• Title/Summary/Keyword: E.A.V.

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Microsecond molecular dynamics simulations revealed the inhibitory potency of amiloride analogs against SARS-CoV-2 E viroporin

  • Jaber, Abdullah All;Chowdhury, Zeshan Mahmud;Bhattacharjee, Arittra;Mourin, Muntahi;Keya, Chaman Ara;Bhuyan, Zaied Ahmed
    • Genomics & Informatics
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    • v.19 no.4
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    • pp.48.1-48.10
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    • 2021
  • Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) encodes small envelope protein (E) that plays a major role in viral assembly, release, pathogenesis, and host inflammation. Previous studies demonstrated that pyrazine ring containing amiloride analogs inhibit this protein in different types of coronavirus including SARS-CoV-1 small envelope protein E (SARS-CoV-1 E). SARS-CoV-1 E has 93.42% sequence identity with SARS-CoV-2 E and shared a conserved domain NS3/small envelope protein (NS3_envE). Amiloride analog hexamethylene amiloride (HMA) can inhibit SARS-CoV-1 E. Therefore, we performed molecular docking and dynamics simulations to explore whether amiloride analogs are effective in inhibiting SARS-CoV-2 E. To do so, SARS-CoV-1 E and SARS-CoV-2 E proteins were taken as receptors while HMA and 3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-pyrimidin-5-ylpyrazine-2-carboxamide (3A5NP2C) were selected as ligands. Molecular docking simulation showed higher binding affinity scores of HMA and 3A5NP2C for SARS-CoV-2 E than SARS-CoV-1 E. Moreover, HMA and 3A5NP2C engaged more amino acids in SARS-CoV-2 E. Molecular dynamics simulation for 1 ㎲ (1,000 ns) revealed that these ligands could alter the native structure of the proteins and their flexibility. Our study suggests that suitable amiloride analogs might yield a prospective drug against coronavirus disease 2019.

Comparison between Old and New Versions of Electron Monte Carlo (eMC) Dose Calculation

  • Seongmoon Jung;Jaeman Son;Hyeongmin Jin;Seonghee Kang;Jong Min Park;Jung-in Kim;Chang Heon Choi
    • Progress in Medical Physics
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    • v.34 no.2
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    • pp.15-22
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    • 2023
  • This study compared the dose calculated using the electron Monte Carlo (eMC) dose calculation algorithm employing the old version (eMC V13.7) of the Varian Eclipse treatment-planning system (TPS) and its newer version (eMC V16.1). The eMC V16.1 was configured using the same beam data as the eMC V13.7. Beam data measured using the VitalBeam linear accelerator were implemented. A box-shaped water phantom (30×30×30 cm3) was generated in the TPS. Consequently, the TPS with eMC V13.7 and eMC V16.1 calculated the dose to the water phantom delivered by electron beams of various energies with a field size of 10×10 cm2. The calculations were repeated while changing the dose-smoothing levels and normalization method. Subsequently, the percentage depth dose and lateral profile of the dose distributions acquired by eMC V13.7 and eMC V16.1 were analyzed. In addition, the dose-volume histogram (DVH) differences between the two versions for the heterogeneous phantom with bone and lung inserted were compared. The doses calculated using eMC V16.1 were similar to those calculated using eMC V13.7 for the homogenous phantoms. However, a DVH difference was observed in the heterogeneous phantom, particularly in the bone material. The dose distribution calculated using eMC V16.1 was comparable to that of eMC V13.7 in the case of homogenous phantoms. The version changes resulted in a different DVH for the heterogeneous phantoms. However, further investigations to assess the DVH differences in patients and experimental validations for eMC V16.1, particularly for heterogeneous geometry, are required.

