• Molecular & Cellular Toxicology
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• 제4권4호
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• pp.307-310
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• 2008

AAD16034 is an alginate lyase from Pseudoalteromonas sp. IAM14594. A very close homologue with known 3D structure exists (marine bacterium Pseudoalteromonas sp. strain no. 272). A three-dimensional structure of AAD16034 was generated based on this template (PDB code: 1J1T) by comparative modeling. The modeled enzyme exhibited a jelly-roll like structure very similar to its template structure. Both enzymes possess the characteristic alginate sequence YFKhG+Y-Q. Since AAD16034 displays enzymatic activity for poly-M alginate, docking of a tri-mannuronate into the modeled structure was performed. Two separate and adjacent binding sites were found. The ligand was accommodated inside each binding site. By considering both binding sites, a plausible binding pose for the poly-M alginate polymer could be deduced. From the modeled docking pose (i.e., the most important factor that attracts alginate polymer into this lyase) the most likely interaction was electrostatic. In accordance with a previous report, the hydroxyl group of Y345 was positioned close to the ${\alpha}$-hydrogen of ${\beta}$-mannuronate, which was suitable to initiate a ${\beta}$-elimination reaction. K347 was also very near to the carboxylatemoiety of the ligand, which might stabilize the dianion intermediate during the ${\beta}$-elimination reaction. This implies that the characteristic alginate sequence is absolutely crucial for the catalysis. These results may be exploited in the design of novel enzymes with desired properties.

• Journal of Pharmaceutical Investigation
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• 제40권2호
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• pp.85-90
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• 2010

Docetaxel-loaded liposomes were prepared by emulsion-solvent evaporation method, then coated with chitosan at room temperature and lyophilized. This system was designed in order to improve solubility and stability of docetaxel in the GI tract for oral drug delivery. The solubilizing effect of some frequently used solubilizers and/or liposome was determined. Among the results docetaxel-loaded liposomes prepared with 0.5% TPGS as a solubilizer showed 100-fold higher solubility than docetaxel. In a stability test, mean particle size of different liposome formulations was measured by a particle size analyzer in simulated gastric fluid (SGF) and in simulated intestinal fluid (SIF). The particle size of uncoated liposomes was significantly increased compared with that of chitosan-coated liposomes in SGF, however, there was no significant difference between coated and uncoated liposome in SIF. It is evident that chitosan-coated liposomes were more stable in GI conditions. The release characteristics of docetaxel-loaded liposomes were also investigated in three buffer solutions (pH 1.2, 4.0, 6.8). Docetaxel release did not occur in pH 1.2 for 4 hrs. However, in pH 4.0 and 6.8 conditions, docetaxel was gradually released over 24 hrs as a sustained release. It seems that aggregation and precipitation of particles by electrostatic interaction might protect docetaxel from being released. In Conclusion, the results from this study show that the chitosan-coated liposomes may be useful in enhancing solubility and GI stability of docetaxel.

• 공업화학
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• 제25권6호
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• pp.607-612
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• 2014

이산화지르코늄 표면에 흡착되는 금 입자의 분포 또는 그 반대 경우의 분포에 영향을 끼칠 수도 있는 정전기적 상호작용과 금 입자를 코팅한 mercaptoundecanoic acid층의 표면물성을 규명하였다. 이를 위하여, 원자힘현미경(AFM)으로 mercaptoundecanoic acid층 표면과 이산화지르코늄표면 사이의 표면힘을 염 농도와 pH 값에 따라 측정하였다. 측정된 힘은 Derjaguin-Landau-Verwey-overbeek (DLVO) 이론에 의해 표면의 정량적인 전하밀도와 포텐셜 값들로 전환되었다. 이 값들이 염 농도와 pH에 따라 달라지는 특성을 질량보존의 법칙으로 기술하였으며, 산출된 표면 특성의 염 농도 의존성은 이론적으로 예측했던 결과와 일치하는 것으로 확인되었다. Mercaptoundecanoic acid층의 표면이 이산화지르코늄 표면보다 높은 전하밀도와 포텐셜을 갖는 것이 발견되었는데, 이는 mercaptoundecanoic acid층의 이온화 기능기에 기인한 것으로 생각된다.

