• Title/Summary/Keyword: Bond mechanism

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Experimental and numerical study on pre-peak cyclic shear mechanism of artificial rock joints

  • Liu, Xinrong;Liu, Yongquan;Lu, Yuming;Kou, Miaomiao
    • Structural Engineering and Mechanics
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    • v.74 no.3
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    • pp.407-423
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    • 2020
  • The pre-peak cyclic shear mechanism of two-order asperity degradation of rock joints in the direct shear tests with static constant normal loads (CNL) are investigated using experimental and numerical methods. The laboratory testing rock specimens contains the idealized and regular two-order triangular-shaped asperities, which represent the specific geometrical conditions of natural and irregular waviness and unevenness of rock joint surfaces, in the pre-peak cyclic shear tests. Three different shear failure patterns of two-order triangular-shaped rock joints can be found in the experiments at constant horizontal shear velocity and various static constant normal loads in the direct and pre-peak cyclic shear tests. The discrete element method is adopted to simulate the pre-peak shear failure behaviors of rock joints with two-order triangular-shaped asperities. The rock joint interfaces are simulated using a modified smooth joint model, where microscopic scale slip surfaces are applied at contacts between discrete particles in the upper and lower rock blocks. Comparing the discrete numerical results with the experimental results, the microscopic bond particle model parameters are calibrated. Effects of cyclic shear loading amplitude, static constant normal loads and initial waviness asperity angles on the pre-peak cyclic shear failure behaviors of triangular-shaped rock joints are also numerically investigated.

Purification, crystallization, and preliminary X-ray diffraction data analysis for PB1 dimer of P62/SQSTM1

  • Shin, Ho-Chul;Lim, Dahwan;Ku, Bonsu;Kim, Seung Jun
    • Biodesign
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    • v.6 no.4
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    • pp.100-102
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    • 2018
  • Autophagy is a degradation pathway that targets many cellular components and plays a particularly important role in protein degradation and recycling. This process is very complex and several proteins participate in this process. One of them, P62/SQSTM1, is related to the N-end rule and induces protein degradation through autophagy. The P62/SQSTM1 makes a huge oligomer, and this oligomerization is known to play an important role in its mechanism. This oligomerization takes two steps. First, the PB1 domain of P62/SQSTM1 makes the base oligomer, and then, when the ligand binds to the ZZ domain of P62/SQSTM1, it induces a higher oligomer by the disulfide bond of the two cysteines. To understand the oligomerization mechanism of P62/SQSTM1, we need to know the dimerization of the PB1 domain. In this study, crystals of PB1 dimer were made and the crystals were diffracted by X-ray to collect usable data up to 3.2A. We are analyzing the structure using the molecular replacement (MR) method.

Thiadiazole-thione surfactants: Preparation, flotation performance and adsorption mechanism to malachite

  • Huang, Yaoguo;Liu, Guangyi;Liu, Jun;Yang, Xianglin;Zhang, Zhiyong
    • Journal of Industrial and Engineering Chemistry
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    • v.67
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    • pp.99-108
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    • 2018
  • In this paper, novel thiadiazole-thione surfactants including 5-heptyl-1,3,4-thiadiazole-2-thione (HpSDT), 5-phenyl-1,3,4-thiadiazole-2-thione (PSDT) and 5-(2-hydroxyphenyl)-1,3,4-thiadiazole-2-thione (HPhSDT) were synthesized and originally introduced as collectors in froth flotation. Microflotation tests showed that HpSDT exhibited better flotation response to malachite than PSDT and HPhSDT, as well as excellent flotation selectivity against quartz. The contact angle results inferred that the hydrophobization intensity of these collectors toward malachite was in the order as HpSDT> PSDT> HPhSDT. ${\zeta}$-potential recommended a chemisorption of HpSDT on malachite surfaces. FTIR deduced that cupric or cuprous atoms might bond with the S and N atoms of HpSDT to form a conjugated ring. XPS further gave an additional evidence that HpSDT-Cu(I) complexes were produced on malachite surfaces via combining surface Cu atoms with HpSDT's N and S atoms, with reducing surface Cu(II) to Cu (I). The tighter orientation arrangement on malachite and stronger hydrophobicity rendered HpSDT to possess better flotation affinity toward malachite than PSDT and HPhSDT.

