• 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.

• Composites Research
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• v.19 no.4
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• pp.31-38
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• 2006

In this study, effects of curing temperature and autofrettage pressure on a Type 3 cryogenic propellant tank, which is composed of composite hoop/helical layers and a metal liner, were investigated by thermo elastic analysis and composite/aluminum ring specimen tests. Temperature field of a Type 3 tank was obtained from solving the heat transfer problem and, in turn, was used as nodal temperature boundary conditions during the elastic analyses for curing temperature and autofrettage pressure effects. As a result, it was shown that the higher curing temperature was, the more residual compressive stress and tensile stress were induced in composites and metal liner, respectively. On the contrary, autofrettage pressure brought the reduction of these residual thermal stresses caused by cryogenic environments to the tank structure. This tradeoff for curing temperature and autofrettage pressure must be considered in the design and manufacturing stages for a Type 3 cryogenic tank.

• Analytical Science and Technology
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• v.20 no.4
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• pp.339-346
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• 2007

To search the ninhydrin derivatives that have high chromogenic and fluorogenic properties, molecular holographic quantitative structure property relationship (HQSPR) models on the reactivity between glycine and ninhydrin analogues as latent fingerprint detector were derived and investigated quantitatively. The ${\varepsilon}LUMO$ (e.v.) energy of ninhydrin molecule was an important factor to reactivity of ninhydrin. And, it is suggested that the nucleophilic reaction by orbital-controlled reaction from the frontier molecular orbital (FMO) interaction between glycine and ninhydrin derivatives was more superior than that of electrophilic reaction by charged controlled reaction. The analytical results in atomic contribution maps also shows that the reactivity of ninhydrin was increased by meta-substituents as strong electron withdrawing groups on the benzo ring. Therefore, it is sugested by HQSPR and QSPR model that the 5,6-dinitroninhydrin molecule would increase the reactivity as much as three times as compared to none substituted ninhydrin molecule.

• The KIPS Transactions:PartA
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• v.11A no.1
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• pp.49-56
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• 2004

The performance of the multiprocessor systems is limited by the several factors. The system performance is affected by the processor speed, memory delay, and interconnection network bandwidth/latency. By the evolution of semiconductor technology, off the shelf microprocessor speed breaks beyond GHz, and the processors can be scalable up to multiprocessor system by connecting through the interconnection networks. In this situation, the system performances are bound by the latencies and the bandwidth of the interconnection networks. SCI, Myrinet, and Gigabit Ethernet are widely adopted as a high-speed interconnection network links for the high performance cluster systems. Performance improvement of the interconnection network can be achieved by the bandwidth extension and the latency minimization. Speed up of the operation clock speed is a simple way to accomplish the bandwidth and latency betterment, while its physical distance makes the difficulties to attain the high frequency clock. Hence the system performance and scalability suffered from the interconnection network limitation. Duplicating the link of the interconnection network is one of the solutions to resolve the bottleneck of the scalable systems. Dual-ring SCI link structure is an example of the interconnection network improvement. In this paper, I propose a network topology and a transaction path algorism, which optimize the latency and the efficiency under the duplicated links. By the simulation results, the proposed structure shows 1.05 to 1.11 times better latency, and exhibits 1.42 to 2.1 times faster execution compared to the dual ring systems.

• Journal of the Korean Society of Radiology
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• v.14 no.1
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• pp.15-22
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• 2020

PET(Positron Emission Tomography) devices are used as PET/CT or PET/MRI devices fused with the devices of CT or MRI for obtaining anatomical information. Therefore, the devices are constructed in circular ring-type structure whose length of gantry(the main part of filming) becomes wider and the interior depth becomes longer in comparison to other common medical equipments. scintillator, one of the components in PET devices, is inside the gantry, and as it is consisted of crystal which is sensitive to the change of temperature and humidity, large temperature change can cause the scintillator to be damaged. Though scintillator located inside the gantry maintains temperature and humidity with a thermo-hygrostat, changes in temperature and humidity are expected due to structural reasons. The output value was measured by dividing the inside of the gantry of the PET/CT device into six zones, each of which an Adafruit BME 280 temperature and humidity sensor was placed at. A thermo-hygrostat keeps the temperature and humidity constant in the PET/CT room. As the measured value of temperature and humidity of the sensor was obtained, the measured value of temperature and humidity appeared in the thermohygrostat was taken at the same time. Comparing the average measured values of temperature and humidity measured at each six zones with the average values of the thermo-hygrostat results in a difference of 2.71℃ in temperature and 21.5% in humidity. The measured temperature and humidity of PET Gantry is out of domestic quality control range. According to the results of the study, if there is continuous change in temperature and humidity in the future, the aging of the scintillator mounted in the PET Gantry is expected to be aging, so it is necessary to find a way to properly maintain the temperature and humidity inside the Gantry structure.

