• Bulletin of the Korean Chemical Society
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• 제28권6호
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• pp.947-952
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• 2007

Mycobacterium tuberculosis is a pathogen responsible for 2-3 million deaths every year worldwide. The emergence of drug-resistant and multidrug-resistant tuberculosis has increased the need to identify new antituberculosis targets. Acetohydroxy acid synthase, (AHAS, EC 2.2.1.6), an enzyme involved in branched-chain amino acid synthesis, has recently been identified as a potential anti-tuberculosis target. To assist in the search for new inhibitors and “receptor-based” design of effective inhibitors of tubercular AHAS (TbAHAS), we constructed four different structural models of TbAHAS and used one of the models as a target for virtual screening of potential inhibitors. The quality of each model was assessed stereochemically by PROCHECK and found to be reliable. Up to 89% of the amino acid residues in the structural models were located in the most favored regions of the Ramachandran plot, which indicates that the conformation of each residue in the models is good. In the models, residues at the herbicide-binding site were highly conserved across 39 AHAS sequences. The binding mode of TbAHAS with a sulfonylurea herbicide was characterized by 32 hydrophobic interactions, the majority of which were contributed by residue Trp516. The model based on the highest resolution X-ray structure of yeast AHAS was used as the target for virtual screening of a chemical database containing 8300 molecules with a heterocyclic ring. We developed a short list of molecules that were predicted to bind with high scores to TbAHAS in a conformation similar to that of sulfonylurea derivatives. Five sulfonylurea herbicides that were calculated to efficiently bind TbAHAS were experimentally verified and found to inhibit enzyme activity at micromolar concentrations. The data suggest that this time-saving and costeffective computational approach can be used to discover new TbAHAS inhibitors. The list of chemicals studied in this work is supplied to facilitate independent experimental verification of the computational approach.

• 한국결정학회지
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• 제8권1호
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• pp.1-5
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• 1997

표제화합물의 결정구조는 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium, $C_{16}H_{19}N_2$와 tosylate, $C_7H_7SO_3$의 불연속한 이분자체로 구성되어 있다. 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium 분자는 중간에 있는 C=C double bond에서 trans conformation을 가지고 있으며 phenyl 및 pyridyl ring들간의 이면각은 $5.7(2)^{\circ}$을 이루어 전분자는 $0.138(8){\AA}$ 내에서 평면을 이루고 있다. Tosylate 분자들은 거리가 각각 2.855(9) and $2.899(8){\AA}$인 O-H...O 수소결합으로 연결된 이분자체를 나타내고 있다. 이 두 분자간의 가장 가까운 거리는 O(3)와 C(16) 원자간의 $3.10(1){\AA}$이다.

• 한국결정학회지
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• 제1권2호
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• pp.76-83
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• 1990

완전히 Ca2+ 이온으로 치환된 탈수구조(a=12 2f3(2) .41와 이 결정에 요오드가 흡착된 구조(a= 12.258(2) 입)를 21살에서 입방공간군 Pm3m를 사 용하여 단결정 X-선 회절법으로 구조를 해석하였다. 탈수구조는 I>3 w (I)인 206개의 반사를 사용하 여 Rw값이 0.081까지 정밀화되었고 요오드가 흡착 된 구조는 173개의 반사를 사용하여 Rw값이 0.084 까지 정밀화되었다. 각각의 구조에서 단위세포당 6 개의 Ca2+ 이온은 6-링의 산소와 결합하면서 3개 의 다른 3회 회전축상에 위치하였다. 탈수한 칼슘 치환 제올라이트 A는 80살에서 단위세포당 여섯개의 요오드 분자를 흡착하며 각 요오드 분자는 골조 산소 원자와 전하이동 착물을 형성하였다(I-0=3. 32(3) A, I-I=2.7l (2) A 그리고 I-I-0=180℃).

