• Bulletin of the Korean Chemical Society
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• 제3권1호
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• pp.9-13
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• 1982

Sulfametrole, $C_9H_{10}N_4O_3S_2$, crystallizes in the monoclinic system, space group $P2_1/n$ , with a = 8.145(2), b = 16.505(4), c = 9.637(1)${\AA},{\beta}=103.72(1)^{\circ},D_m=1.52gcm^{-3}$,Z=4.Intensities for 3594(2143 observed) unique reflections were measured on a four-circle diffractometer with Mo $K{\alpha}$ radiation $({\lambda}=0.71069{\AA})$. The structure was solved by direct method and refined by full-matrix least squares to a final R of 0.070. The geometrical features of the thiadiazole ring indicate some ${pi}$-electron delocalization inside the ring. The least squares planes defined by the benzene and thiadiazole rings are nearly perpendicular to each other(dihedral angle; $93.9^{\circ}$ ). All the potential hydrogen-bond donor atoms in the molecule, N(1) and N(2), are included in the hydrogen bonding. The molecules through hydrogen bonding form three dimensional network.

• Bulletin of the Korean Chemical Society
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• 제17권12호
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• pp.1149-1153
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• 1996

Ab initio and extended Huckel calculations were carried out on the isomers of trans-RhCl(η2-C2H2)(PH3)2 (1). Due to π-back donation in 1 complex, the rotational energy barrier of alkyne ligand is computed to be in the range of 18.6-25.2 kcal/mol at MP4 levels. The optimized hydrido-alkynyl complex (2) at ab initio level has the distorted trigonal bipyramidal structure. Vinylidene complex (3) is computed to be more stable than 1 complex by 17.1 kcal/mol at MP4//MP2 level. The stabilities of isomers show similar trend at the various level calculations, that is, EHT, MP4//HF, and MP4//MP2 levels. The optimized geometries at ab initio level are in reasonable agreement with experimental data. A detailed account of the bonding in each isomers (1-3) have been carried out in terms of orbital analyses.

• Journal of Magnetics
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• 제6권2호
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• pp.73-76
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• 2001

A double rectangular spiral type inductor has been fabricated by using FeTaN films. The inductor is composed of internal coils sandwiched by magnetic layers. Characteristics of inductor performance are investigated with an emphasis on planarization of magnetic films. In the absence of the planarization process, the grating topology of the upper magnetic films over the coil arrays degrades the soft magnetic properties and the inductor performance. It also induces a longitudinal magnetic anisotropy with the easy axis aligned to the magnetic flux direction. This alignment prevents the upper magnetic films from contributing to the total induction. Glass bonding is a viable method for achieving a completely planar inductor structure. The planar inductor with glass bonding shows excellent performance: inductance of 1.1 $\mu H$, Q factor of 7 (at 5 MHz), and the current capability up to 100 mA.

• Bulletin of the Korean Chemical Society
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• 제14권2호
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• pp.191-195
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• 1993

Molecular orbital calculations at the extended Huckel level have been carried out for an electron deficient cluster, $Tl_3(FeL_3)_2{(FeL_4)_3}^{-3}$, where L=CO or $H^-$. The LUMO, $2a_2$", is destabilized by the secondary interaction of the LUMO with $1a_2$" on $(FeL_3)_2$ fragment. This is one of six skeletal bonding orbitals which are associated with $Tl-FeL_3$ bonds. Overlap population analysis has been applied to account for two kinds of Tl-Fe bonds. Replacement of the terminal $C_{3v}$, $FeL_4$, by the $C_{2v}$, $FeL_4$ units in cluster results in slight energy stabilization of the cluster.

• Journal of Industrial and Engineering Chemistry
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• 제67권
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• pp.312-315
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• 2018

Although the reversibility of 10,12-pentacosadiynoic amino meta-acid(PCDA-mBzA) against temperature and pH was reported, the modulation of reversibility by ion adsorption at terminal functional group has not been investigated. In this work, we developed a simple method for modulating the reversibility of PCDA-mBzA films upon a thermal stimulus by cadmium ion adsorption inducing the breakage of the outer hydrogen bonding of two hydrogen bonds, which are responsible for the reversible properties of PCDA-mBzA. External reflection-Fourier transform infrared (ER-FTIR) analyses revealed that the hydrogen bonding between the carboxylic acid groups was broken through ion adsorption and only a single hydrogen bond between the amide groups remained in the PCDA-mBzA polymer. In addition, PCDA-mBzA films could recover their original property through cadmium ion desorption. These results present that the transition between reversibility and irreversibility can be modulated artificially simply through the adsorption and desorption of metal ions.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.128.1-128.1
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• 2011

In amorphous silicon and crystalline silicon(a-Si:H/c-Si) heterojuction solar cells, intrinsic hydrogenated amorphous silicon(a-Si:H) films play an important role to passivate the crystalline silicon wafer surfaces. We have studied the correlation between the surface passivation quality and nature of the Si-H bonding at the a-Si:H/c-Si interface. The samples were obtained by VHF-CVD under different deposition conditions. The passivation quality and analysis of all structures studied was performed by means of quasi steady state photoconductance(QSSPC) methods and fourier transform infrared spectrometer(FTIR) measurements respectively.

