• 농약과학회지
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• 제6권3호
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• pp.209-217
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• 2002

Metalaxyl 살균제 저항성(RPC)과 감수성(SPC) 고추역병균주(Phytaphthora capsici)들에 대한 2-N-benzyl-5-phenoxy-3-isothiazolone 유도체들의 살균활성을 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR) 방법으로 분석하였다. 두 균주의 살균활성에 대한 PLS 계산결과, 교차 확인값($q^2$)과 Pearson 상관계수($r^2$) (CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ 및 HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$)를 비교한 바, 두 방법 모두 양호한 분석 결과를 나타내었다. 그리고 CoMSIA 등고도로부터 특히, RPC에 대한 선택적인 살균활성 요소는 phenoxy-기의 meta, para(C1-C6) 위치에 소수성이 작고 입체적으로 크지 않은 H-결합 받게가 치환 될 경우이었으며 CoMSIA 보다는 HQSAR 방법이 높은 예측성을 나타내었다.

• Interdisciplinary Bio Central
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• 제1권1호
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• pp.3.1-3.6
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• 2009

Introduction: GTPases known as translation factor play a vital role as ribosomal subunit assembly chaperone. The bacterial Obg proteins ($Spo{\underline{0B}}$-associated ${\underline{G}}TP$-binding protein) belong to the subfamily of P-loop GTPase proteins and now it is considered as one of the new target for antibacterial drug. The majority of bacterial Obgs have been commonly found to be associated with ribosome, implying that these proteins may play a fundamental role in ribosome assembly or maturation. In addition, one of the experimental evidences suggested that Bacillus subtilis Obg (BsObg) protein binds to the L13 ribosomal protein (BsL13) which is known to be one of the early assembly proteins of the 50S ribosomal subunit in Escherichia coli. In order to investigate binding mode between the BsObg and the BsL13, protein-protein docking simulation was carried out after generating 3D structure of the BsL13 structure using homology modeling method. Materials and Methods: Homology model structure of BsL13 was generated using the EcL13 crystal structure as a template. Protein-protein docking of BsObg protein with ribosomal protein BsL13 was performed by DOT, a macro-molecular docking software, in order to predict a reasonable binding mode. The solvated energy minimization calculation of the docked conformation was carried out to refine the structure. Results and Discussion: The possible binding conformation of BsL13 along with activated Obg fold in BsObg was predicted by computational docking study. The final structure is obtained from the solvated energy minimization. From the analysis, three important H-bond interactions between the Obg fold and the L13 were detected: Obg:Tyr27-L13:Glu32, Obg:Asn76-L13:Glu139, and Obg:Ala136-L13:Glu142. The interaction between the BsObg and BsL13 structures were also analyzed by electrostatic potential calculations to examine the interface surfaces. From the results, the key residues for hydrogen bonding and hydrophobic interaction between the two proteins were predicted. Conclusion and Prospects: In this study, we have focused on the binding mode of the BsObg protein with the ribosomal BsL13 protein. The interaction between the activated Obg and target protein was investigated with protein-protein docking calculations. The binding pattern can be further used as a base for structure-based drug design to find a novel antibacterial drug.

• 대한화학회지
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• 제56권6호
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• pp.739-750
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• 2012

이 연구에서는 중학교 '과학2' 교과서에 서술되어 있는 '이온 결합 화합물'과 '분자'에 대한 내용이 요구하는 인지 요구도를 분석하였다. 우리나라는 2007년 개정 교육과정에 의하여 처음으로 '이온 결합 화합물'과 '분자' 내용들을 중학교에서 다루게 되었다. 분석에 활용한 6종 과학 교과서에 서술된 내용이 어떠한 인지 수준을 요구하는 지를 알아내는 분석틀은 영국에서 개발된 Curriculum Analysis Taxonomy의 3종류 분석틀을 사용하였다. 이 3종류 분석틀에 의하여 분석한 '과학2' 교과서에 서술된 내용이 요구하는 인지 수준들은 다음과 같았다. 첫째, '순물질과 혼합물'에 대해서 대부분의 교과서가 대부분 분류 포섭이나 분류 위계를 하고 있어서 후기 구체적 조작 수준이다. 그러나 모든 교과서가 혼합물 속에 들어 있는 각각의 순물질들이 본래의 성질을 잃지 않고 그 성질이 보존된다는 것을 알게 하고 있기 때문에 초기 형식적 조작 수준이다. 둘째, '이온 결합 화합물'과 '분자'에 대해서 교과서 모두 초기 형식적 조작 수준으로 판정되었다. 그 자체의 규칙을 따르는 가상의 계로부터 연역적인 비교를 통하여 실체를 간접적으로 해석할 수 있는 형식적 모델을 사용한다거나 또는 원자가 구조를 가진다는 것을 설명하기 때문에 형식적 조작 수준이다. 셋째, '이온 결합', '이온 결합 화합물', '화학식', '공유 결합', '공유 결합 화합물', '분자식' 등의 용어들을 사용하는 '과학2' 교과서가 많이 있었다. 이러한 용어들은 중학교 '과학3'에서도 그리고 고등학교 '과학'에서도 사용되지 않고 있으며 고등학교 '화학I'과 '화학II'에 가서야 사용되는 용어들이다.