• 한국결정학회지
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• 제9권1호
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• pp.1-5
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• 1998

[Cu(L)]I2, 2H2o(1) (L:3,14-Dimethyl-2,6,13,17-tetrazatricyclo[14,4,01.18, 07.12] docosane) 착물을 합성하고 구조를 규명하였다. 이 착물은 삼사정계, 공간군 P1, a=8.400(1)Å, b=8.986(3) Å, c=9.156(1) Å, α=82.42(1)˚, β=73.61(1)˚ λ=81.04(2)˚, Z=1로 결정화되었으며, 최종 신뢰도 R값은 288K에서 1926개 회석반점에 대하여 0.042이었다. 이 착물의 결정구조는 평면 사각구조를 갖고 Cu-N의 평균 거리는 2.029(11)Å이었다. 이 착물의 육면 고리가 오면 고리는 RRSS 배역을 갖는 이차 NH와 함께 각각 의자 형태와 고우시 형태를 갖는다.

• Journal of Ginseng Research
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• 제41권3호
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• pp.373-378
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• 2017

Ocotillol-type saponins are one kind of tetracyclic triterpenoids, sharing a tetrahydrofuran ring. Natural ocotillol-type saponins have been discovered in Panax quinquefolius L., Panax japonicus, Hana mina, and Vietnamese ginseng. In recent years, the semisynthesis of 20(S/R)-ocotillol-type saponins has been reported. The biological activities of ocotillol-type saponins include neuroprotective effect, antimyocardial ischemia, antiinflammatory, antibacterial, and antitumor activities. Owing to their chemical structure, pharmacological actions, and the stereoselective activity on antimyocardial ischemia, ocotillol-type saponins are subjected to extensive consideration. In this review, we sum up the discovery, semisynthesis, biological activities, and metabolism of ocotillol-type saponins.

• Journal of Microbiology
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• 제45권3호
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• pp.227-233
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• 2007

In budding yeast, septin plays as a scaffold to recruits protein components and regulates crucial cellular events including bud site selection, bud morphogenesis, Cdc28 activation pathway, and cytokinesis. Phosphorylation of Bni5 isolated as a suppressor for septin defect is essential to Swe1-dependent regulation of bud morphogenesis and mitotic entry. The mechanism by which Bni5 regulates normal septin function is not completely understood. Here, we provide evidence that Bni5 phosphorylation is important for interaction with septin component Cdc11 and for timely delocalization from septin filament at late mitosis. Phosphorylation-deficient bni5-4A was synthetically lethal with $hof1{\Delta}$. bni5-4A cells had defective structure of septin ring and connected cell morphology, indicative of defects in cytokinesis. Two-hybrid analysis revealed that bni5-4A has a defect in direct interaction with Cdc11 and Cdc12. GFP-tagged bni5-4A was normally localized at mother-bud neck of budded cells before middle of mitosis. In contrast, at large-budded telophase cells, bni5-4A-GFP was defective in localization and disappeared from the neck approximately 2 min earlier than that of wild type, as evidenced by time-lapse analysis. Therefore, earlier delocalization of bni5-4A from septin filament is consistent with phosphorylation-dependent interaction with the septin component. These results suggest that timely de localization of Bni5 by phosphorylation is important for septin function and regulation of cytokinesis.

• Korean Chemical Engineering Research
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• 제51권3호
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• pp.342-346
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• 2013

온실가스인 $CO_2$를 저감하기 위한 기술로 본 연구에서는 이온성 액체를 이용하여 epoxide계 화합물인 glycidyl methacrylate (GMA)와 $CO_2$의 고리화 첨가 반응(cycloaddition)을 통해 cyclic carbonate를 합성하였다. 합성된 cyclic carbonate인 [2-oxo-1,3-dioxolan-4-yl]methacrylate (DOMA)는 FT-IR과 $^1H$ NMR을 이용하여 그 구조를 확인하였다. 또한 $^1H$ NMR을 통하여 계산된 조성비를 이용하여 전환율과 시간의 관계를 관찰하였다. DOMA로 전환이 모두 이루어진 이후에는 DOMA의 이중결합이 잔존하는 이온성 액체로 음이온 중합, cyclic carbonate ring의 가교반응에 의한 고분자가 형성되었다.