An Experimental Study of Bond Stress between Concrete and Various Kinds of FRP Plank used as a Permanent Formwork (영구거푸집으로 활용한 FRP 판의 종류에 따른 콘크리트와의 부착응력에 관한 실험적 연구)

  • Park, Chan-Young;Yoo, Seung-Woon
    • Journal of the Korea institute for structural maintenance and inspection
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    • v.19 no.3
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    • pp.92-103
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    • 2015
  • Development of new concrete bridge deck system with FRP plank using as a permanent formwork and the main tensile reinforcement recently has been actively conducted. Concurrent use as a reinforcing material and a permanent formwork, it is possible to reduce the construction time and construction costs than the usual concrete slab. In this study, an experiment was carried out for the bond stress between cast-in-place concrete and the type of FRP plank using as a permanent formwork. The interfacial fracture energy that can be one of the most important parameters were evaluated for adhesion performance and bond stress to know the characteristics of the failure mechanism of the adhesion surface. Interfacial fracture energy of normal concrete is 0.24kN/m of GF11 case, in the case of GF21, 0.43kN/m appears, in the case of CF11 and GF31, 0.44kN/m and 0.46kN/m respectively it appeared. In case of RFCON, 0.52kN/m appears from GF12, the CF12 and GF22, 0.51kN/m and 0.36kN/m appeared each case.

Structure and Reactivity of Alkylchloroformates. MO Theoretical Interpretations on Halide Exchange Reaction (염화 포름산 알킬의 구조와 반응성. 할로겐화 이온 교환반응에 대한 분자궤도론적 고찰)

  • Lee, Bon Su;Lee, Ik Choon
    • Journal of the Korean Chemical Society
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    • v.18 no.4
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    • pp.223-238
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    • 1974
  • CNDO/2 MO theoretical studies and kinetic studies of halide exchange reactions for alkylchloroformates have been carried out in order to investigate structure-reactivity relationship of alkylchloroformates. From the result of energetics, it was concluded that the most stable configuration of alkylchloroformate is that in which alkyl group and chlorine are trans to each other, and that the hindered rotation about the bond between the carbonyl carbon and alkoxy-oxygen bond is attributed to the ${\pi}-$electron delocalization. It has been found that the large charge separation is due to -M effect of carbonyl and alkoxy oxygens and-I effect of chlorine. The order of rates in solvents studied was $(CH_3)_2 > CO > CH_3CN{\gg}MeOH.$$I^->Br^->Cl^-$ in protic solvent, and of Cl^->Br^- >I^-$ in dipolar aprotic solvents. Alkyl group contribution has the decreasing order of $CH_3-> C_2H-{\gg}i-C_3H_7-.$ The solvent effect has been interpreted on the basis of initial and final state contribution. A transition state model has been suggested, and it has been proposed that the most favorable mechanism is the addition-elimination. From the results of activation parameters and electronic properties, an energy profile has been proposed. Structural factors determining reactivities of alkylchloroformates have been shown to be charge, energy level of ${\alpha}^*LUMO$ to C-Cl bond and ${\alpha}^{\ast} $antibonding strength with respect to C-Cl bond in this MO. Charge and polarizability of nucleophile, and the interaction of these effects with solvent structures are also found to be important.

