• Molecules and Cells
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• 제27권6호
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• pp.651-656
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• 2009

The formation of ${\beta}$-amyloid peptide ($A{\beta}$) is initiated from cleavage of amyloid precursor protein (APP) by a family of protease, ${\alpha}$-, ${\beta}$-, and ${\gamma}$-secretase. Sub W, a substrate peptide, consists of 10 amino acids, which are adjacent to the ${\beta}$-cleavage site of wild-type APP, and Sub M is Swedish mutant with double mutations on the left side of the ${\beta}$-cleavage site of APP. Sub W is a normal product of the metabolism of APP in the secretary pathway. Sub M is known to increase the efficiency of ${\beta}$-secretase activity, resulting in a more specific binding model compared to Sub W. Three-dimensional structures of Sub W and Sub M were studied by CD and NMR spectroscopy in water solution. On the basis of these structures, interaction models of ${\beta}$-secretase and substrate peptides were determined by molecular dynamics simulation. Four hydrogen bonds and one water-mediated interaction were formed in the docking models. In particular, the hydrogen bonding network of Sub M-BACE formed spread over the broad region of the active site of ${\beta}$-secretase (P5-P3'), and the side chain of P2- Asn formed a hydrogen bond specifically with the side chain of Arg235. These are more favorable to the cleavage of Sub M by ${\beta}$-secretase than Sub W. The two substrate peptides showed different tendency to bind to ${\beta}$-secretase and this information may useful for drug development to treat and prevent Alzheimer's disease.

• 펄프종이기술
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• 제38권4호
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• pp.17-23
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• 2006

Paper has fibers and fines network structure and it is strongly affected by interface bond-ing between fibers. Paper structural properties can be determined depending on the inter-fiber bonding. Fines play an important role in Campbell and consolidation effect through wet pressing and drying operations. The fines are essential for the formation of bonds between fibers and for the improvement of strength properties of papers. Since the fines are components of the pulp, there are always two factors to be considered: the quality and quantity of the fines. The quality of fines might be a potential variable to give a more accurate picture of the papermaking potential of the pulp. The object of this study is to investigate the effect of different types of pulp fines on the properties of paper and to access the potential of fines for controlling the bulk of paper. Refined Sw-BKP, Hw-BKP and BCTMP fines were used to investigate the fines effect. Wet-web strength, breaking length, scattering coefficient, and hydrodynamic specific volume, and drying shrinkage were measured. According to the results, chemical and morphological compositions of fines do not strongly affect to wet-web forming by their similar Campbell effect, but strongly affect to drying operation which forms hydrogen bonding among fiber-fines-fiber matrixes. Paper bulk should be controlled by the extent of hydrogen bonding between fibers during drying operation.

• 공업화학
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• 제10권3호
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• pp.343-348
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• 1999

저온 공정이 가능한 rf-plasma를 이용한 화학증착법으로 기판의 온도, 출력, $SiH_4$와 천음 함유한 유기화합불 진구체의 희석비 등을 변수로 각 실험 조건에 따라 iron silicide를 제조하였다. 일반적으로 iron silicide 막은 다단계 공정의 Ion Beam Synthesis (IBS)법으로 성장시키고 있으나, 플라즈마를 사용함으로써 단일공정에 의해 $Fe_aSi_bC_cH_d$로 결합된 iron silicide 및 ${\beta}$-상이 형성될 수 있음을 확인하였다. 철 전구체와 실란 (silane)의 희석비에 따라 막 내에 존재하는 탄소와 수소양의 차이로 인해 서로 다른 막의 특성을 나타내었다. 기관의 온도에 따른 광학에너지갭 ($E_b^{opt}$)은 박 표면에 존재하는 수소가 탈착되면서 제공할 수 있는 활성점이 한정되어 있기 때문에 큰 변화가 없었다. 240 watt 이하의 출력에서는 광학에너지갭이 감소하였고, 240 watt 이상의 높은 출력에서는 식각에 의해 미결합수가 증가하여 광학에너지갭은 높게 나타났다.

• 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 $[^{99m}Tc(CO)_3(OH_2)_3]^+$.

• Bulletin of the Korean Chemical Society
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• 제25권6호
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• pp.838-842
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• 2004

Amyloid peptide (A${\beta}$) is the major component of senile plaques found in the brain of patient of Alzheimer's disease. ${\beta}$-amyloid peptide (25-35) (A${\beta}$25-35) is biologically active fragment of A${\beta}$. The three-dimensional structure of A${\beta}$25-35 in aqueous solution with 50% (vol/vol) TFE determined by NMR spectroscopy previously adopts an ${\alpha}$-helical conformation from $Ala^{30}$ to $Met^{35}$. It has been proposed that A${\beta}$(25-35) exhibits pH- and concentration-dependent ${\alpha}-helix{\leftrightarrow}{\beta}$sheet transition. This conformational transition with concomitant peptide aggregation is a possible mechanism of plaque formation. Here, in order to gain more insight into the mechanism of ${\alpha}$-helix formation of A${\beta}$25-35 peptide by TFE, which particularly stabilizes ${\alpha}$-helical conformation, we studied the secondary-structural elements of A${\beta}$25-35 peptide by molecular dynamics simulations. Secondary structural elements determined from NMR spectroscopy in aqueous TFE solution are preserved during the MD simulation. TFE/water mixed solvent has reduced capacity for forming hydrogen bond to the peptide compared to pure water solvent. TFE allows A${\beta}$25-35 to form bifurcated hydrogen bonds to TFE as well as to residues in peptide itself. MD simulation in this study supports the notion that TFE can act as an ${\alpha}$-helical structure forming solvent.