• 한국환경농학회지
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• 제19권5호
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• pp.401-418
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• 2000

1. Production of the artificial zeolite from coal ash Coal fly ash is mainly composed of several oxides including $SiO_2$ and $Al_2O_3$ derived from inorganic compounds remained after burning. As minor components, $Fe_2O_3$ and oxides of Mg, Ca, P, Ti (trace) are also contained in the ash. These components are presented as glass form resulting from fusion in the process of the combustion of coal. In other word, coal ash may refer to a kind of aluminosilicate glass that is known to easily change to zeolite-like materials by hydrothermal reaction. Lots of hot seawater is disposing near thermal power plants after cooling turbine generator periodically. Using seawater in the hydrothermal reaction caused to produce low price artificial zeolite by reduction of sodium hydroxide consumption, heating energy and water cost. As coal ash were reacted hydrothermally, peaks of quartz and mullite in the ash were weakened and disappeared, and new Na-Pl peaks were appeared strengthily. Si-O-Si bonding of the bituminous coal ash was changed to Si-O-Al (and $Fe^{3+}$) bonding by the reaction. Therefore the produced Na-Pl type zeolite had high CEC of 276.7 $cmol^+{\cdot}kg^{-1}$ and well developed molecular sieve structure with low concentration of heavy metals. 2. Utilization of the artificial zeolite in agro-environment The artificial zeolite(1g) could remove 123.5 mg of zinc, 164.7 mg copper, 184.4 mg cadmium and 350.6 mg lead in the synthetic wastewater. The removability is higher 2.8 times in zinc, 3.3 times in copper, 4.7 times in cadmium and 4.8 times in lead than natural zeolite and charcoal powder. When the heavy metals were treated at the ratio of 150 $kg{\cdot}ha^{-1}$ to the rice plant, various growth inhibition were observed; brownish discoloration and death of leaf sheath, growth inhibition in culm length, number of panicles and grains, grain ripening and rice yield. But these growth inhibition was greatly alleviated by the application of artificial zeolite, therefore, rice yield increased $1.1{\sim}3.2$ times according to the metal kind. In addition, the concentration of heavy metals in the brown rice also lowered by $27{\sim}75%$. Artificial Granular Zeolites (AGZ) was developed for the purification of wastewater. Canon exchange capacity was 126.8 $cmol^+{\cdot}kg^{-1}$. AGZ had Na-Pl peaks mainly with some minor $C_3S$ peaks in X-ray diffractogram. In addition, AGZs had various pore structure that may be adhere the suspended solid and offer microbiological niche to decompose organic pollutants. AGZ could remove ammonium, orthophosphate and heavy metals simultaneously. Mixing ratio of artificial zeolite in AGZs was related positively with removal efficiency of $NH_4\;^+$ and negatively with that of $PO_4\;^{3-}$. Root growth of rice seedling was inhibited severely in the mine wastewater because of strong acidity and high concentration of heavy metals. As AGZ(1 kg) stayed in the wastewater(100L) for 4days, water quality turned into safely for agricultural usage and rice seedlings grew normally.

