• Title/Summary/Keyword: hydrophobic group

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Docking and Quantitative Structure Activity Relationship studies of Acyl Guanidines as β-Secretase (BACE1) Inhibitor

  • Hwang, Yu Jin;Im, Chaeuk
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2065-2071
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    • 2014
  • ${\beta}$-Secretase (beta-amyloid converting enzyme 1 [BACE1]) is involved in the first and rate-limiting step of ${\beta}$-amyloid ($A{\beta}$) peptides production, which leads to the pathogenesis of Alzheimer's disease(AD). Therefore, inhibition of BACE1 activity has become an efficient approach for the treatment of AD. Ligand-based and docking-based 3D-quantitative structure-activity relationship (3D-QSAR) studies of acyl guanidine analogues were performed with comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) to obtain insights for designing novel potent BACE1 inhibitors. We obtained highly reliable and predictive CoMSIA models with a cross-validated $q^2$ value of 0.725 and a predictive coefficient $r{^2}_{pred}$ value of 0.956. CoMSIA contour maps showed the structural requirements for potent activity. 3D-QSAR analysis suggested that an acyl guanidine and an amide group in the $R_6$ substituent would be important moieties for potent activity. Moreover, the introduction of small hydrophobic groups in the phenyl ring and hydrogen bond donor groups in 3,5-dichlorophenyl ring could increase biological activity.

A Fast and Sensitive Method for the Simultaneous Determination and Quantification of Six Anionic Surfactants in Surface Water using HILIC-ESI-MS Technique

  • Dash, Upendra N.;Paul, Saroj Kumar
    • Mass Spectrometry Letters
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    • v.3 no.3
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    • pp.78-81
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    • 2012
  • The hydrophobic hydrocarbon chain and the polar sulfate group confer surfactant properties and enable them to be used as anionic surfactants. Anionic surfactants (AS) are known for their adverse impact on environment, particularly on aquatic ecosystem. In the present study a fast, sensitive and selective method for the determination and subsequent quantification of six anionic surfactants was developed using hydrophilic interactive liquid chromatography (HILIC) coupled to a electrospray ionization (ESI) mass spectrometer (MS), in the concentration range 15-20 ${\mu}g/L$. The capability of the method was established using regression analysis and ANOVA. The method performance was evaluated by analyzing real time surface water spiked with 1-dodecyl hydrogen sulfate at 15 ${\mu}g/L$. Combined efficiency of solid phase extraction and MS detection established recovery of 89% in presence of natural matrix. These results point out that HILIC coupled to multistage MS procedures can be a powerful technique for environmental applications concerning the screening of polar contaminants.

Characteristic Studies of Plasma Treated unidirectional Hildegardia Populifolia Fabric

  • Prasad, C. Venkata;Lee, D.W.;Sudhakara, P.;Jagadeesh, D.;Kim, B.S.;Bae, S.I.;Song, J.I.
    • Composites Research
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    • v.26 no.1
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    • pp.54-59
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    • 2013
  • This study deals with effect of plasma treatment on the properties of unidirectional ligno cellulosic fabric Hildegardia Populofolia (HDP) fabric. Thermal stability of the fabric was determined by differential scanning calorimetry (DSC) and Thermo gravimetric analysis (DSC). Morphological properties was analyzed by SEM analysis and found that the surface was rough upon plasma treatment which provides good interfacial adhesion with matrix during composite fabrication. Thermal stability and mechanical properties of the plasma treated fabric slightly increases compare to alkali and untreated fabric. It was observed that tensile properties of the fabric increases upon plasma treatment due to the formation of rough surface. SEM analysis indicates formation of rough surface on plasma treatment which helps in increasing the interfacial interaction between the matrix (hydrophobic) and fabric (hydrophilic).