• Bulletin of the Korean Chemical Society
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• 제30권7호
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• pp.1579-1582
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• 2009

The reaction rates of 4-X-2,6-dinitrochlorobenzenes (X = $NO_2,\;CN,\;CF_3$) with Y-substituted pyridines (Y = 3-$OCH_3,\;H,\;3-CH_3,\;4-CH_3$) in methanol-acetonitrile mixtures were measured by conductometry at 25 ${^{\circ}C}$. It was observed that the rate constant increased in the order of X = 4-$NO_2\;>\;4-CN\;>\;4-CF_3$ and the rate constant also increased in the order of Y = 4-$CH_3\;>\;3-CH_3\;>\;H\;>\;3-OCH_3$. When the solvent composition was varied, the rate constant increased in order of MeCN > 50% MeOH > MeOH. The electrophilic catalysis by methanol may be ascribed to the formation of hydrogen bonds between alcoholic hydrogen and nitrogen of pyridines in ground state. Based on the transition parameters, ${\rho}_S,\;{\rho}_N,\;{\beta}_Y,\;{\rho}_{XY}$ and solvent effects, the reaction seems to proceed via $S_N$Ar-Ad.E mechanism. We also estimated the isokinetic solvent mixtures (${\rho}_{XY}$ = 0) based on cross-interaction constants, where the substituent effects of the substrate and nucleophile are compensated.

• 대한전자공학회논문지SD
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• 제41권8호
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• pp.1-8
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• 2004

두께가 3nm인 게이트 산화막을 사용한 n-MOSFET에 정전압 스트레스를 가하였을 때 관찰되는 SILC 및 soft breakdown 열화 및 이러한 열화가 소자 특성에 미치는 영향에 대해 실험하였다. 열화 현상은 인가되는 게이트 전압의 극성에 따라 그 특성이 다르게 나타났다. 게이트 전압이 (-)일 때 열화는 계면 및 산화막내 전하 결함에 의해 발생되었지만, 게이트 전압이 (＋)일 때는 열화는 주로 계면 결함에 의해 발생되었다. 또한 이러한 결함의 생성은 Si-H 결합의 파괴에 의해 발생할 수 있다는 것을 중수소 열처리 및 추가 수소 열처리 실험으로부터 발견하였다. OFF 전류 및 여러 가지 MOSFET의 전기적 특성의 변화는 관찰된 결함 전하(charge-trapping)의 생성과 직접적인 관련이 있다. 그러므로 실험 결과들로부터 게이트 산화막으로 터널링되는 전자나 정공에 의한 Si 및 O의 결합 파괴가 게이트 산화막 열화의 원인이 된다고 판단된다. 이러한 물리적 해석은 기존의 Anode-Hole Injection 모델과 Hydrogen-Released 모델의 내용을 모두 포함하게 된다.

• 대한화학회지
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• 제37권4호
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• pp.408-415
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• 1993

$CH_4,\;CH_3F,\;CH_2F_2,\;CHF_3$ 과 $NH_3$ 및 H_2O$와의 수소결합 이량체들에 대하여 9s5p/5s 및 9s5p1d/5s1p의 basis sets를 사용하여 체계적인 ab initio 계산을 하였다. 이들 이량체들의 바닥상태성질을 구하여 독립된 단위체들의 대응하는 성질과 비교하였으며, 평형기하구조, 안정화에너지, 쌍극자모멘트 및 분자간 결합의 힘상수 등을 보고하였다. 사슬형 소중합체들에서 수소결합의 비가감적 거동의 결과로부터 일어나는 여러가지 효과들을 논의하고, SCF 근사법의 사용에 따른 체계적 및 조직적인 오차들과 계산결과들의 basis sets 의존성을 지적하였다.

• 대한화학회지
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• 제64권6호
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• pp.350-353
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• 2020

물 분자내의 OH 신축진동(stretching vibration) 운동을 나타내는 정규모드(normal mode)와 국소모드(local mode) 진동수들을 비교하여 수소결합한 물 분자에 대한 국소모드에 기반한 계산의 타당성을 조사하였다. 물 분자의 단량체, 이합체, 삼량체에 대한 계산을 수행하여 분자 클러스터 크기가 커짐에 따라 국소모드 진동수, 국소모드의 비조화성, 그리고 국소모드와 정규모드 진동수들의 유사성이 어떤 경향성을 보이는지 순이론적 양자화학 계산 방법으로 연구하였다. 단량체에서 삼량체로 분자의 갯수가 증가할수록 OH 결합의 비조화성은 증가하며 국소모드와 정규모드 진동수 간의 차이는 줄어드는 것으로 나타났다. 따라서, 응축상에 존재하는 물 분자들의 OH 신축 진동수의 이론적 계산은 비조화성을 쉽게 다룰 수 있는 국소모드에 기반한 방식이 적절할 수 있음을 확인하였다.

• Bulletin of the Korean Chemical Society
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• 제31권3호
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• pp.582-587
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• 2010

A rhodium-catalyzed reductive cleavage reaction of carbon-cyano bonds is developed using hydrosilane as a mild reducing agent. A wide range of nitriles, including aryl, benzyl, and $\beta$-hydrogen containing alkyl cyanides are applicable to this decyanation reaction. The method is also applicable to organic synthesis, in which benzyl cyanide is used as a benzyl anion equivalent and a cyano group functions as a removable ortho-directing group.