• 한국전자파학회논문지
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• 제20권3호
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• pp.280-288
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• 2009

본 논문에서는 좁은 빔 특성을 가지고 35 dB 이상의 부엽 레벨(Side Lobe Level: SLL)을 가지는 Chebyshev 전류 분포의 선형 배열 안테나를 위한 고전력, 저손실의 스트립라인 10-출력 전력분배 기를 설계, 제작하였다. T-junction 전력분배기를 기본 구조로 하여 단위 셀을 설계하였고, 설계된 단위 셀을 결합하여 전체 전력분배기를 설계하였다. 설계 시 특성 개선을 위하여 다중 임피던스 변환기와 변형된 링 하이브리드 구조를 적용하였고 커넥터 구조의 변경을 통한 동축선로-스트립라인 천이 구조의 개선으로 반사 및 삽입 손실 특성을 개선하였다.

• 대한치과보철학회지
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• 제35권3호
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• pp.486-503
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• 1997

The purpose of this study was to evaluate the stress patterns developed in abutment and residual ridge according to removable denture design in case of remaining mandibular canines. The removable denture designs in this study were as foolows : 1. Removable partial denture with non-splinted abutment 2. Removable partial denture with splinted abutment 3. Overdenture with telescopic crown 4. Overdenture with O-Ring attachment 5. Overdenture with combination bar attachment Photoelastic stress analysis was used to record the isochromatic fringe patterns and to calculate principal stress components at measuring points. The results were as follows : 1. In case of removable partial denture with non-splinted abutment, stress of root area at the loaded side was the largest. No significant differences in stress of root area were observed between loaded side and unloaded side. 2. No significant differences in stress of residual ridge at the loaded side were observed between removable partial denture with splinted abutment and removable partial denture with non-splinted abutment. 3. In case of combination bar attachment retained overdenture, stress of root area was the largest and in case of telescopic crown retained overdenture, stress of root area was the lowest. 4. In case of attachment retained overdenture, stress of residual ridge was lower but stress of root area was larger than in case of removable partial denture.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2000년도 추계학술발표회 초록집
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• pp.1-2
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• 2000

In chip plating, several parameters must be taken into consideration. Current density, solution concentration, pH, solution temperature, components volume, chip and media ratio, barrel geometrical shape were most likely found to have an effect to the process yields. The 3 types of barrels utilized in chip plating industry are the onventional rotating barrel, vibrational barrel(vibarrel), and the centrifugal type. Conventional rotating barrel is a close type and is commonly used. The components inside the barrel are circulated by the barrel's rotation at a horizontal axis. Process yield has known to have higher thickness deviation. The vibrational barrel is an open type which offers a wide exposure to electrolyte resulting to a stable thickness deviation. It rotates in a vertical axis coupled with multi-vibration action to facilitate mixed up and easy transportation of components. The centrifugal barrel has its plated work centrifugally compacted against the cathode ring for superior electrical contact with simultaneous rotary motion. This experiment has determined the effect of barrel vibration intensity to the plating thickness distribution. The procedures carried out in the experiment involved the overall plating process., cleaning, rinse, Nickel plating, Tin-Lead plating. Plating time was adjusted to meet the required specification. All other parameters were maintained constant. Two trials were performed to confirm the consistency of the result. The thickness data of the experiment conducted showed thatbthe average mean value obtained from higher vibrational intensity is nearer to the standard mean. The distribution curve shown has a narrower specification limits and it has a reduced variation around the target value. Generally, intensity control in vi-barrel facilitates mixed up and easy transportation of components. However, it is desirable to maintain an optimum vibration intensity to prevent solution intrusion into the chips' internal electrode. A cathodic reaction can occur in the interface of the external and internal electrode. 2H20 + e $\rightarrow$M/TEX> 20H + H2.. Hydrogen can penetrate into the body and create pressure which can cause cracks. At high intensity, the chip's motion becomes stronger, its contact between each other is delayed and so plating action is being controlled. However, the strong impact created by its collision can damage the external electrode's structure there by resulting to bad plating condition.