithelium was damaged in a dose-dependent manner. Overall, the large intestine epithelium showed less recovery potential upon radiation exposure than the small intestinal epithelium. Analysis of the intestinal flora revealed fluctuations in lactic acid bacteria excretion after irradiation regardless of the morphological changes of intestinal epithelium. Altogether, it became clear that radiation exposure could cause an immediate change of their excretion. Conclusion: This study revealed changes in the intestinal epithelium and intestinal microbiota that may pave the way for the identification of novel biomarkers of radiation-induced gastrointestinal disorders and develop new therapeutic strategies to treat patients with acute radiation syndrome.

Multivariable Integrated Evaluation of GloSea5 Ocean Hindcasting

  • Lee, Hyomee;Moon, Byung-Kwon;Kim, Han-Kyoung;Wie, Jieun;Park, Hyo Jin;Chang, Pil-Hun;Lee, Johan;Kim, Yoonjae
    • Journal of the Korean earth science society
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    • v.42 no.6
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    • pp.605-622
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    • 2021
  • Seasonal forecasting has numerous socioeconomic benefits because it can be used for disaster mitigation. Therefore, it is necessary to diagnose and improve the seasonal forecast model. Moreover, the model performance is partly related to the ocean model. This study evaluated the hindcast performance in the upper ocean of the Global Seasonal Forecasting System version 5-Global Couple Configuration 2 (GloSea5-GC2) using a multivariable integrated evaluation method. The normalized potential temperature, salinity, zonal and meridional currents, and sea surface height anomalies were evaluated. Model performance was affected by the target month and was found to be better in the Pacific than in the Atlantic. An increase in lead time led to a decrease in overall model performance, along with decreases in interannual variability, pattern similarity, and root mean square vector deviation. Improving the performance for ocean currents is a more critical than enhancing the performance for other evaluated variables. The tropical Pacific showed the best accuracy in the surface layer, but a spring predictability barrier was present. At the depth of 301 m, the north Pacific and tropical Atlantic exhibited the best and worst accuracies, respectively. These findings provide fundamental evidence for the ocean forecasting performance of GloSea5.

Clinical application of insect-based diet in canine allergic dermatitis

  • Lee, Kang-Il;Chae, Yeon;Yun, Taesik;Koo, Yoonhoi;Lee, Dohee;Kim, Hakhyun;So, Kyoung-Min;Cho, Woo Jae;Kim, Ha-Jung;Yang, Mhan-Pyo;Kang, Byeong-Teck
    • Korean Journal of Veterinary Research
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    • v.61 no.4
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    • pp.36.1-36.8
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    • 2021
  • The objective of this study was to evaluate the beneficial effects of the short-term application of insect-based diet in canine allergic dermatitis. Total 19 atopic dogs with concurrent cutaneous adverse food reactions were enrolled and classified into 3 groups. The treatment group (n = 7) was fed insect-based diet, the positive control group (n = 6) was fed salmon-based diet, and the negative control group (n = 6) was fed commercial or homemade diet for 12 weeks. The degree of skin lesions was evaluated based on canine atopic dermatitis extent and severity index (CADESI-4). Additionally, transepidermal water loss (TEWL) and pruritus visual analog scale were evaluated. All indices were evaluated every 4 weeks after the initial administration of hypoallergenic diets. In the treatment group, significant decrease in the CADESI-4 score was observed at 8 weeks compared to the baseline score (p = 0.031). There were significant differences in the CADESI-4 score between the groups at 8 weeks (p = 0.008), 12 weeks (p = 0.012), and TEWL at 12 weeks (p = 0.022). This preliminary result demonstrates the potential hypoallergenicity of an insect-based diet through features that diminish cutaneous lesions and skin barrier dysfunction.

Ginsenoside Rd protects cerebral endothelial cells from oxygen-glucose deprivation/reoxygenation induced pyroptosis via inhibiting SLC5A1 mediated sodium influx

  • Li, Suping;Yu, Nengwei;Xu, Fei;Yu, Liang;Yu, Qian;Fu, Jing
    • Journal of Ginseng Research
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    • v.46 no.5
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    • pp.700-709
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    • 2022
  • Background: Ginsenoside Rd is a natural compound with promising neuroprotective effects. However, the underlying mechanisms are still not well-understood. In this study, we explored whether ginsenoside Rd exerts protective effects on cerebral endothelial cells after oxygen-glucose deprivation/reoxygenation (OGD/R) treatment and its potential docking proteins related to the underlying regulations. Method: Commercially available primary human brain microvessel endothelial cells (HBMECs) were used for in vitro OGD/R studies. Cell viability, pyroptosis-associated protein expression and tight junction protein degradation were evaluated. Molecular docking proteins were predicted. Subsequent surface plasmon resonance (SPR) technology was utilized for validation. Flow cytometry was performed to quantify caspase-1 positive and PI positive (caspase-1+/PI+) pyroptotic cells. Results: Ginsenoside Rd treatment attenuated OGD/R-induced damage of blood-brain barrier (BBB) integrity in vitro. It suppressed NLRP3 inflammasome activation (increased expression of NLRP3, cleaved caspase-1, IL-1β and GSDMD-N terminal (NT)) and subsequent cellular pyroptosis (caspase-1+/PI + cells). Ginsenoside Rd interacted with SLC5A1 with a high affinity and reduced OGD/R-induced sodium influx and potassium efflux in HBMECs. Inhibiting SLC5A1 using phlorizin suppressed OGD/R-activated NLRP3 inflammasome and pyroptosis in HBMECs. Conclusion: Ginsenoside Rd protects HBMECs from OGD/R-induced injury partially via binding to SLC5A1, reducing OGD/R-induced sodium influx and potassium efflux, thereby alleviating NLRP3 inflammasome activation and pyroptosis.