• Bulletin of the Korean Chemical Society
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• 제32권10호
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• pp.3790-3792
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• 2011

• Computers and Concrete
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• 제22권2호
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• pp.167-182
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• 2018

The modeling of loss of bond between reinforcing bars (rebars) and concrete due to corrosion is useful in studying the behavior and prediction of residual load bearing capacity of corroded reinforced concrete (RC) members. In the present work, first the possibility of using different methods to simulate the rebars-concrete bonding, which is used in three-dimensional (3D) finite element (FE) modeling of corroded RC beams, was explored. The cohesive surface interaction method was found to be most suitable for simulating the bond between rebars and concrete. Secondly, using the cohesive surface interaction approach, the 3D FE modeling of the behavior of non-corroded and corroded RC beams was carried out in an ABAQUS environment. Experimental data, reported in literature, were used to validate the models. Then using the developed models, a parametric study was conducted to examine the effects of some parameters, such as degree and location of the corrosion, on the behavior and residual capacity of the corroded beams. The results obtained from the parametric analysis using the developed model showed that corrosion in top compression rebars has very small effect on the flexural behaviors of beams with small flexural reinforcement ratio that is less than the maximum ratio specified in ACI-318-14 (singly RC beam). In addition, the reduction of steel yield strength in tension reinforcement due to corrosion is the main source of reducing the load bearing capacity of corroded RC beams. The most critical corrosion-induced damage is the complete loss of bond between rebars and the concrete as it causes sudden failure and the beam acts as un-reinforced beam.

• 한국잠사곤충학회지
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• 제39권2호
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• pp.169-173
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• 1997

The behavior of tyrosine(Tyr.) residue of Bombyx mori silk fiber from yellow fluorescent cocoon has been examined for the dependence of pH in aqueous silk solution under the presence of orange II salt. Through the peak separation of angular dependence of spectral pattern of 15N-Tyr. and [1-13C]-Tyr. between the fiber axis and the molecular bond direction, N-H bond in fiber as well as the orientation distribution around the fiber axis were analyzed. Also, and sericin component was obtained from these angular dependence of oriented spectral pattern. The pH dependence of the 13C NMR chemical shift of B. mori silk fibroin was examined in aqueous solution in the presince of orange II are broad at pH$\geq$7.0. However, these become sharper at pH$\geq$8.0 and remain sharp at higher pH. In these higher pH range, a chemical shift change occurs due to the deprotonation of the Tyr. side group of fibroin. At higher pH. such a hydrophobic cluster is destroyed because of the electrostatic interaction according to the deprotonation of the Tyr-OH group.

• Bulletin of the Korean Chemical Society
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• 제29권9호
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• pp.1717-1722
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• 2008

The 70 kDa heat-shock protein (Hsp70) involved in various cellular functions, such as protein folding, translocation and degradation, regulates apoptosis in cancer cells. Recently, it has been reported that the green tea flavonoid (−)-epigallocatechin 3-gallate (EGCG) induces apoptosis in numerous cancer cell lines and could inhibit the anti-apoptotic effect of human Hsp70 ATPase domain (hATPase). In the present study, docking model between EGCG and hATPase was determined using automated docking study. Epi-gallo moiety in EGCG participated in hydrogen bonds with side chain of K71 and T204, and has metal chelating interaction with hATPase. Hydroxyl group of catechin moiety also participated in metal chelating hydrogen bond. Gallate moiety had two hydrogen bondings with side chains of E268 and K271, and hydrophobic interaction with Y15. Based on this docking model, we determined two pharmacophore maps consisted of six or seven features, including three or four hydrogen bonding acceptors, two hydrogen bonding donors, and one lipophilic. We searched a flavonoid database including 23 naturally occurring flavonoids and 10 polyphenolic flavonoids with two maps, and myricetin and GC were hit by map I. Three hydroxyl groups of B-ring in myricetin and gallo moiety of GC formed important hydrogen bonds with hATPase. 7-OH of A-ring in myricetin and OH group of catechin moiety in GC are hydrogen bond donors similar to gallate moiety in EGCG. From these results, it can be proposed that myricetin and GC can be potent inhibitors of hATPase. This study will be helpful to understand the mechanism of inhibition of hATPase by EGCG and give insights to develop potent inhibitors of hATPase.

• Bulletin of the Korean Chemical Society
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• 제34권6호
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• pp.1829-1834
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• 2013

The nucleophilic substitution reactions of Y-aryl ethyl isothiocyanophosphates with substituted X-anilines and deuterated X-anilines were investigated kinetically in acetonitrile at $75.0^{\circ}C$. The free energy relationships with X in the nucleophiles exhibited biphasic concave downwards with a break point at X = H. A stepwise mechanism with rate-limiting bond formation for strongly basic anilines and with rate-limiting bond breaking for weakly basic anilines is proposed based on the negative and positive ${\rho}_{XY}$ values, respectively. The deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) changed gradually from primary normal with strongly basic anilines, via primary normal and secondary inverse with aniline, to secondary inverse with weakly basic anilines. The primary normal and secondary inverse DKIEs were rationalized by frontside attack involving hydrogen bonded, four-center-type TSf and backside attack involving in-line-type TSb, respectively.