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Uplift Capacity for Bond Type Anchored Foundations in Rock Masses (부착형 암반앵커기초의 인발지지력 평가)

  • Kim, Dae-Hong;Lee, Yong-Hee
    • Journal of the Korean Geotechnical Society
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    • v.24 no.10
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    • pp.147-160
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    • 2008
  • This paper presents the results of full-scale loading tests performed on 54 passive anchors and 4 group anchored footings grouted to various lengths at several sites in Korea. The test results, the failure mechanisms as well as uplift capacities of rock anchors depend mostly on rock type and quality, embedded fixed length, properties of the discontinuities, and the strength of rebar. Anchors in poor quality rocks generally fail along the grout/rock interfaces when their depths are very shallow (a fixed length of less than 1 m). However, even in such poor rocks, we can induce a more favorable mode of rock pull-up failure by increasing the fixed length of the anchors. On the other hand, anchors in good quality rocks show rock pull-up failures with high uplift resistance even when they are embedded at a shallow depth. Laboratory test results revealed that a form of progressive failure usually occurs starting near the upper surface of the grout, and then progresses downward. The ultimate tendon-grout bond strength was measured from $18{\sim}25%$ of unconfined compressive strength of grout. One of the important findings from these tests is that the measured strains along the corrosion protection sheath were so small that practically the reduction of bond strength by the presence of sheath would be negligible. Based on test results, the main parameters governing the uplift capacity of the rock anchor system were determined. By evaluation of the ultimate uplift capacity of anchor foundations in a wide range of in situ rock masses, rock classification suitable for a transmission tower foundation was developed. Finally, a very simple and economical design procedure is proposed for rock anchor foundations subjected to uplift tensile loads.

Analysis of Cis- Trans Photoisomerization Mechanism of Rhodopsin Based on the Tertiary Structure of Rhodopsin

  • Yamada, Atsushi;Yamato, Takahisa;Kakitani, Toshiaki;Yamamoto, Shigeyoshi
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.51-54
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    • 2002
  • We propose a novel mechanism (Twist Sharing Mechanism) for the cis-trans photoisomerization of rhodopsin, based on the molecular dynamics (MD) simulation study. New things devised in our simulations are (1) the adoption of Mt. Fuji potentials in the excited state for twisting of the three bonds C9=C10, C11=C12 and C13=14 which are modeled using the detailed ab initio quantum chemical calculations and (2) to use the rhodopsin structure which was resolved recently by the X-ray crystallographic study. As a result, we found the followings: Due to the intramolecular steric hindrance between 20-methyl and 10-H in the retinal chromophore, the C12-C13 and C10-C11 bonds are considerably twisted counterclockwise in rhodopsin, allowing only counterclockwise rotation of the C11 =C12 in the excited state. The movement of 19-methyl in rhodopsin is blocked by the surrounding three amino acids, Thr 118, Met 207 and Tyr 268, prohibiting the rotation of C9=C10. As a result only all-trans form of the chromophore is obtainable as a photoproduct. At the 90$^{\circ}$ twisting of C11=C12 in the course of photoisomerization, twisting energies of the other bonds amount to about 20 kcal/mol. If the transition state for the thermal isomerization is assumed to be similar to this structure, the activation energy for the thermal isomerization around C11=C12'in rhodopsin is elevated by about 20 kcal/mol and the thermal isomerization rate is decelerated by 10$\^$-14/ times than that of the retinal chromophore in solution, protecting photosignal from the thermal noise.

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Design of the Green Wall System considering Distribution Effect of Earth Pressure by Soil Nail (네일의 토압분담 효과를 고려한 Green Wall 시스템의 설계)

  • Park, Si-Sam;Cho, Sung-Han;Yoo, Chan-Ho;Kim, Hong-Taek;Kim, Yong-Yeon
    • Proceedings of the Korean Geotechical Society Conference
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    • 2006.03a
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    • pp.1038-1045
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    • 2006
  • The Green Wall is highest eco-system among a segmental retaining wall systems. Recently, the demand of high segmental retaining wall (SRW) is increased in domestic. The soil nailing system is applied in order to maintain the high SRW stability for steeper slope. However, the proper design approach that can consider the earth pressure reduction effects in soil nailing system has not been proposed. This study was performed to introduce the design case by 'Two-Body Translation mechanism' to be able to consider distribution of earth pressure in the soil nailing when designing the green wall using soil nailing system. Also, this study attempts to evaluate the earth pressure change when advanced soil nailing system is constructed using $FLAC^{2D}$ ver. 3.30 program and 'Two-Body Translation mechanism'. Also in this study, various parametric studies using numerical methods as shear strength reduction (SSR) technique and limit equilibrium technique were carried out. In the parametric study, the length ratio and the bond ratio of the soil nailing were changed to identify the earth pressure reduction effect of the retaining wall reinforced by soil nailing.