• 한국재료학회지
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• 제12권11호
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• pp.860-864
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• 2002

$Li^{+}$ extraction reactions with ion-exchange type lithium manganese oxide in an aqueous phase were examined using chemical and x-ray diffraction (XRD) analysis. In the process of extraction reaction, the lithium manganese oxide showed a topotactic extraction of $Li^{+ }$ in the aqueous phase mainly through an ion-exchange mechanism, and the $Li^{+}$ extracted samples indicated a high selectivity and a large capacity for $Li^{+}$ . The electronic structures and chemical bonding properties were also studied using a discrete variational (DV)-X$\alpha$ molecular orbital method with cluster model of (Li$Mn_{12}$ $O_{40}$ )$^{27-}$ for tetrahedral sites and ($Li_{7}$ Mn $O_{38}$ )$^{3}$ for octahedral site in $Li_{1.33}$ $Mn_{1.67}$ / $O_{4}$ respectively. Li in the manganese oxides is highly ionized in both sites, but the net charge of Li was greater for tetrahedral sites than octahedral. These calculations suggest that the tetrahedral sites have higher $Li^{+}$ $H^{+}$ exchangeability than the octahedral sites, and are preferable for the selective adsorption for L $i^{+}$ ions.s.

• Elastomers and Composites
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• 제43권4호
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• pp.259-263
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• 2008

저밀도 폴리에틸렌에 대한 장시간 저온 열처리가 저밀도 폴리에틸렌 고분자의 결정화도에 미치는 효과를 고체 수소 핵자기공명을 이용하여 연구하였다. 장시간 열처리는 첫째, 저밀도 폴리에틸렌의 색깔을 엷은 노란색으로 변하게 하였고 둘째, 저밀도폴리에틸렌에서 수소 핵의 스핀-스핀 및 스핀-격자 완화시간을 증가시켰으며, 셋째, 결정화도를 줄어들게 하였다. 먼저, $T_1$의 증가를 저밀도폴리에틸렌의 전체 스핀-격자 완화시간을 결정하는 비정질 영역의 부피 감소에 의한 것이거나 분자간 가교나 수소결합에 의한 특정 분자 운동 성분의 느려짐에 의해 발생하는 것으로 고려하였다. 하지만 결정화도의 감소는 열처리에 의한 비정질 영역의 감소를 의미하므로 전자와는 배치되었다. 따라서 $T_1$의 증가는 후자에 의한 결과임을 알 수 있었다.

• 한국에너지공학회:학술대회논문집
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• 한국에너지공학회 1996년도 추계학술발표회 논문집
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• pp.18-28
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• 1996

The outer-most electrons of metal atoms and the remaining valence electrons of any molecular atoms make three-dimensional crystallizing $\pi$-bondings. The rotating electrons on the three-dimensional crystallizing $\pi$-bonding orbitals of atoms make $\pi$-far infrared rays. Longitudinal wave is a propagation of a bundle of $\pi$-far infrared rays, which are produced by a dynamic impact on a solid bar. The $\pi$-far infrared rays make three-dimensional crystallizing $\pi$-bondings in the material, which reproduce the same $\pi$-far infrared rays. If a current signal is input into water molecules under a given electric potential field with $\pi$-far infrared rays (input information), the signal can be amplified because the $\pi$-far infrared rays make the $\pi$-bondings, which reduce electric resistance. The three-dimensional crystallizing $\pi$-bondings can induce normal electrons to move from one orbital to next one with a aid of potential electric field. Quantum Resonance Spectrometer is composed of tesla coil absorbing $\pi$-far infrared rays, tesla coil emitting varying electromagnetic waves signal generator, signal storage, human body amplifier, signal analyzer and data indicator. The absorbing tesla coil making varying magnetic field and downward and upward electric field, which resonates the $\pi$-far infrared rays coming out from specimen and absorbs them. The modulated current signal from the input square signal can generate and emit varying electromagnetic waves from the tesla coil. The varying electro-magnetic waves make the three-dimensional crystallizing $\pi$-bondings and the $\pi$-far infrared rays in the water molecules.