• 한국산학기술학회논문지
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• 제16권8호
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• pp.5586-5590
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• 2015

본 논문에서는 DNA 분자를 나노 소자에 응용하기 위하여, 금 전극 사이에 DNA 분자를 간단하고 효율적으로 정렬하기 위한 연구를 수행하였다. DNA를 코팅한 나노소자의 제작을 위하여 $SiO_2/Si$ 기판위에 photo-lithograpy 공정에 의해 형성되어진 금 전극 위에 2-Aminoethanthiol(AET)을 코팅하였다. AET는 양전하를 띄는 $NH^{3+}$를 가지고 있어서 음전하를 띄는 DNA 분자와 정전기적 상호 작용에 의하여 강하게 결합하게 된다. 이러한 원리에 의해 AET가 코팅 되어진 금 전극(AET-금 전극) 사이에 DNA 용액을 도포함으로서 금 전극들 사이에 DNA 분자를 간단하고 효율적으로 정렬시킬 수 있다. 두 전극 사이에 정렬되어진 DNA 분자는 AFM(Atomic force microscope)을 이용하여 조사하였으며, Au 전극 위에 코팅되어지는 AET 농도 변화에 따라 두 전극 사이에 정렬되어지는 DNA-bridge가 단일 형태에서 번들 형태로 변화하는 것을 확인하였다.

• 한국염색가공학회지
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• 제13권2호
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• pp.28-28
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• 2001

Four kinds of neutral sodium salts with different anions, NaF, NaCl, NaBr, and NaI, were added to the dye bath to accurately understand the effect of anions on the reactive dyeing of silk with C. I. Reactive Black 5. The sodium cation lowered the negative surface potential of the silk and increased the dye-uptake on fille fabric as reported previously. However, because of the discrepancy in the anions′inhibition power from cation′s lowering the surface negative potential the amount of the dye on the silk fiber was different from each other in the order of $F^-\;>\;Cl^-\;>\; Br^-\;>\;I^-$. The activation energy($E_a$) for the dyeing was in the order of $F^-\;>\;Cl^-\;>\; Br^-\;>\;I^-$ but the dye-uptake on the fabric and the activation free energy(Δ$G^*$), the real energy barrier for the reaction, were in the order of $F^-\;>\;Cl^-\;>\; Br^-\;>\;I^-$ because the strength of the interaction of the anions with sodium cations was the same as the order of the latter. In other words $F^-$ exerted the weakest electrostatic force on $Na^+$and competed with the dyestuff anions least of all. The decrease in Δ$S^*$may be due to the looesly bonded activated complex of dyestuff anions, sodium cations and fiber molecules at transition state. It was clarified from the Bronsted equation that sodium salts with different anions also had fille ionic strength effect and the specific salt effect on the reactive dyeing.

• 폴리머
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• 제28권6호
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• pp.502-508
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• 2004

암을 치료하기 위한 양이온성 리포솜은 화학치료요법의 분야에서 발전되어 왔다. 양이온성 리포솜은 음이온성의 세포 표면에 정전기적 상호작용에 의해 결합이 된다. 본 연구의 목적은 음이온성 세포와 이온결합을 할 수 있는 양이온성 리포솜을 제조하는 것이다. 양이온성 리포솜은 지질인 1,2-디스테로일-sn-글리콜-3-포스포에탄올아민 (DSPE)과 양이온성 고분자인 폴리에틸렌이민 (PEI)을 그라프트 중합으로 합성된 물질로부터 제조하였다. 리포솜 표면의 이온 특성은 제타 포텐셜을 측정하여 확인하였다. 소 혈청 수용액에서 리포솜의 혈장 단백질 흡착 특성은 입자 크기와 탁도 변화를 측정하여 확인하였다. 완충 용액 속에서 리포솜 안정성을 예측하기 위하여 입자 크기를 7일 동안 상온에서 측정하였다. 양이온성 리포솜은 소 혈청 수용액에서 많은 양의 혈장 단백질이 흡착되었다. 이는 혈장 단백은 음전하를 가지고 있어서 양이온성 리포솜의 표면과 잘 붙기 때문이다. 양이온성 폴리에틸렌이민을 이용한 리포솜의 표면 변형은 소 혈청 수용액 내에서 단백질 흡착을 강화시킨다는 것을 예상하게 한다. 또한, 제조된 리포솜의 완충 용액 내에서 7일 동안 안정한 상태임을 관찰하였다.

• 멤브레인
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• 제22권5호
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• pp.326-331
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• 2012

수중 이 취미를 유발시키는 대표적인 미량오염물질인 2-methylisoborneal (MIB)과 geosmin(지오스민)의 배제율을 소수성 polyethersulfone (PES) 나노분리막(분획분자량 : 400 Da)을 적용하여 다양한 용액조성에서 관찰하였다. 실험결과 적용된 모든 조건에서 지오스민이 2-MIB보다 다소 높은 배제율을 나타내었다. 용액의 pH 효과를 관찰한 결과 pH가 증가할수록 2-MIB와 지오스민 양쪽 모두 배제율이 증가하는 경향을 나타내었다. 한편, 수중 자연유기물질의 존재는 두 미량유기물질의 배제율을 크게 증가시켰으며 이와 같은 현상은 높은 pH일수록 더욱 뚜렷하게 나타났다. 소수성 분리막을 친수성 $TiO_2$ 입자로 표면코팅 시킨 후 배제율을 관찰한 결과 분리막의 표면을 친수화한 후 소수성인 2-MIB와 지오스민의 배제율은 증가하는 경향을 나타내었다. 따라서 소수성 상호작용은 미량유기물질 나노여과 배제율의 중요한 기작 중 하나임을 확인할 수 있었다.