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Voltammetric Studies on Some Thiadiazoles and Their Derivatives

  • Maghraby, A. A. El;Abou-Elenien, G. M.;Rateb, N. M;Abdel-Tawab, H. R.
    • Journal of the Korean Electrochemical Society
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    • v.12 no.1
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    • pp.54-60
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    • 2009
  • The redox characteristics of 2-arylaldehydehydrazono-3-phenyl-5-substituted-2, 3-dihydro-1, 3, 4-thiadiazoles (1a-h) have been investigated in nonaqueous solvents such as 1, 2-dichloroethane (DCE), dichloromethane (DCM), acetonitrile (AN), Tetrahydrofuran (THF), and dimethylsulfoxide (DMSO) at platinum electrode. Through controlled potential electrolysis, the oxidation and reduction products of the investigated compounds had been separated and indentified. The redox mechanism had been suggested and proved. It had been found that all the investigated compounds were oxidized in two irreversible one-electron processes following the well-known pattern of The EC-mechanism; the first electron loss gives the corresponding cation-radical which is followed by proton removal from the ortho-position in the N-phenyl ring forming the radical. The obtained radical undergoes a second electron uptake from the nitrogen in the N = C group forming the unstable intermediate (di-radical cation) which undergoes ring closure forming the corresponding cation. The formed cation was stabilized in solution through its combination with a perchlorate anion from the medium. On the other hand, these compounds are reduced in a single two-electron process or in a successive two one-electron processes following the well known pattern of the EEC-mechanism according to the nature of the substituent; the first one gives the anion-radical followed by a second electron reduction to give the dianion which is basic enough to abstract protons from the media to saturate the (C = O) bond.

REACTION OF PAPER PULP AND ALKYL KETENE DIMER BY AGING TREATMENT DURING PAPERMAKIN PROCESS

  • Shin, Young-Doo;Seo, Won-Sung;Cho, Nam-Seok
    • Proceedings of the Korea Technical Association of the Pulp and Paper Industry Conference
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    • 2000.11a
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    • pp.83-83
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    • 2000
  • Alkylketene dimer was known as a cellulose reactive or alkaline size because it does not require to fix to the fiber as do the traditional rosin sizes. A proposed sizing mechanism of AKD was the formation of P -ketoester bond between AKD and cellulose which provides the permanent attachment and the orientation of the hydrophobic alkylchains outward. However, some questions about the reaction had arisen and thus, the sizing mechanism of AKD has been a subject of controversy for several decades. The major concern of the controversy is that AKD is really reactive with cellulose or not in the papermaking conditions. In this study, reaction between AKD and pulp fiber was investigated, in order to find out whether AKD forms P-ketoester with pulp fiber during aging under no catalyzed neutral condition with obvious spectroscopic evidence. In addition, effect of aging treatment on the sizing development was studied. It has been disclosed that, in absence of water, AKD reacted with cellulose to form P -ketoester linkage under no catalyzed neutral condition, while, in presence of water, most of AKD was hydrolyzed to a dialkyl ketone or P -ketoacid. In addition, during the aging treatment of AKD-sized paper, its typical IR spectra bands gradually were reduced, completely disappeared after 6hr aging, and formed new absorption bands at 1707cm-' and shoulder peak at 1700cm-' which refer to the typical dialkylketone absorption bands. Therefore, the formation of P -ketoester between AKD and pulp fiber is impossible in the practical papermaking process. It could be suggested that the sizing development of AKD-sized paper is obtained by next two mechanism: 1) formation of a thin-layer of AKD on the fiber surface through melting and spreading of AKD emulsion particles by heat and 2) the hydrolysis of AKD to dialkyl ketone which has higher melting point, during drying and storage of AKD sized papers.

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