• Environmental Engineering Research
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• 제15권3호
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• pp.149-156
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• 2010

The objective of this study was to investigate microbial removal using layered double hydroxides (LDHs) and iron (hydr)oxides (IHs) immobilized onto granular media. Column experiments were performed using calcium alginate beads (CA beads), LDHs entrapped in CA beads (LDH beads), quartz sand (QS), iron hydroxide-coated sand (IHCS) and hematite-coated sand (HCS). Microbial breakthrough curves were obtained by monitoring the effluent, with the percentage of microbial removal and collector efficiency then quantified from these curves. The results showed that the LDH beads were ineffective for the removal of the negatively-charged microbes (27.7% at 1 mM solution), even though the positively-charged LDHs were contained on the beads. The above could be related to the immobilization method, where LDH powders were immobilized inside CA beads with nano-sized pores (about 10 nm); therefore, micro-sized microbes (E. coli = 1.21 ${\mu}m$) could not diffuse through the pores to come into contact with the LDHs in the beads, but adhere only to the exterior surface of the beads via polymeric interaction. IHCS was the most effective in the microbial removal (86.0% at 1 mM solution), which could be attributed to the iron hydroxide coated onto the exterior surface of QS had a positive surface charge and, therefore, effectively attracted the negatively-charged microbes via electrostatic interactions. Meanwhile, HCS was far less effective (35.6% at 1 mM solution) than IHCS because the hematite coated onto the external surface of QS is a crystallized iron oxide with a negative surface charge. This study has helped to improve our knowledge on the potential application of functional granular media for microbial removal.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.911-916
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• 2012

Ion selectivity in a simple cyclic peptide nanotube, composed of four cyclo[-(D-Ala-Glu-D-Ala-Gln)$_2-$] units, is investigated by calculating the PMF profiles of $Na^+$, $K^+$, and $Cl^-$ ions permeating through the peptide nanotube in water. The final PMF profiles of the ions obtained from the umbrella sampling (US) method show an excellent agreement with those from the thermodynamic integration (TI) method. The PMF profiles of $Na^+$ and $K^+$ display free energy wells while the PMF curve of $Cl^-$ features free energy barriers, indicating the selectivity of the cyclic peptide nanotube to cations. Decomposition of the total mean force into the contribution from each component in the system is also accomplished by using the TI method. The mean force decomposition profiles of $Na^+$ and $K^+$ demonstrate that the dehydration free energy barriers by water molecules near the channel entrance and inside the channel are completely compensated for by attractive electrostatic interactions between the cations and carbonyl oxygens in the nanotube. In the case of $Cl^-$, the dehydration free energy barriers are not eliminated by an interaction between the anion and the peptide nanotube, leading to the high free energy barriers in the PMF profile. Calculations of the coordination numbers of the ions with oxygen atoms pertaining to either water molecules or carbonyl groups in the peptide nanotube reveal that the stabilization of the cations in the midplane regions of the nanotube arises from the favorable interaction of the cations with the negatively charged carbonyl oxygens.

• Asian Pacific Journal of Cancer Prevention
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• 제13권11호
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• pp.5605-5611
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• 2012

Background: In the last two decades, pioneering research on anti-tumour activity of saffron has shed light on the role of crocetin, picrocrocin and safranal, as broad spectrum anti-neoplastic agents. However, the exact mechanisms have yet to be elucidated. Identification and characterization of the targets of bioactive constituents will play an imperative role in demystifying the complex anti-neoplastic machinery. Methods: In the quest of potential target identification, a dual virtual screening approach utilizing two inverse screening systems, one predicated on idTarget and the other on PharmMapper was here employed. A set of target proteins associated with multiple forms of cancer and ranked by Fit Score and Binding energy were obtained from the two independent inverse screening platforms. The validity of the results was checked by meticulously analyzing the post-docking binding pose of the picrocrocin with Hsp90 alpha in AutoDock. Results: The docking pose reveals that electrostatic and hydrogen bonds play the key role in inter-molecular interactions in ligand binding. Picrocrocin binds to the Hsp90 alpha with a definite orientation appropriate for nucleophilic attacks by several electrical residues inside the Hsp90-alpha ATPase catalytic site. Conclusion: This study reveals functional information about the anti-tumor mechanism of saffron bioactive constituents. Also, a tractable set of anti-neoplastic targets for saffron has been generated in this study which can be further authenticated by in vivo and in vitro experiments.