• Journal of Microbiology and Biotechnology
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• 제16권9호
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• pp.1434-1440
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• 2006

The stable anchorage of pyridoxal 5'-phosphate (PLP) in the active site of D-amino acid transaminase (D-AT) is crucial for the enzyme catalysis. The three-dimensional structure of D-AT revealed that Glu32 is one of the active site groups that may playa role in PLP binding. To prove the role of Glu32 in PLP stability, we firstly checked the rate of the potential rate-limiting step. The kinetic analysis showed that the rate of the ${\alpha}$-deprotonation step reduced to 26-folds in E32A mutant enzyme. Spectral analyses of the reaction of D-AT with D-serine revealed that the E32A mutant enzyme failed to stabilize the key enzyme-substrate intermediate, namely a quinonoid intermediate (E-Q). Finally, analysis of circular dichroism (CD) on the wild-type and E32A mutant enzymes showed that the optical activity of PLP in the enzyme active site was lost by the removal of the carboxylic group, proving that Glu32 is indeed involved in the cofactor anchorage. The results suggested that the electrostatic interaction network through the groups from PLP, Glu32, His47, and Arg50, which was observed from the three-dimensional structure of the enzyme, plays a crucial role in the stable anchorage of the cofactor to give necessary torsion to the plane of the cofactor-substrate complex.

• Bulletin of the Korean Chemical Society
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• 제30권1호
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• pp.205-213
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• 2009

This study reports on the geometry optimizations and electronic structure calculations for methyl pyropheophorbide (MPPa), tropolonyl methyl pyropheophorbides (TMPPa, ITMPPa), and cationic tropolonyl methyl pyropheophorbides ($TMPPa^+{{\cdot}BF_4}^-,\;ITMPPa^+{{\cdot}BF_4}^-,\;TMPPa^+,\;and\;ITMPPa^+$) using Local Spin Density Approximation (LSDA/ 6-31G*) and the Restricted Hatree-Fock (RHF/6-31G*) level theory. From the calculated results, we found that substituted cationic tropolonyl groups have larger structural effects than those of substituted neutral tropolonyl groups. The order of structural change effects is $ITMPPa^+ > ITMPPa^+{{\cdot}BF_4}^-$ > ITMPPa, as a result of the isopropyl group. Because it is an electron-releasing group, the substituted isopropyl group electronic effect on a 3-position tropolone increases the Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital (HOMO-LUMO) energy gap. It was constituted that the larger the cationic characters of these photosensitizers, the smaller the HOMOLUMO band gaps are. The orbital energies of the cationic systems and the ions are stronger than those of a neutral system because of a strong electrostatic interaction. However, this stabilization of orbital energies are counteracted by the distortion of chlorin macrocycle, which results in a large destabilization of chlorin-based compound HOMOs and smaller destabilization of LUMOs as shown in TMPPa (ITMPPa), $TMPPa^+{{\cdot}BF_4}^- (ITMPPa^+{{\cdot}BF_4}^-),\;and\;TMPPa^+\;(ITMPPa^+)$ of Figure 6 and Table 6-7. These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

• 대한화학회지
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• 제57권6호
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• pp.703-711
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• 2013

In the present investigation, kinetic studies of oxidation of formic acid with and without catalyst and promoter in aqueous acid media were studied under the pseudo-first order conditions [formic acid]T ${\gg}[Cr(VI)]_T$ at room temperature. In the 1,10-phenanthroline (phen) promoted path, the cationic Cr(VI) phen complex is the main active oxidant species undergoes a nucleophilic attack by the substrate to form a ternary complex which subsequently experiences a redox decomposition through several steps leading to the products $CO_2$ and $H_2$ along with the Cr(III) phen complex. The anionic surfactant (i.e., sodium dodecyl sulfate, SDS) and neutral surfactant (i.e., Triton X-100, TX-100) act as catalyst and the reaction undergo simultaneously in both aqueous and micellar phase with an enhanced rate of oxidation in the micellar phase. Whereas the cationic surfactant (i.e., N-cetyl pyridinium chloride, CPC) acts as an inhibitor restricts the reaction to aqueous phase. The observed net enhancement of rate effects has been explained by considering the hydrophobic and electrostatic interaction between the surfactants and reactants. The neutral surfactant TX-100 has been observed as the suitable micellar catalyst for the phen promoted chromic acid oxidation of formic acid.