HIGH DIMENSION PRUFER DOMAINS OF INTEGER-VALUED POLYNOMIALS

  • Cahen, Paul-Jean;Chabert, Jean-Luc;K.Alan Loper
    • Journal of the Korean Mathematical Society
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    • v.38 no.5
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    • pp.915-935
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    • 2001
  • Let V be any valuation domain and let E be a subset of the quotient field K of V. We study the ring of integer-valued polynomials on E, that is, Int(E, V)={f$\in$K[X]|f(E)⊆V}. We show that, if E is precompact, then Int(E, V) has many properties similar to those of the classical ring Int(Z).In particular, Int(E, V) is dense in the ring of continuous functions C(E, V); each finitely generated ideal of Int(E, V) may be generated by two elements; and finally, Int(E, V) is a Prufer domain.

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Synthesis and Photovoltaic Properties of Low Band Gap π-conjugated Polymers Based on 2-pyran-4-ylidene-malononitrile Derivatives (2-pyran-4-ylidene-malononitrile을 기본으로 하는 작은 Band Gap을 가지는 공중합체의 합성 및 광전변환 특성)

  • You, Hyeri;Shin, Woong;Park, Jeong Bae;Park, Sang Jun;Lim, Jun Heok;Kim, Joo Hyun
    • Applied Chemistry for Engineering
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    • v.20 no.3
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    • pp.273-278
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    • 2009
  • A series of poly[2-(2,6-dimethylpyran-4-ylidene)malononitrile-alt-1,4-bis(dodecyloxy)-2,5-divinylbenzene] (PM-PPV), poly[2-{2,6-Bis-[2-(5-bromothiophen-2-yl)-vinyl]-pyran-4-ylidene}-malononitrile-alt-1,4-bis(dodecyloxy)-2,5-divinylbenzene] (PMT-PPV) and poly[2-[2,6-Bis-(2-{4-[(4-bromophenyl)-phenylamino]-phenyl}-vinyl)-pyran-4-ylidene]-malononitrile-alt-1,4-bis(dodecyloxy)-2,5-divinylbenzene] (PMTPA-PPV) were synthesized by the Heck coupling reaction. The band gap of PM-PPV, PMT-PPV and PMTPA-PPV were 2.18 eV, 1.90 eV and 2.07 eV, respectively. The LUMO energy levels of PM-PPV, PMT-PPV and PMTPA-PPV were 3.65 eV, 3.54 eV and 3.62 eV, respectively and the HOMO energy levels of those were 5.83 eV, 5.61 eV and 5.52 eV, respectively. The photovoltaic devices based on the polymers was fabricated. The efficiency of the solar cells based on PM-PPV, PMT-PPV and PMTPA-PPV were 0.028%, 0.031% and 0.11%, respectively and the open circuit voltage (Voc) was 0.59 V~0.69 V under AM 1.5 G and 1 sun condition ($100mA/cm^2$).

Combustion Characteristics of E.V.A., Rubber Waste Treatment by Fixed-Bed Incinerator. (E.V.A., 고무폐기물 소각에 따른 폐가스 처리의 연구)

  • Bae, Byung-Hoon;Jang, Seong-Ho;Lim, Gyoung-Teck
    • Journal of Environmental Science International
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    • v.5 no.2
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    • pp.221-227
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    • 1996
  • The objectives of this study are to examine combustion characteristics of E.V.A. and rubber wastes by fixed-bed incinerator, The results are as follows. Combustion temperature with time rises rapidly, and mass of E.V.A. reduces at short time in E.V.A. combustion. In variation of air-fuel ratio (m), ice ideal values of m of E.V.A. and rubber are 2.5, 1.5 respectively. Mixed-waste combustion is more economic than single E.V.A. combustion, because we can get high combustion efficiency (94.0~99.0%) at 2.0 air-fuel ratio of mixed-waste combustion. Removal efficiencies of SO2 at cooling tower are about 20%. The combustion efficiencies of rubber are over 98.0% according to the experimental conditions.

