• Title/Summary/Keyword: Structural Modification

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Evaluation of Healing Properties of Asphalt Mixtures (아스팔트 혼합물의 손상회복 특성 평가)

  • Kim, Boo-Il
    • International Journal of Highway Engineering
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    • v.7 no.2 s.24
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    • pp.69-76
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    • 2005
  • While the repeated traffic loading accumulates the damage of asphalt pavement, the damage has being healed during rest periods. And then, this healing enhances the fatigue life of asphalt pavement. A method was developed to determine the healing rate of asphalt mixture in terms of recovered dissipated creep strain energy (DCSE) per unit time, and the healing properties of four different asphalt mixtures were evaluated. The test procedure consists of repeated loading test and periodical resilient modulus tests. A normalized healing rate in terms of $DCSE/DCSE_{applied}$ was defined to evaluate the healing properties independently of the amount of damage incurred in the mixture. From the test results, it was concluded that the healing rates of asphalt mixtures were increased exponentially as the temperature was increased and more affected by the structural characteristics of mixture such as asphalt content than the binder characteristics such as the polymer modification.

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Naphthazarin Derivatives: Synthesis, Inhibition of DNA Topoisomerase-I and Antitumor Activity

  • Ahn, B-Z;Kim, Y;You, Y-J;Chung, S-K;Kim, K-S;Song, G-Y;Sok, D-E
    • Proceedings of the Korean Society of Applied Pharmacology
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    • 1997.04a
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    • pp.109-109
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    • 1997
  • Inhibitory effect on DNA topoisomerase-I, rate of glutathione conjugation and cytotoxicity of naphthoquinone derivatives were correlated. During 5 min exposure of the derivatives to glutathione (GSH), it was found that 14% of 5,8-dimethoxy-1,4-naphthoquinone(DMNQ) was converted into a GSH-conjugate, whereas 5,8-dihydroxy-1,4-naphthoquinone(DHNQ) did not interact with GSH, implying that DMNQ exerted higher electrophilicity than DHNQ. However, DHNQ (IC$\_$50/, 0.15 ${\mu}$M) showed stronger cytotoxicity in L1210 cells than DMNQ(IC$\_$50/, 0.45 ${\mu}$M). The stronger cytotoxicity of DHNQ, compared to DMNQ, could be ascribed to more rapid redox cycling. Both naphthoquinones (IC$\_$50/, 60-65 ${\mu}$M) exhibiting about the same inhibitory effect on DNA topoisomerase-I were more potent than 1,4-naphthoquinone(1,4-NQ, IC$\_$50/, 134 ${\mu}$M). Thus, 5,8-oxy groups in the structure seem to be important for the inhibition of the enzyme. DMNQ showed a broader dose range while maintaining a good antitumor activity against S-180 fluid tumor. For these reasons, DMNQ was taken as useful pharmacophore for structural modification. Introduction of 1-hydroxyalkyl groups at C-2 of DMNQ lowered all of the activities mentioned above, while acetylation of 1-hydroxyalkyl moiety enhanced the activities by 4-5 times. Introduction of the same side chains at C-6 exhibited stronger activities than 2-substituted ones. Based on these results it was suggested that the quinonoid moiety in 6-substituted DMNQ was more exposed to cellular nucleophiles such as DNA, thiols of enzymes and so on. The synthesis of DHNQ or DMNQ derivatives are going on, and the corelationship between structure-activity will be discussed.

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Modification of GCC with Poly-DADMAC and PSS with Different Molecular Weights and its Effect on the Paper Properties (Poly-DADMAC과 PSS의 분자량을 달리한 중질탄산칼슘의 개질과 종이 물성에 미치는 영향)