• 대한전자공학회논문지SD
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• 제44권11호
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• pp.20-25
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• 2007

SiOC 박막과 같은 유무기 하이브리드 실리카 물질에서의 열처리효과에 의한 결합구조의 변화와 유전상수에 관하여 연구하였다. 유무기 하이브리드 실리카 물질은 BTMSM과 산소의 혼합가스를 이용한 CVD방법에 의하여 증착되었다. 유무기 하이브리드 실리카 물질은 증착조건에 따라 3가지 유형으로 분류되었으며, 유전상수는 MIS 구조에 의하여 조사되었다. XPS 분석에 의하여 C 1s 스펙트라는 O2/BTMSM=1.5의 유량비를 갖는 박막에서 282.9 eV의 organometallic carbon 반응을 보여주는 피크를 나타내었다. organometallic carbon반응의 결과는 안정성 있는 크로스 링크 결합구조를 만들어내며, 하이브리드 특성을 갖는 이 박막에서 열처리 후 유전상수는 가장 낮았다.

• 한국콘텐츠학회논문지
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• 제18권10호
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• pp.361-367
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• 2018

이 연구의 목적은 불화 수소산 에칭 처리가 안정화된 정방 정계 지르코니아 다결정 (Y-TZP)의 결합 강도에 미치는 영향을 평가하는 것이었다. 4 그룹의 지르코니아 - 수지 시멘트 시편을 준비 하였다. 1) ZGS 그룹 (zirconia, no treatment) 2) ZGSH 그룹 (zirconia, hydrofluoric acid etching treatment) 3) H-ZGS 그룹 (Hybrid zirconia, no treatment) 4) H-ZGSH 그룹 (Hybrid zirconia, hydrofluoric acid etching treatment). 지르코니아와 도재 사이의 전단 결합 강도는 Instron Universal Testing Machine (ModelBBP-500, Instron Corporation, Kyunggi, Korea)을 사용하여 측정 하였다. 독립표본 t-test와 two-way ANOVA (${\alpha}=0.05$)를 사용하여 데이터를 통계적으로 분석했다. 세라믹 - 수지 시멘트 결합강도는 불화 수소산 에칭 처리에 영향을 받았다 (p <0.05). 파단 표면의 디지털 현미경 검사는 불화 수소산 에칭 처리한 표면처리 된 지르코니아 및 하이브리드 지르코니아 그룹에서 접착성 및 응집성 파절이 동시에 발생하는 결함을 보였다.

• 통합자연과학논문집
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• 제4권4호
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• pp.273-277
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• 2011

It's a threat for the public health that H1N1 (Influenza virus A) causes disease and transmits among humans. WHO (world health organization) declared that the infections caused by the new strain had reached pandemic proportions. The approved neuraminidase inhibitors (Zanamivir and Oseltamivir) and related investigative drug (BCX-1812) are potent, specific inhibitors of influenza A and B viruses. These drugs are highly effective to prevent influenza A and B infections. Early therapeutic use reduces illness duration and respiratory complications. Recently, we found one of the potent inhibitor of erystagallin A ($IC_{50}$ of 2.04 ${\mu}M$) for neuraminidase target, this inhibitor shows most similar structure to its natural substrate, sialic acid. Therefore, we chose 1l7f to get the receptor structure for docking study among many crystal structures. A docking study has been performed in Surflex-Dock module in SYBYL 8.1. In the present study, we attempt to compare the docking studies of pterocarpin and erystagallin A with neuraminidase receptor structure. In the previous report, the methoxy group of pterocarpin had H-bonding with Arg residues. The present docking results for erystagallin A showed the backbone of hydroxyl group shows significant H-bonding interactions with Arg152 and Arg292. The results showed that erystagallin A interacts more favorably with distinctive binding site rather than original active site. Therefore, we tried to reveal plausible binding mode and important amino acid for this inhibitor using docking and site id search calculations of Sybyl. The results obtained from this work may be utilized to design novel inhibitors for neuraminidase.

• Bulletin of the Korean Chemical Society
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• 제27권2호
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• pp.243-250
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• 2006

Three novel potential metal ion chelating units have been synthesized and characterized: 5-hexylcarbamoyl-3,4-dihydroxythiophene-2-carboxylic acid methyl ester (5), 3-benzyloxy-4-hydroxythiophene-2,5-dicarboxylic acid bis-hexylamide (6), and 3,4-dihydroxythiophene-2,5-dicarboxylic acid bis-hexylamide (7). The crystal structure of 6 was obtained and suggests the presence of three distinct intramolecular hydrogen bonds, namely $[N_{amide}-H{\cdot}{\cdot}{\cdot}O]$ $[O-H{\cdot}{\cdot}{\cdot}O_{amide}]$ and $[N_{amide}-H{\cdot}{\cdot}{\cdot}S]$. Boron chelation with 5, 6 and 7 through the use of $BF_3, \;B(OH)_3 \;or \;B(OMe)_3$ was probed by $^1H$, $^{11}B$, and $^{13}C$ NMR spectroscopy. Technetium (I) chelation with 5, 6 and 7 was also studied via HPLC elutions using $[^{99m}Tc(CO)_3(OH_2)_3]^+$.