• 폴리머
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• 제24권6호
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• pp.854-859
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• 2000

N,N-dimethylamino ethyl methacrylate(DMAEMA)와 poly(ethylene glycol) (PEG)로 이루어진 블록 공중합체를 합성하였고, 그 구조를 FT-IR, DSC, 및 $^1$H-NMR로 확인하였다. 준비된 poly(DMAEMA))-PEG 블록 공중합체 수용액에 poly(ethyl acrylamide)(PEAAm)를 첨가하면 블록 공중합체의 DMAEMA와 poly(EAAm) 사이에서 일어나는 수소결합에 의해 나노복합체가 형성되었다. 나노복합체는 임계미셀농도 이상의 농도에서 이루어졌다.

• Bulletin of the Korean Chemical Society
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• 제32권5호
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• pp.1539-1542
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• 2011

The aminolysis of O-methyl S-aryl thiocarbonates with benzylamines are studied in acetonitrile at -45.0$^{\circ}C$. The ${\beta}_X$(${\beta}_{nuc}$) values are in the range 0.62-0.80 with a negative cross-interaction constant, ${\rho}_{XZ}$ = -0.42, which are interpreted to indicate a concerted mechanism. The kinetic isotope effects involving deuterated benzylamine nucleophiles ($XC_6H_4CH_2ND_2$) are large, $k_H/k_D$ = 1.29-1.75, suggesting that the N-H(D) bond is partially broken in the transition state by forming a hydrogen-bonded four-center cyclic structure. The concerted mechanism is enforced by the strong push provided by the MeO group which enhances the nucleofugalities of both benzylamine and arenethiolate from the putative zwitterionic tetrahedral intermediate.

• Bulletin of the Korean Chemical Society
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• 제29권9호
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• pp.1769-1773
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• 2008

fThe kinetics and mechanism of the reactions of Y-O-aryl phenylphosphonochloridothioates with X-pyridines are investigated in acetonitrile at 35.0 ${^{\circ}C}$. The negative value of the cross-interaction constant, $\rho$XY = −0.46, indicates that the reaction proceeds by concerted $S_N2$ mechanism. The observed $k_H/k_D$ values involving d-5 pyridine ($C_5D_5N$) nucleophiles are greater than unity (1.05-1.11). The net primary deuterium kinetic isotope effects, $(k_H/k_D)_{net}$ = 1.28-1.35, excluding the increased $pK_a$ effect of d-5 pyridine are obtained. The transition state with a hydrogen bond between the leaving group Cl and the hydrogen (deuterium) atom in the C-H(D) is suggested for the studied reaction system.

• Archives of Pharmacal Research
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• 제12권1호
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• pp.58-61
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• 1989

Studies of selectivity of hydrogen bond formation in chiral solute-solvent systems have been performed by $^1H\;and\;^{13}C$ nuclear magnetic resonance techniques. These data are correlated with the results of gas chromatographic investigations of the same systems. Interactions between the optically active solvent(N-(N-benzoyl-L-amino acid)-anilide) and optically active solute (N-trifluoroacetyl -L-alanyl isopropyl ester) were examined. NMR evidence indicated that hydrogen bonding interaction occurred between two N-H portion and on peptidyl carbonyl portion in stationary phase and solute molecule on three points. The association constants of solvent-solute interaction were calculated and the structure of the diastereomeric association complex between N-(N-benzoyl-L-valyl)-anilide and N-TFA-L-alanyl isopropyl ester was proposed.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2005년도 춘계학술대회 논문집
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• pp.434-437
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• 2005

Chemical Mechanical Polishing (CMP) has become an essential step in the overall semiconductor wafer fabrication technology. In general, CMP is a surface planarization method in which a silicon wafer is rotated against a polishing pad in the presence of slurry under pressure. The polishing pad, generally a polyurethane-based material, consists of polymeric foam cell walls, which aid in removal of the reaction products at the wafer interface. It has been found that the material removal rate of any polishing pad decreases due to the so-called 'pad glazing' after several wafer lots have been processed. Therefore, the pad restoration and conditioning has become essential in CMP processes to keep the urethane polishing pad at the proper friction coefficient and to allow effective slurry transport to the wafer surface. Diamond pad conditioner employs a single layer of brazed bonded diamond crystals. Due to the corrosive nature of the polishing slurry required in low pH metal CMP such as copper, it is essential to minimize the possibility of chemical interaction between very low pH slurry (pH <2) and the bond alloy. In this paper, we report an exceptional protective coated conditioner for in-situ pad conditioning in low pH Cu CMP process. The protective Cr-coated conditioner has been tested in slurry with pH levels as low as 1.5 without bond degradation.