  • Ahn, Jungeon;Lee, Jegon;Lee, Hye Yoon;Youn, Hye Jung;Lee, Hak Lae
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.44 no.5
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    • pp.21-31
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    • 2012
  • In this study, we modified the surface of ground calcium carbonate (GCC) with polyelectrolytes with different molecular weight using Layer-by-Layer (LbL) multilayering technique and investigated its effect on the paper properties. Polydiallydimethylammonium chloride (poly-DADMAC) and poly sodium 4-styrene sulfonate (PSS) which have different molecular weights were used for LbL multilayering. Zeta potential and particle size of the LbL modified GCC were measured. After preparation of handsheets, their structural and mechanical properties were evaluated. The zeta potential and average particle size of the modified GCC were affected by the molecular weight of anionic polyelectrolyte (PSS). The zeta potential was higher and the particle size was smaller when GCC was treated by PSS with high molecular weight compared to the case with low molecular weight of PSS. The tensile and internal bond strength of the handsheets was increased with an increase in the number of layers on GCC particles, but the molecular weight of polyelectrolyte did not significantly affect the paper strength.

Earthquake Response Characteristics of a Port Structure According to Exciting Frequency Components of Earthquakes (가진 주파수성분에 따른 항만구조물의 지진응답특성에 관한 연구)

  • Kim Doo Kie;Ryu Hee Ryong;Seo Hyeong Yeol;Chang Seong Kyu
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.17 no.1
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    • pp.41-46
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    • 2005
  • The seismic response characteristics of a port structure were investigated by the earthquake analyses of the structure subjected to high-, low-frequency component, and Uljin earthquakes. In the Fluid-Structure-Soil Interaction(FSSI) analysis, the fluid is modeled by the 4-node quadrilateral element which is a modification of a structural plane element, and the port structure and foundation is modelled by the plane strain element. Since the present method directly models the fluid-structure-soil interaction system using finite element method, it can be easily applied to the dynamic analysis of a 2-D fluid-port-soil system with complex geometry. The results of the seismic coefficient. added mass, and FSSI methods are compared. The results showed that the earthquake with high frequency components more affects the seismic response of the structure than that of low frequency components.

An investigation of seismic parameters of low yield strength steel plate shear walls

  • Soltani, Negin;Abedi, Karim;Poursha, Mehdi;Golabi, Hassan
    • Earthquakes and Structures
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    • v.12 no.6
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    • pp.713-723
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    • 2017
  • Steel plate shear walls (SPSWs) are effective lateral systems which have high initial stiffness, appropriate ductility and energy dissipation capability. Recently, steel plate shear walls with low yield point strength (LYP), were introduced and they attracted the attention of designers. Structures with this new system, besides using less steel, are more stable. In the present study, the effects of plates with low yield strength on the seismic design parameters of steel frames with steel plate shear walls are investigated. For this purpose, a variety of this kind of structures with different heights including the 2, 5, 10, 14 and 18-story buildings are designed based on the AISC seismic provisions. The structures are modeled using ANSYS finite element software and subjected to monotonic lateral loading. Parameters such as ductility (${\mu}$), ductility reduction ($R_{\mu}$), over-strength (${\Omega}_0$), displacement amplification ($C_d$) and behavior factor (R) of these structures are evaluated by carrying out the pushover analysis. Analysis results indicate that the ductility, over-strength and behavior factors decrease by increasing the number of stories. Also, the displacement amplification factor decreases by increasing the number of stories. Finally, the results were compared with the suggestions provided in the AISC code for steel plate shear walls. The results indicate that the values for over-strength, behavior and displacement amplification factors of LYP steel plate shear wall systems, are larger than those proposed by the AISC code for typical steel plate shear wall systems.

Improvement of Enzymatic Stability and Catalytic Efficiency of Recombinant Fusariumoxysporum Trypsin with Different N-Terminal Residues Produced by Pichiapastoris