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A study on thermally stimulatede current in semi-insulating GaAs (반절연성 GaAs에서 열자극 전류에 관한 연구)

  • 배인호;김기홍;김인수;최현태;이철욱;이정열
    • Electrical & Electronic Materials
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    • v.7 no.5
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    • pp.383-388
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    • 1994
  • Deep levels in semi-insulating GaAs were observed by thermally stimulated current(TSC) measurement In the temperature ranges of 100-300K Tl(E$\_$c/-0.18eV), T2(E$\_$c/-0.20eV), T3(E$\_$c/-0.31eV), T4(E$\_$c/-0.40eV), and T5(E$\_$c/-O.43eV) traps have been observed. The TI, T2, and T5 traps seem to be related to the V$\_$As/, V$\_$Ga/-complex, and As$\_$Ga/$\^$++/ respectively. T4 trap is considered with respect to V$\_$Ga/-V$\_$As/ complex.

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Signed degree sequences in signed 3-partite graphs

  • Pirzada, S.;Dar, F.A.
    • Journal of the Korean Society for Industrial and Applied Mathematics
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    • v.11 no.2
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    • pp.9-14
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    • 2007
  • A signed 3-partite graph is a 3-partite graph in which each edge is assigned a positive or a negative sign. Let G(U, V, W) be a signed 3-partite graph with $U\;=\;\{u_1,\;u_2,\;{\cdots},\;u_p\},\;V\;=\;\{v_1,\;v_2,\;{\cdots},\;v_q\}\;and\;W\;=\;\{w_1,\;w_2,\;{\cdots},\;w_r\}$. Then, signed degree of $u_i(v_j\;and\;w_k)$ is $sdeg(u_i)\;=\;d_i\;=\;d^+_i\;-\;d^-_i,\;1\;{\leq}\;i\;{\leq}\;p\;(sdeg(v_j)\;=\;e_j\;=\;e^+_j\;-\;e^-_j,\;1\;{\leq}\;j\;{\leq}q$ and $sdeg(w_k)\;=\;f_k\;=\;f^+_k\;-\;f^-_k,\;1\;{\leq}\;k\;{\leq}\;r)$ where $d^+_i(e^+_j\;and\;f^+_k)$ is the number of positive edges incident with $u_i(v_j\;and\;w_k)$ and $d^-_i(e^-_j\;and\;f^-_k)$ is the number of negative edges incident with $u_i(v_j\;and\;w_k)$. The sequences ${\alpha}\;=\;[d_1,\;d_2,\;{\cdots},\;d_p],\;{\beta}\;=\;[e_1,\;e_2,\;{\cdots},\;e_q]$ and ${\gamma}\;=\;[f_1,\;f_2,\;{\cdots},\;f_r]$ are called the signed degree sequences of G(U, V, W). In this paper, we characterize the signed degree sequences of signed 3-partite graphs.

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A NEW VERTEX-COLORING EDGE-WEIGHTING OF COMPLETE GRAPHS

  • Farahani, Mohammad Reza
    • Journal of applied mathematics & informatics
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    • v.32 no.1_2
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    • pp.1-6
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    • 2014
  • Let G = (V ; E) be a simple undirected graph without loops and multiple edges, the vertex and edge sets of it are represented by V = V (G) and E = E(G), respectively. A weighting w of the edges of a graph G induces a coloring of the vertices of G where the color of vertex v, denoted $S_v:={\Sigma}_{e{\ni}v}\;w(e)$. A k-edge-weighting of a graph G is an assignment of an integer weight, w(e) ${\in}${1,2,...,k} to each edge e, such that two vertex-color $S_v$, $S_u$ be distinct for every edge uv. In this paper we determine an exact 3-edge-weighting of complete graphs $k_{3q+1}\;{\forall}_q\;{\in}\;{\mathbb{N}}$. Several open questions are also included.