Suspension Stability of Pigments in Aqueous Solution of Anionic Oligo-Type Surfactants(part 3);Synthesis of Anionic Oligo Surfactant having Fluorescent Intensity and Their Properties (올리고머형 음이온성계면활성제 수용액에서 안료의 분산안정성(제 3보);형광성이 큰 올리고머 계면활성제의 합성 및 그의 계면성)

  • Lee, H.W.;Lee, J.H.;Ju, M.J.;Nam, K.D.
    • Journal of the Korean Applied Science and Technology
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    • v.14 no.1
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    • pp.109-115
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    • 1997
  • Fluorescent anionic oligo surfactants were synthesized by the condensing products of long chain alkylvinylether-maleic anhydride cooligomers and resorcinol including dye structures. Their various surface activities and dispersing action were studied on the aqueous solution. These oligo surfactants exhibited a remarkable surface tension lowering property, lower foaming and a large dispersing action for the particles of ${\alpha}-copper$ phthalocyanine blue. Further it was ascertained that the binding of oligo surfactant onto the pigment surface caused the deviation towards lower wavelengths at the maximum fluorescent intensity as compared with aqueous oligo surfactant solutions, These surface active properties of the oligo surfactants may be attributed to rigid and hydrophobic structure of dye groups, besides surface-active groups of alkylether groups and carboxylic group of the anionic oligo surfactants.

Effect of Alkali Surface Modification on Adhesion Strength between Electroless-Plated Cu and Polyimide Films (알카리 표면개질 처리가 무전해 구리 도금피막과 폴리이미드 필름의 접합력에 미치는 효과)

  • Son, Lee-Seul;Lee, Ho-Nyun;Lee, Hong-Kee
    • Journal of the Korean institute of surface engineering
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    • v.45 no.1
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    • pp.8-14
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    • 2012
  • The effects of the alkali surface modification process on the adhesion strength between electroless-plated Cu and polyimide films were investigated. The polyimide surfaces were effectively modified by alkali surface treatments from the hydrophobic to the hydrophilic states, and it was confirmed by the results of the contact angle measurement. The surface roughness increased by alkali surface treatments and the adhesion strength was proportional to the surface roughness. The adhesion strength of Cu/polyimide interface treated by KOH + EDA (Ethylenediamine) was 874 gf/cm which is better than that treated by KOH and KOH + $KMnO_4$. The results of XPS spectra revealed that the alkali treatment formed oxygen functional groups such as carboxyl and amide groups on the polyimide films which is closely related to the interfacial bonding mechanism between electroless-plated Cu and polyimide films. It could be suggested that the species and contents of functional group on polyimide films, surface roughness and contact angle were related with the adhesion strength of Cu/polyimide in combination.

Enhanced Blood Compatibility of PEO-Grafted and Sulfonated Polyurethanes (폴리에틸렌옥사이드 및 설폰산이 결합되어 혈액적합성이 개선된 개질 폴리우레탄)

  • Han, D.K.;Jeong, S.Y.;Ahn, K.D.;Kim, Y.H.;Kim, U.Y.;Cho, H.I.;Min, B.G.;Choi, J.W.
    • Proceedings of the KOSOMBE Conference
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    • v.1989 no.05
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    • pp.5-6
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    • 1989
  • Polyurethane surface was chemically modified to have different hydrophilic polyethyleneoxide(PEO)/hydrophobic dodecanediol(DDO) groups and negatively charged sulfonate group to investigate the effect to the antithrombogenicity. The hydrophilicity of the surface was significantly increased after PEO grafting or sulfonation. Lowering in-vitro platelet adhesion led to a prologation in the ex-vivo occlusion time. Especially, the sulfonated PU-PEO surface showed most enhanced blood compatibility due to the synergistic effects of PEO and $SO_3$ groups.

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Structure analysis of polymeric micelles using SANS (중성자 소각 산란(Small Angle Neutron Scattering)을 이용한 모델 고분자 미셀의 구조 분석)

  • Tae, Gi-Yoong
    • Journal of the Korean Vacuum Society
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    • v.14 no.3
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    • pp.115-118
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    • 2005
  • Structure analysis of model polymeric micelles, both for non-asosciative and associative cases is done by small angle neutron scattering method. Aggregation number of the hydrophobic cores and the lyotropic ordering transitions of aqueous solutions of poly(ethylene glycol)(PEG) (6 K or 10 K g/mol) end-capped with perfluoroalkyl groups $(-(CH_2)_2C_OnF_{2n+1}$ (n =6,8, or 10) are characterized. Aggregation number is mainly determined by the hydrophobe end group only, and is insensitive to polymer concentration or temperature. Also, there is no difference between non-associative micelles and associative micelles in terms of aggregation number. The model systems order into a BCC structure with increasing concentration.