• Korean Chemical Engineering Research
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• 제52권4호
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• pp.538-543
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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 Glutathione층의 표면물성을 규명하였다. 이를 위하여, 원자힘현미경(AFM)으로 Glutathione 층 표면과 이산화지르코늄표면 사이의 표면힘을 염 농도와 pH 값에 따라 측정하였다. 측정된 힘은 Derjaguin-Landau-Verwey-Overbeek(DLVO) 이론으로 해석되어 표면의 전하밀도와 포텐셜들이 정량적으로 산출되었다. 이 특성들이 염 농도와 pH에 대하여 나타내는 의존성을 질량보존의 법칙으로 기술하였다. pH 8 조건에서 실험으로 산출된 표면 특성의 염 농도 의존성은 이론적으로 예측했던 결과와 일치하는 것으로 관찰되었다. Glutathione 층의 표면이 이산화지르코늄 표면보다 높은 전하밀도와 포텐셜을 갖는 것이 발견되었는데, 이는 Glutathione 층의 이온화-기능-그룹에 기인한 것으로 생각된다.

• KSBB Journal
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• 제14권6호
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• pp.661-664
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• 1999

Lysozyme 수용액으로부터 역미셀을 이용한 Lysozyme 추출공정에서 주요변수인 pH, 이온강도, AOT 농도, 추출시간 등을 실험을 통하여 연구하였으며, 미셀내의 수분함량과 lysozyme 농도는 비례관계임을 KCl 농도변화에 따른 결과로서 알 수 있었다. 본 연구에 사용된 lysozyme의 등전점이 약 11.2로 음이온 계면활성제를 사용할 경우 추출공정에 유리함을 알 수 있었고, 추출공정(forward extraction)에서의 최적조건은 pH 6-9일 때, 그리고 0.1 M 염농도와 50 mM이하의 AOT 농도에서 가장 높은 lysozyme 추출 효율을 얻을 수 있었다. 그리고 역추출(back extraction)에서는 pH 12이상, 1M 염농도에서 Lysozyme의 가장 높은 추출 효율을 나타내었다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2004년도 추계학술대회 논문집 Vol.17
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• pp.683-686
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• 2004

In recent years, the supercapacitor and hybrid capacitor have related with substitutional energy source focused of many scientists because of their usage in power sources for electric vehicles, computers and other electric devices. The storage energy of electrical charge is based on electrostatic interactions in the electric double layer at the electrode/electrolyte interface, resulting in high rate capability and long cycle performance compared with batteries based on Faradaic electrode reactions. So we have been considered to carbon nanofibers as the ideal material for supercapacitors due to their high utilization of specific surface area, good conductivity, chemical stability and other advantages. In this work, we aimed to find out that the capacitance have increased because of electrochemical capacitance to provide by carbon nanofibers. Also carbon nanofibers based on chemical method and water treatment have been resulted larger capacitances and also exhibit better electrochemical behaviors about 15% than before of nontreated state. And also optical observations with treated and nontrteated carbon nanofibers discussed by the TEM, SEM, EDX, BET works and specific surface area analyzer. Their results also focused on the surface area of electrode and electrical capacitance was also improved by the effect of surface treatments.

• BMB Reports
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• 제31권5호
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• pp.459-467
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• 1998

A new set of functional group interaction energy descriptors relevant to the ACE (Angiotensin-Converting Enzyme) inhibitory peptide, QSAR (Quantitative Structure Activity Relationships), is presented. The functional group interaction energies approximate the charged interactions and distances between functional groups in molecules. The effective energies of the computationally derived geometries are useful parameters for deriving 3D-QSAR models, especially in the absence of experimentally known active site conformation. ACE is a regulatory zinc protease in the renin-angiotensin system. Therapeutic inhibition of this enzyme has proven to be a very effective treatment for the management of hypertension. The non bond interaction energy values among functional groups of six-feature of ACE inhibitory peptides were used as descriptor terms and analyzed for multivariate correlation with ACE inhibition activity. The functional group interaction energy descriptors used in the regression analysis were obtained by a series of inhibitor structures derived from molecular mechanics and semi-empirical calculations. The descriptors calculated using electrostatic and steric fields from the precisely defined functional group were sufficient to explain the biological activity of inhibitor. Application of the descriptors to the inhibition of ACE indicates that the derived QSAR has good predicting ability and provides insight into the mechanism of enzyme inhibition. The method, functional group interaction energy analysis, is expected to be applicable to predict enzyme inhibitory activity of the rationally designed inhibitors.

