• Journal of the Korean Chemical Society
• /
• v.32 no.3
• /
• pp.260-266
• /
• 1988

The rate constants for the nucleophilic addition reactions of thioglycolic acid and cysteine to ${\beta},\;{\beta}$-dichlorostyrene derivatives(p-H, p-Cl, $p-CH_3,\;and\;p-OCH_3$) were photochemically determined at various pH and a rate equation which can be applied over a wide pH range was obtained. On the bases of rate equation, general base catalysis and substituent effect, the plausible addition reaction mechanism was proposed: Above pH 9.0, the reaction was initiated by the addition of sulfide anion, and in the range of pH 7.0 to 9.0, the neutral molecules and it's anions attacked to the double bond, competitively. However, below pH 7.0, only the neutral molecules of thioglycolic acid or cysteine added to the carbon-carbon double bond.

• Journal of the Korean Chemical Society
• /
• v.40 no.4
• /
• pp.264-272
• /
• 1996

Cluster models of the Υ-Al2O3(111) and the Pt(111) surfaces have been used in an atom superposition and electron delocalization molecular orbital study of interfacial bond strengths between them. The reduced extents for Al3+ are due to the ratio of oxygen to aluminum atoms. The greater the reduced extent for Al3+ is, the stronger the binding energy is to Pt atoms in a cluster. The oxygen-covered surfaces of Υ-Al2O3(111) are shown to bind more weakly to Pt atoms, while the binding to the oxygen-covered surface formed under oxidizing conditions of Pt atoms is strong. The interfacial bond of platinum-alumina may be possible by a charge-transfer mechanism from the platinum surface to the partially empty O-2p band and Al3+ dangling surface orbital.

• Bulletin of the Korean Chemical Society
• /
• v.12 no.5
• /
• pp.554-559
• /
• 1991

The photophysical and photochemical properties of khellin were compared with those of 8-methoxypsoralen (8-MOP). Quantum yields of fluorescence and triplet formation decreases as solvent polarity increases, which is opposite to 8-MOP, and photocycloadditivity of khellin to olefins is much lower than that of 8-MOP. Electron ejection from khellin by laser flash was not observed, but observed from 8-MOP. As models of 4',5'-monoadducts of khellin or 8-MOP with thymine base, khellin<>dimethylfumarate 4',5'-monoadduct (KDF) was also compared with 8-MOP<>thymidine 4',5'-monoadduct (F-2) in those properties to give some insight on the second-step biadduct formation resulting in cross-links of DNA duplex. KDF and F-2 were very similar to khellin and 8-MOP in photophysical properties, respectively. However, KDF did not form adducts with various olefins, and thus it is thought that 2,3-double bond of chromone moiety in khellin is hardly reactive in contrast with 3,4-double bond of coumarin moiety in 8-MOP. These results indicate that khellin is fairly photostable compound, a poor type Ⅰ photodynamic sensitizer and producer of ${O_2}^{-}$ which is some cause of phototoxic erythemal reactions and undesirable side effects. Therefore khellin is safer to use than 8-MOP in photochemotherapy of some skin diseases. Although khellin is much less reactive than 8-MOP, khellin must be also a monofunctional drug. Since khellin is, however, as effective as 8-MOP in photochemotherapy of some skin diseases, it is suggested that khellin may be different from 8-MOP in the action mechanism.

• Elastomers and Composites
• /
• v.54 no.2
• /
• pp.110-117
• /
• 2019

The characterization of the ozone oxidation for raw natural rubber (NR) was investigated under controlled conditions through image and fourier transform infrared (FT-IR) analysis. The ozone oxidation was performed on a transparent thin film of raw NR coated on a KBr window in a dark chamber at $40^{\circ}C$ under low humidity conditions to completely exclude thermal, moisture, or light oxidation. The ozone concentration was set at 40 parts per hundred million (pphm). Before or after exposure to ozone, the image of the thin film for raw NR was observed at a right or tilted angle. FT-IR absorption spectra were measured in the transmission mode according to ozone exposure time. The ozone oxidation of NR was determined by the changes in the absorption peaks at 1736, 1715, 1697, and $833cm^{-1}$, which were assigned to an aldehyde group (-CHO), a ketone group (-COR), an inter-hydrogen bond between carbonyl group (-C=O) from an aldehyde or a ketone and an amide group (-CONH-) of protein, and a cis-methine group ($is-CCH_3=CH-$, respectively. During ozone exposure period, the results indicated that the formation of the carbonyl group of aldehyde or ketone was directly related to the decrement of the double bond of cis-1,4-polyisoprene. Only carbonyl compounds such as aldehydes or ketones seemed to be formed through chain scission by ozone. Long thin cracks with one orientation at regular intervals, which resulted in consecutive chain scission, were observed by image analysis. Therefore, one possible two-step mechanism for the formation of aldehyde and ketone was suggested.