• Korean Journal of Crystallography
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• v.15 no.2
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• pp.59-68
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• 2004

Three crystal structures of dehydrated partially $Co^{2+}-exchanged$ zeolite A treated with 0.6 Torr of K at $300^{\circ}C$ (for 12 hrs, 6 hrs, and 2 hrs) vapor have been determined by single-crystal X-ray diffraction techniques in the cubic space group Pm3m at 21(1)$^{\circ}C(a=12.181(1)\;{\AA},\;a=12.184(1)\;{\AA},\;and\;a=12.215(1)\;{\AA})\;respectively)$. Their structures were refined to the final error indices, R(weight) of 0.090 with 10 reflections, 0.091 with 82 reflections, and 0.090 with 80 reflections, respectively, for which $1>\sigma(I)$. In each structure, all four $Co^{2+}$ and four $Na^+$ ions to be reduced by K atoms. The cobalt and sodium atoms produced are no longer found in the zeolite. K species are found at five different crystallographic sites: three $K^+$ ions lie at the planes of 8-rings, filling that position, ca. 11.5 K^+$ ions lie on threefold axes, ca. 4.0 in the large cavity and ca. 4.0 in the sodalite cavity, and ca. 0.5 $K^+$ ion is found near a 4-ring. ca. three $K^0$ atoms are found deep into the large cavity on threefold axes. In these structures, crystallographic results show that cationic tetrahedral $K_4$ (and/or triangular $K_3$) clusters have formed in the sodalites of zeolite A. The $K_4$ and/or $K_3$ clusters coordinate trigonally to three oxygens of a six-oxygen ring. The partially reduced ions of these clusters interact primarily with oxygen atoms of the zeolite structure rather than with each other. ca. 14.5K species are found per unit cell, more than the twelve $K^+$ ions needed to balance the anionic charge of zeolite framework, indicating that sorption of $K^0$ has occurred. The three $K^0$ atoms in the large cavity are closely associated with three out of four $K^+$ ions in the large cavity to form $K_7^{4+}$ clusters. The $K_7^{4+}$ cluster not interacts primarily with framework oxygens.

• Journal of the Mineralogical Society of Korea
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• v.4 no.1
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• pp.22-31
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• 1991

Three crystal structures of dehydrated $Ag^+$-and $Ca^{2+}$- exchanged zeolite $A(Ag_4Ca_4-A,\;Ag_^Ca_3-A,\;and\;Ag_8Ca_2-A)$ treated at 250${\circ}C$ with 0.1 Torr of Rb vapor have been determined by single-crystal x-ray diffraction techniques in the cubic space group Pm3m at 21(1)${\circ}C$ (a=12,271(1)${\AA}$, 12.255(1)${\AA}$, and 12.339(1)${\AA}$, respectively). Their structures were refined to the final error indices. R(weighted) of 0.072 with 130 reflections, 0.050 with 110 reflections, and 0.083 with 86 reflections, respectively, for which $I>3{\rho}(I)$. In each structure, Rb species are found at three different crystallographic sites:3$Rb^+$+ions per unit cell are located at 8-ring centers, ca. 5.6 to 6.4 $Rb^+$ ions are found opposite 6-rings on threefold axes in the large cavity, and ca. 2.5 to 3.0 $Rb^+$ ions are found on threefold axes in the sodalite unit. Also, Ag species are found at two different crystallographic stites: ca. 0.7 to 2.1 $Ag^+$ lie opposite 4-rings and ca. 2.2 to 4.8 Ag atoms are located near the center of the large cavity. In these structures, the numbers of Ag atoms per unit cell are 2.2, 2.4, and 4.8, respectively, and these may form hexasilver clusters at the centers of the large cavities. The $Rb^+$ ions, by blocking 8-rings, may have prevented silver from migrating out of the structure. Each hexasilver cluster is stabilized by coordination to up to 13 $Rb^+$ions. An excess absorption of about 0.8 Rb atom per unit cell indicates that the presence of a triangular symmetric $(Rb_3)2^{+}$ cation in sodalite cavity. At least one large-cavity six-ring $Rb^+$ ion must necessarily approach this cluster and may be viewed as a member of it to give $(Rb)_4^{3+}$, $(Rb)_5^{4+}$ or $(Rb)_6^{5+}$.