  • Yang, Ning;Ling, Zhenmin;Peng, Liang;Liu, Yanlai;Liu, Pu;Zhang, Kai;Aman, Aman;Shi, Juanjuan;Li, Xiangkai
    • Journal of Microbiology and Biotechnology
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    • v.28 no.9
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    • pp.1482-1492
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    • 2018
  • Fusarium oxysporum trypsin (FOT) is a fungal serine protease similar to mammal trypsin. The FOT could be successfully expressed in Pichiapastoris by engineering the natural propeptide APQEIPN. In this study, we constructed two recombinant enzymes with engineered amino acid sequences added to the N-terminus of FOT and expressed in P. pastoris. The N-terminal residues had various effects on the structural and functional properties of trypsin. The FOT, and the recombinants TE (with peptide YVEF) and TS (with peptide YV) displayed the same optimum temperature ($40^{\circ}C$) and pH (8.0). However, the combinants TE and TS showed significantly increased thermal stability at $40^{\circ}C$ and $50^{\circ}C$. Moreover, the combinants TE and TS also showed enhanced tolerance of alkaline pH conditions. Compared with those of wild-type FOT, the intramolecular hydrogen bonds and the cation ${\pi}$-interactions of the recombinants TE and TS were significantly increased. The recombinants TE and TS also had significantly increased catalytic efficiencies (referring to the specificity constant, $k_{cat}/K_m$), 1.75-fold and 1.23-fold than wild-type FOT. In silico modeling analysis uncovered that the introduction of the peptides YVEF and YV resulted in shorter distances between the substrate binding pocket (D174, G198, and G208) and catalytic triad (His42, Asp102, and Ser180), which would improve the electron transfer rate and catalytic efficiency. In addition, N-terminal residues modification described here may be a useful approach for improving the catalytic efficiencies and characteristics of other target enzymes.

Differential Expression of O-glycoprotein Glycans in Cholangiocarcinoma Cell Lines

  • Talabnin, Krajang;Talabnin, Chutima;Ishihara, Mayumi;Azadi, Parastoo;Wongkham, Sopit;Sripa, Banchob
    • Asian Pacific Journal of Cancer Prevention
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    • v.17 no.2
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    • pp.691-695
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    • 2016
  • Protein glycosylation is the most common posttranslational modification in mammalian cells. Aberrant protein glycosylation has been reported in various diseases, including cancer. We identified and quantified the glycan structures of O-linked glycoprotein from cholangiocarcinoma (CCA) cell lines from different histological types and compared their profiles by nanospray ionization-linear ion trap mass spectrometry (NSI-$MS^n$). Five human CCA cell lines, K100, M055, M139, M213 and M214 were characterized. The results showed that the O-linked glycans of the CCA cell lines comprised tri- to hexa-saccharides with terminal galactose and sialic acids: NeuAc1Gal1GalNAc1, Gal2GlcNAc1GalNAc1, NeuAc2Gal1GalNAc1 NeuAc1Gal2GlcNAc1GalNAc1 and NeuAc2Gal2GlcNAc1GalNAc1 All five CCA cell lines showed a similar glycan pattern, but with differences in their quantities. NeuAc1Gal1GalNAc1 proved to be the most abundant structure in poorly differentiated adenocarcinoma (K100; 57.1%), moderately differentiated adenocarcinoma (M055; 42.6%) and squamous cell carcinoma (M139; 43.0%), while moderately to poorly differentiated adenocarcinoma (M214; 40.1%) and adenosquamous cell carcinoma (M213; 34.7%) appeared dominated by $NeuA_{c2}Gal_1GalNA_{c1}$. These results demonstrate differential expression of the O-linked glycans in the different histological types of CCA. All five CCA cell lines have abundant terminal sialic acid (NeuAc) O-linked glycans, suggesting an important role for sialic acid in cancer cells. Our structural analyses of glycans may provide important information regarding physiology of disease-related glycoproteins in CCA.

Computational Analysis of the 3-D structure of Human GPR87 Protein: Implications for Structure-Based Drug Design