Effects of exploration and molecular mechanism of CsV on eNOS and vascular endothelial functions

  • Zuo, Deyu;Jiang, Heng;Yi, Shixiong;Fu, Yang;Xie, Lei;Peng, Qifeng;Liu, Pei;Zhou, Jie;Li, Xunjia
    • Advances in nano research
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    • v.12 no.5
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    • pp.501-514
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    • 2022
  • This study aimed to investigate the effects and potential mechanisms of Chikusetsusaponin V (CsV) on endothelial nitric oxide synthase (eNOS) and vascular endothelial cell functions. Different concentrations of CsV were added to animal models, bovine aorta endothelial cells (BAECs) and human umbilical vein endothelial cells (HUVECs) cultured in vitro. qPCR, Western blotting (WB), and B ultrasound were performed to explore the effects of CsV on mouse endothelial cell functions, vascular stiffness and cellular eNOS mRNA, protein expression and NO release. Bioinformatics analysis, network pharmacology, molecular docking and protein mass spectrometry analysis were conducted to jointly predict the upstream transcription factors of eNOS. Furthermore, pulldown and ChIP and dual luciferase assays were employed for subsequent verification. At the presence or absence of CsV stimulation, either overexpression or knockdown of purine rich element binding protein A (PURA) was conducted, and PCR assay was employed to detect PURA and eNOS mRNA expressions, Western blot was used to detect PURA and eNOS protein expressions, cell NO release and serum NO levels. Tube formation experiment was conducted to detect the tube forming capability of HUVECs cells. The animal vasodilation function test detected the vasodilation functions. Ultrasonic detection was performed to determine the mouse aortic arch pulse wave velocity to identify aortic stiffness. CsV stimulus on bovine aortic cells revealed that CsV could upregulate eNOS protein levels in vascular endothelial cells in a concentration and time dependent manner. The expression levels of eNOS mRNA and phosphorylation sites Ser1177, Ser633 and Thr495 increased significantly after CsV stimulation. Meanwhile, CsV could also enhance the tube forming capability of HUVECs cells. Following the mice were gavaged using CsV, the eNOS protein level of mouse aortic endothelial cells was upregulated in a concentration- and time-dependent manner, and serum NO release and vasodilation ability were simultaneously elevated whereas arterial stiffness was alleviated. The pulldown, ChIP and dual luciferase assays demonstrated that PURA could bind to the eNOS promoter and facilitate the transcription of eNOS. Under the conditions of presence or absence of CsV stimulation, overexpression or knockdown of PURA indicated that the effect of CsV on vascular endothelial function and eNOS was weakened following PURA gene silence, whereas overexpression of PURA gene could enhance the effect of CsV upregulating eNOS expression. CsV could promote NO release from endothelial cells by upregulating the expression of PURA/eNOS pathway, improve endothelial cell functions, enhance vasodilation capability, and alleviate vessel stiffness. The present study plays a role in offering a theoretical basis for the development and application of CsV in vascular function improvement, and it also provides a more comprehensive understanding of the pharmacodynamics of CsV.

Design of 5V NMOS-Diode eFuse OTP IP for PMICs (PMIC용 5V NMOS-Diode eFuse OTP IP 설계)

  • Kim, Moon-Hwan;Ha, Pan-Bong;Kim, Young-Hee
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.10 no.2
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    • pp.168-175
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    • 2017
  • In this paper, a 5V small-area NMOS-diode eFuse OTP memory cell is proposed. This cell which is used in PMICs consists of a 5V NMOS transistor and an eFuse link as a memory part, based on a BCD process. Also, a regulated voltage of V2V ($=2.0V{\pm}10%$) instead of the conventional VDD is used to the pull-up loads of a VREF circuit and a BL S/A circuit to obtain a wider operational voltage range of the eFuse memory cell. When this proposed cells are used in the simulation, their sensing resistances are found to be $15.9k{\Omega}$ and $32.9k{\Omega}$, in the normal read mode and in the program-verify-read mode, respectively. Furthermore, the read current flowing through a non-blown eFuse is restricted to $97.7{\mu}A$. Thus, the eFuse link of a non-blown eFuse OTP memory cell is kept non-blown. The layout area of the designed 1kb eFuse OTP memory IP based on Dongbu HiTek's BCD process is $168.39{\mu}m{\times}479.45{\mu}m(=0.08mm^2)$.