Antimicrobial Peptides Derived from the Marine Organism(s) and Its Mode of Action (해양 생물 유래의 항균 펩타이드 및 작용 기작)

  • Hwang, Bo-Mi;Lee, June-Young;Lee, Dong-Gun
    • Microbiology and Biotechnology Letters
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    • v.38 no.1
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    • pp.19-23
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    • 2010
  • Recently, marine organisms are emerging as a leading group for identifying and extracting novel bioactive substances. These substances are known to possess a potential regarding not only as a source of pharmaceutical products but also their beneficial effects on humans. Among the substances, antimicrobial peptides (AMPs) specifically have attracted considerable interest for possible use in the development of new antibiotics. AMPs are characterized by relatively short cationic peptides containing the ability to adopt a structure in which cationic or hydrophobic amino acids are spatially scattered. Although a few reports address novel marine organisms-derived AMPs, their antimicrobial mechanism(s) are still remain unknown. In this review, we summarized the peptides previously investigated, such as Pleurocidin, Urechistachykinins, Piscidins and Arenicin-1. These peptides exhibited significant antimicrobial activities against human microbial pathogens without remarkable hemolytic effects against human erythrocytes, and their mode of actions are based on permeabilization of the plasma membrane of the pathogen. Therefore, the study of antimicrobial peptides derived from marine organisms may prove to be useful in the design of future therapeutic antimicrobial drugs.

Effect of Co-initiator on the Size Distribution of the Stable Poly(Styrene-co-Divinylbenzene) Microspheres in Acetone/Water Mixture

  • Choi, Jin-Young;Lee, Kang-Seok;Lee, Byung-Hyung;Choe, Soon-Ja
    • Macromolecular Research
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    • v.17 no.7
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    • pp.483-490
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    • 2009
  • Stable poly(styrene-co-divinylbenzene) [P(St-co-DVB)] micro spheres with narrow size distribution were synthesized in the presence of 2,2'-azobis(2,4-dimethyl valeronitrile) (V-65) and co-initiator in an acetone/water mixture in the precipitation polymerization at $53^{\circ}C$ for 24 h. Potassium peroxodisulfate (KPS), ammonium peroxodisulfate (APS) and sodium peroxodisulfate (NaPS) were used as co-initiators. The optimum ratio of acetone to water for the formation of a narrow distribution of P(St-co-DVB) particles was 49:11 (g/g). The optimum co-initiator compositions for narrow distribution were 9:1 (g/g) for V-65 to KPS, 11:1 for V-65 to APS and 6:1 for V-65 to NaPS. The yield for these compositions was $54{\sim}57%$ and the largest particle size was obtained with the lowest zeta-potential and CV values. From the XPS measurements, the charge density was increased but the zeta potential decreased with increasing sulfur content, implying that the sulfate group provides the electrostatic stabilization on the particle surface. This suggested that the self-crosslinking between styrene and DVB, the electrostatic stabilization of initiators, and the balanced hydrophobic and hydrophilic properties of the solvents are responsible for the formation of stable P(St-co-DVB) spherical particles with narrow size distribution.

Surface Analysis and Electrical Properties for Complex with Concentration of Metal ion in LB Ultra-thin Films Using IMI-O Polymer (IMI-O 고분자 LB막의 금속 이온의 착체 농도에 따른 전기특성 및 표면분석)

  • Jung, S.B.;Yoo, S.Y.;Park, J.C.;Kwon, Y.S.
    • Proceedings of the KIEE Conference
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    • 2000.07c
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    • pp.1711-1713
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    • 2000
  • We fabricated an IMI-O polymer containing an imidazole group that could form a complex structure between the monolayer and the metal ions at the air-water interface. Also, the surface analysis and the electrical properties of metal ion complex of Langmuir-Blodgett (LB) films were investigated by using $\pi$-A isotherms. Atomoic force microscopy (AFM), current-voltage (I-V) measurements. In the $\pi$-A isotherms the molecular area was expanded with $Fe^{3+}$ concentration increase. It is considered that the expansion of molecular area is due to electrostatic repulsion between the polymer chains and hydrophobic increase of ionic strength. In the I-V characteristics, it is found that the limiting area has effects on the change of conductivity. And, the dielectric relaxation time decreased for increase of the $Fe^{3+}$ concentration.

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