  • Rani, Mukta;Nischal, Anuradha;Sahoo, Ganesh Chandra;Khattri, Sanjay
    • Asian Pacific Journal of Cancer Prevention
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    • v.14 no.12
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    • pp.7473-7482
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    • 2013
  • The G-protein coupled receptor 87 (GPR87) is a recently discovered orphan GPCR which means that the search of their endogenous ligands has been a novel challenge. GPR87 has been shown to be overexpressed in squamous cell carcinomas (SCCs) or adenocarcinomas in lungs and bladder. The 3D structure of GPR87 was here modeled using two templates (2VT4 and 2ZIY) by a threading method. Functional assignment of GPR87 by SVM revealed that along with transporter activity, various novel functions were predicted. The 3D structure was further validated by comparison with structural features of the templates through Verify-3D, ProSA and ERRAT for determining correct stereochemical parameters. The resulting model was evaluated by Ramachandran plot and good 3D structure compatibility was evidenced by DOPE score. Molecular dynamics simulation and solvation of protein were studied through explicit spherical boundaries with a harmonic restraint membrane water system. A DRY-motif (Asp-Arg-Tyr sequence) was found at the end of transmembrane helix3, where GPCR binds and thus activation of signals is transduced. In a search for better inhibitors of GPR87, in silico modification of some substrate ligands was carried out to form polar interactions with Arg115 and Lys296. Thus, this study provides early insights into the structure of a major drug target for SCCs.

A Novel Strategy for Thermostability Improvement of Trypsin Based on N-Glycosylation within the Ω-Loop Region

  • Guo, Chao;Liu, Ye;Yu, Haoran;Du, Kun;Gan, Yiru;Huang, He
    • Journal of Microbiology and Biotechnology
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    • v.26 no.7
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    • pp.1163-1172
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    • 2016
  • The Ω-loop is a nonregular and flexible structure that plays an important role in molecular recognition, protein folding, and thermostability. In the present study, molecular dynamics simulation was carried out to assess the molecular stability and flexibility profile of the porcine trypsin structures. Two Ω-Loops (fragment 57-67 and fragment 78-91) were confirmed to represent the flexible region. Subsequently, glycosylation site-directed mutations (A73S, N84S, and R104S) were introduced within the Ω-loop region and its wing chain based on its potential N-glycosylation sites (Asn-Xaa-Ser/Thr consensus sequences) and structure information to improve the thermostability of trypsin. The result demonstrated that the half-life of the N84S mutant at 50℃ increased by 177.89 min when compared with that of the wild-type enzyme. Furthermore, the significant increase in the thermal stability of the N84S mutant has also been proven by an increase in the Tm values determined by circular dichroism. Additionally, the optimum temperatures of the wild-type enzyme and the N84S mutant were 75℃ and 80℃, respectively. In conclusion, we obtained the thermostability-improved enzyme N84S mutant, and the strategy used to design this mutant based on its structural information and N-linked glycosylation modification could be applied to engineer other enzymes to meet the needs of the biotechnological industry.

Chemical Modification of Botryosphaeran: Structural Characterization and Anticoagulant Activity of a Water-Soluble Sulfonated ($1{\rightarrow}3$)($1{\rightarrow}6$)-${\beta}$-D-Glucan

  • Brandi, Jamile;Oliveira, Eder C.;Monteiro, Nilson K.;Vasconcelos, Ana Flora D.;Dekker, Robert F.H.;Barbosa, Aneli M.;Silveira, Joana L.M.;Mourao, Paulo A.S.;Silva, Maria De Lourdes Corradi Da
    • Journal of Microbiology and Biotechnology
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    • v.21 no.10
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    • pp.1036-1042
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    • 2011
  • The exopolysaccharide botryosphaeran ($EPS_{GLC}$; a ($1{\rightarrow}3$)($1{\rightarrow}6$)-${\beta}$-D-glucan from Botryosphaeria rhodina MAMB-05) was sulfonated to produce a water-soluble fraction ($EPS_{GLC}$-S) using pyridine and chlorosulfonic acid in formamid. This procedure was then repeated twice to produce another fraction ($EPS_{GLC}$-RS) with a higher degree of substitution (DS, 1.64). The purity of each botryosphaeran sample (unsulfonated and sulfonated) was assessed by gel filtration chromatography (Sepharose CL-4B), where each polysaccharide was eluted as a single symmetrical peak. The structures of the sulfonated and re-sulfonated botryosphaerans were investigated using ultraviolet-visible (UV-Vis), Fourier-transform infrared (FT-IR), and $^{13}C$ nuclear magnetic resonance ($^{13}C$ NMR) spectroscopies. $EPS_{GLC}$ and $EPS_{GLC}$-RS were also assayed for anticoagulation activity, and $EPS_{GLC}$-RS was identified as an anticoagulant.