• Polymer(Korea)
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• v.32 no.4
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• pp.340-346
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• 2008

The aim of this study is to understand the effect of structure on the dispersion of both CNT and GNF in the phase of synthesized polyurethanes matrix. Various CNT/PU and GNF/PU composite films were prepared. Polyurethane having a different hard segment was blended with both CNT and GNF. PU having HDI as hard segment showed good dispersion with both CNT and GNF because of their linear structural character and molecular kinesis while PU having aromatic ring showed poor dispersion with those due to their structural complexity. Structural effect also induced the increase of its electro conductivity. The PU/CNT composite showed a bad dispersion (because of phase separation between PU matrix and CNT) but good electro conductivity at its surface (because CNT was collected on the surface of composite film due to low density of CNT). PU/CNT and PU/GNF composite films have quite low normalized sheet resistance value compared with silver/PU nanocomposite film because the fiber type filler could have much more contact points than that of sphere shaped silver particles have.

• Journal of the Korean Chemical Society
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• v.37 no.5
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• pp.473-476
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• 1993

Dipropargyldiphenylmetane, $C_{19}H_{16}, crystallizes in a monoclinic space group $C2/_c$$ with a = 11304(3), b = 20.799(5), c = 6.622(2)${\AA}$, ${\beta} = 112.8(3)^{\circ}$, Z = 4, V = 1435.3${\AA}^3,\;F(000)\;=\;520,\;D_c\;=\;1.14g{\cdot}cm^{-3}$ and ${\mu}\;=\;0.32\;cm^{-1}$. The structure was solved by direct methods and all non-H atoms were identified in the E-map. The final refinement gave R = 0.055 from 1328 unique observed reflections with I $\geq$ -1.0 $\sigma(I).$ The molecule belongs to the point group $C_2$ of Symmetry by possessing the 2-fold axis which coincides witeh the crystallographic symmetry axis in the unit cell. The linear propargyl moiety is nearly $perpendicular(94.2)^{\circ}$ to the molecular plane of the benzene ring. The internal angle of methane carbon atoms in $108.1(1)^{\circ}$, bonding to the benzene and the propargyl moiety with the bond lengths of 1.530(2) and $1.560(2)\AA$, respectively. The shortest contant between the molecules is $3.538(2)\AA$ between C(9) and C(9) (-x, y, -1/2-z).

• Journal of the Mineralogical Society of Korea
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• v.6 no.2
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• pp.116-121
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• 1993

A single crystla of zeolite $Na_{78}Rb_{28}-X$ (approximate composition) was prepared by exposing $Na_{92}-X$ at $350^{\circ}C$ to 0.1 Torr of rubidium vapor, and its structure was determined by single-crystal x-ray diffraction methods in the cubic space group, Fd3, ${\alpha}=25.045(4){\AA}$. The structure was refined to the final error indices $R_1=0.082$ and $R_2=0.084$ with 353 for which I>$3{\sigma}(I)$. Only about 28 of the 92 $Na^+$ ions per unit cell were reduced and only about 14 of the 28 $Na^0$ atoms produced were retained within the zeolite. A $Na_5{^{4+}}$ cluster is present within each sodalite cavity. It is a centered tetrahedron (like $CH_4$) with bond $length=2.80(2){\AA}$ and angle tetrahedral by symmetry, and shows the full symmetry of its site. $T_d$, at the center of the sodalite cavity. Each of the four terminal atoms of the $Na_5{^{4+}}$ cluster bond to three framework oxygens at $2.36(2){\AA}$. At the centers of some double 6-rings are sodium atoms which bridge linearly between $Na_5{^{4+}}$ clusters to form agglomerations such as short zig-zag chains $Na_5{^{4+}}$ clusters. Delocalized electrons, located primarily on the sodiums at centers of the sodalite and (likely) double-six-ring cavities, contribute to the stability of the clusters.