• Molecules and Cells
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• 제41권4호
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• pp.331-341
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• 2018

L-pipecolic acid is a non-protein amino acid commonly found in plants, animals, and microorganisms. It is a well-known precursor to numerous microbial secondary metabolites and pharmaceuticals, including anticancer agents, immunosuppressants, and several antibiotics. Lysine cyclodeaminase (LCD) catalyzes ${\beta}$-deamination of L-lysine into L-pipecolic acid using ${\beta}$-nicotinamide adenine dinucleotide as a cofactor. Expression of a human homolog of LCD, ${\mu}$-crystallin, is elevated in prostate cancer patients. To understand the structural features and catalytic mechanisms of LCD, we determined the crystal structures of Streptomyces pristinaespiralis LCD (SpLCD) in (i) a binary complex with $NAD^+$, (ii) a ternary complex with $NAD^+$ and L-pipecolic acid, (iii) a ternary complex with $NAD^+$ and L-proline, and (iv) a ternary complex with $NAD^+$ and L-2,4-diamino butyric acid. The overall structure of SpLCD was similar to that of ornithine cyclodeaminase from Pseudomonas putida. In addition, SpLCD recognized L-lysine, L-ornithine, and L-2,4-diamino butyric acid despite differences in the active site, including differences in hydrogen bonding by Asp236, which corresponds with Asp228 from Pseudomonas putida ornithine cyclodeaminase. The substrate binding pocket of SpLCD allowed substrates smaller than lysine to bind, thus enabling binding to ornithine and L-2,4-diamino butyric acid. Our structural and biochemical data facilitate a detailed understanding of substrate and product recognition, thus providing evidence for a reaction mechanism for SpLCD. The proposed mechanism is unusual in that $NAD^+$ is initially converted into NADH and then reverted back into $NAD^+$ at a late stage of the reaction.

• Journal of Microbiology and Biotechnology
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• 제26권4호
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• pp.659-665
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• 2016

The oligosaccharides in human milk constitute a major innate immunological mechanism by which breastfed infants gain protection against infectious diarrhea. Clostridium difficile is the most important cause of nosocomial diarrhea, and the C-terminus of toxin A with its carbohydrate binding site, TcdA-f2, demonstrates specific abolishment of cytotoxicity and receptor binding activity upon diethylpyrocarbonate modification of the histidine residues in TcdA. TcdA-f2 was cloned and expressed in E. coli BL21 (DE3). A human milk oligosaccharide (HMO) mixture displayed binding with TcdA-f2 at 38.2 respond units (RU) at the concentration of 20 μg/ml, whereas the eight purified HMOs showed binding with the carbohydrate binding site of TcdA-f2 at 3.3 to 14 RU depending on their structures via a surface plasma resonance biosensor. Among them, Lacto-N-fucopentaose V (LNFPV) and Lacto-N-neohexaose (LNnH) demonstrated tight binding to TcdA-f2 with docking energy of −9.48 kcal/mol and −12.81 kcal/mol, respectively. It displayed numerous hydrogen bonding and hydrophobic interactions with amino acid residues of TcdA-f2.

• Macromolecular Research
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• 제13권2호
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• pp.120-127
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• 2005

Conventional poly(methyl methacrylate) (PMMA) bone cement has been widely used as an useful biopolymeric material to fix bone using artificial prostheses. However, many patients had to be reoperated, due to the poor mechanical and thermal properties of conventional PMMA bone cement, which are derived from the presence of unreacted MMA liquid, the shrinkage and bubble formation that occur during the curing process of the bone cement, and the high curing temperature ($above 100^{\circ}C$) which has to be used. In the present study, a composite PMMA bone cement was prepared by impregnating conventional PMMA bone cement with ultra high molecular weight polyethylene (UHMWPE) powder, in order to improve its mechanical and thermal properties. The UHMWPE powder has poor adhesion with other biopolymeric materials due to the inertness of the powder surface. Therefore, the surface of the UHMWPE powder was modified with two kinds of silane coupling agent containing amino groups (3-amino propyltriethoxysilane ($TSL 8331^{R}$) and N-(2-aminoethyl)-3-(amino propyltrimethoxysilane) ($TSL 8340^{R}$)), in order to improve its bonding strength with the conventional PMMA bone cement. The tensile strengths of the composite PMMA bone cements containing $3 wt\%$ of the UHMWPE powder surface-modified with various ratios of $TSL 8331^{R}$ and $TSL 8340^{R}$ were similar or a little higher than that of the conventional PMMA bone cement. However, no significant difference in the tensile strengths between the conventional PMMA bone cement and the composite PMMA bone cements could be found. However, the curing temperatures of the composite PMMA bone cements were significantly decreased.