• 대한화장품학회지
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• 제44권3호
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• pp.285-293
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• 2018

코아세르베이트의 구조는 모발의 오일 및 폴리머 같은 기능성 성분 흡착에 매우 큰 영향을 준다. 본 연구의 목적은 알킬 셀룰로오스와 구아검 간 복합 코아세르베이트의 혼합물에서 그 구조적인 결합의 특성을 밝히는데 있다. 모발에 흡착되면 모발에 뻣뻣함을 부여하는 구아검 컨디셔닝 폴리머가 오일과 함께 알킬 셀룰로오스와 혼합될 경우 동일 함량 및 알킬 셀룰로오스와의 비가 3 : 1일 경우에 모발을 매우 부드럽게 함을 발견하였다. 이는 글루코스링을 백본으로 하는 양이온 알킬기 셀룰로오스 폴리머와 구아검 폴리머를 혼합하여 오일을 결합시키면, 알킬 셀룰로오스의 친수성 부위와 음이온 계면활성제가 정전기적으로 결합하고, 알킬 셀룰로오스의 4급 알킬 암모늄기에 포함되는 알킬기가 계면활성제의 소수성 부위와 함께 결합함과 동시에, 구아검 코아세르베이트가 전체적으로 안정적인 구조를 이루게 하여 많은 양의 코아세르베이트를 생성하게 하는 것을 코아세르베이트 생성양 측정 및 모발 유연성 증대를 통해 확인하였다.

• Membrane and Water Treatment
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• 제11권1호
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• pp.1-10
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• 2020

An understanding of particle-particle interactions in filtration requires studying the detachment as well as the attachment of nanoparticles. Nanoparticles captured in a granular media filter can be released by changing the physicochemical factors. In this study, the detachment of captured silver nanoparticles (AgNPs) in granular media filtration was examined under different ionic strengths, ion type, and the presence or absence of natural organic matter (NOM). Filtration velocity and ionic strength were chosen as the physical and chemical factors to cause the detachment. Increasing filtration velocity caused a negligible amount of AgNP detachment. On the other hand, lowering ionic strength showed different release amounts depending on the background ions, implying a population of loosely captured particles inside the filter bed. Overall detachment was affected by ionic strength and ion type, and to a lesser degree by NOM coating which resulted in slightly more detachment (in otherwise identical conditions) than in the absence of that coating, possibly by steric effects. The secondary energy minimum with Na ions was deeper and wider than with Ca ions, probably due to the lack of complexation with citrate and charge neutralization that would be caused by Ca ions. This result implies that the change in chemical force by reducing ionic strength of Na ions could significantly enhance the detachment compared to that caused by a change in physical force, due to a weak electrostatic deposition between nanoparticles and filter media. A modification of the 1-D filtration model to incorporate a detachment term showed good agreement with experimental data; estimating the detachment coefficients for that model suggested that the detachment rate could be similar regardless of the amount of previously captured AgNPs.

• 폴리머
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• 제29권4호
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• pp.392-398
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• 2005

Layer-by-layer(LbL) 흡착에 의한 poly(ethylene-alt-m미? anhydride) (PEMAh)/poly(4-vinyl pyridine) (P4VP) 자기조립 다층박막을 제조하였다. 자기조립 다층막을 이루는 PEMAh/P4VP 두 고분자 사이의 수소 결합과 정전기적 인력이 다층막을 이루는 원동력이라는 것이 푸리에 변환 적외선(FT-IR) 분광분석에 의해서 확인되었다. 다층막의 균일한 자기조립 과정은 PEMAh/P4VP 이중층막의 적층 수 증가에 따른 UV-vis 스펙트럼의 256 nm에서 나타나는 P4VP 특성 흡수 피크의 선형적 증가에 의해서 확인할 수 있었다. 다층막을 이루는 고분자 전해질 담지 용액의 조건 변화가 다층막 형성에 미치는 영향을 살펴보기 위하여 두 고분자 용액의 농도 및 PEMAh 담지용액의 pH를 변화시키면서 다층막을 제조하였다. 다층막의 두께, 흡착된 고분자 전해질 질량 및 표면 거칠기의 변화를 UV-vis 분광 분석, 수정진동자 미량저울(quartz crystal microbalance;QCM) 및 원자 힘 현미경(atomic force microscopy;AFM)을 이용하여 측정하였다.