• Computers and Concrete
• /
• v.23 no.1
• /
• pp.61-68
• /
• 2019

This paper presents a computational rational model to predict the ultimate and optimized load capacity of reinforced concrete (RC) beams strengthened by a combination of longitudinal and transverse fiber reinforced polymer (FRP) composite plates/sheets (flexure and shear strengthening system). Several experimental and analytical studies on the confinement effect and failure mechanisms of fiber reinforced polymer (FRP) wrapped columns have been conducted over recent years. Although typical axial members are large-scale square/rectangular reinforced concrete (RC) columns in practice, the majority of such studies have concentrated on the behavior of small-scale circular concrete specimens. A high performance concrete, known as polymer concrete, made up of natural aggregates and an orthophthalic polyester binder, reinforced with non-metallic bars (glass reinforced polymer) has been studied. The material is described at micro and macro level, presenting the key physical and mechanical properties using different experimental techniques. Furthermore, a full description of non-metallic bars is presented to evaluate its structural expectancies, embedded in the polymer concrete matrix. In this paper, the mechanism of mechanical interaction of smooth and lugged FRP rods with concrete is presented. A general modeling and application of various elements are demonstrated. The contact parameters are defined and the procedures of calculation and evaluation of contact parameters are introduced. The method of calibration of the calculated parameters is presented. Finally, the numerical results are obtained for different bond parameters which show a good agreement with experimental results reported in literature.

• The Korea Journal of Herbology
• /
• v.33 no.5
• /
• pp.19-37
• /
• 2018

Objectives : Oryeong-san was composed of Alismatis Rhizoma, Atractylodis Rhizoma Alba, Poria Sclerotium, Polyporus, Cinnamomi Cortex, and known to have hundreds of chemical compounds. The aim of this study was to screen chemical compounds constituting Oryeong-san with the drug-likeness and oral bioavailability from the analysis of their physicochemical properties. Methods : A list of chemical compounds of Oryeong-san was obtained from TM-MC(database of medicinal materials and chemical compounds in Northeast Asian traditional medicine). To remove redundant compounds, the SMILES (Simplified Molecular Input Line Entry System) strings of each compound were identified. All of the physicochemical properties for the compounds were calculated using the DruLiTo(Drug Likeness Tool). Drug-likeness was estimated by QED(Quantitative Estimate of Druglikeness) and OB(Oral bioavailability) was checked based on the Veber's rules. Results : A total of 475 compounds were obtained by eliminating duplication among 544 compounds of 5 medicinal materials. Analysis of the physicochemical properties revealed that the most common values were MW(molecular weight) 200~300 g/mol, ALOGP(octanol-water partition coefficient) 1~2, HBA(number of hydrogen bond acceptors) 0~1, HBD(number of hydrogen bond donors) 0, PSA(polar surface area) 0~50 angstrom, ROTB(number of rotatable bonds) 1, AROM(number of aromatic rings) 0, and ALERT(number of structural alerts) 1. QED had 93% of the values between 0.2 and 0.7, and OB had 90% of the value of TRUE. Conclusions : We in this paper screened the candidate active compounds of Oryeong-san using the QED and Veber's rules. In the future, we will use the screening results to analyze the mechanism of Oryeong-san based on systems pharmacology.

• Journal of the Korean Geotechnical Society
• /
• v.22 no.12
• /
• pp.45-55
• /
• 2006

This paper presents the results of full-scale uplift load tests performed on 30 passive anchors grouted to various lengths at Taean site in Korea. Various rock types were tested, ranging from highly weathered to sound gneiss. Rock anchors were installed over a wide range of rock types and qualities with a fixed anchored depth of $1{\sim}4m$. The majority of installations used SD4O-D51 no high grade steel rebar to induce rock failure prior to rod failure. In many tests, rock failure was reached and the ultimate loads were recorded along with observations of the shape and extent of the failure surface. The test results, the failure mechanisms as well as uplift capacities of rock anchors depend mostly on rock type and quality, embedded fixed length, and the strength of rebar. Based on test results, the main parameters governing the uplift capacity of the rock anchor system were determined.

• Restorative Dentistry and Endodontics
• /
• v.34 no.5
• /
• pp.406-414
• /
• 2009

The purpose of this study was to examine the effect of hydrogen peroxide at different application time and concentrations on the microtensile bond strength of resin restorations to the deep and the pulp chamber dentin. A conventional endodontic access cavity was prepared in each tooth, and then the teeth were randomly divided into 1 control group and 4 experimental groups as follows: Group 1, non treated; Group 2, with 20% Hydrogen peroxide ($H_2O_2$); Group 3, with 10% $H_2O_2$; Group 4, with 5% $H_2O_2$; Group 5, with 2.5% $H_2O_2$; the teeth of all groups except group 1 were treated for 20, 10, and 5min. The treated teeth were filled using a Superbond C&B (Sun medical Co., Shiga, Japan). Thereafter, the specimens were stored in distilled water at $37^{\circ}C$ for 24-hours and then sectioned into the deep and the chamber dentin. The microtensile bond strength values of each group were analyzed by 3-way ANOVA and Tukey post hoc test(p < 0.05). In this study, the microtensile bond strength of the deep dentin (D1) was significantly greater than that of the pulp chamber dentin (D2) in the all groups tested. The average of microtensile bond strength was decreased as the concentration and the application time of $H_2O_2$ were increased. Analysis showed significant correlation effect not only between the depth of the dentin and the concentration of $H_2O_2$ but also between the concentration of H202 and the application time(p < 0.05), while no significant difference existed among these three variables(p > 0.05). The higher $H_2O_2$ concentration, the more opened dentinal tubules under a scanning electron microscope(SEM) examination.

• Textile Coloration and Finishing
• /
• v.1 no.1
• /
• pp.19-25
• /
• 1989

In past, dye diffusion and dyeing rate in fibers have been emphasized in dyeing phenomena. However, in the light of the properties of colloids in the surface of disperse phase and dispersion, there exist specific characters such as adsorption or electric double layer, which seems to play important roles in determining the physiochemical properties in the dyeing system. Electrostatic bonding, hydrogen bonding and Van der Waals adsorption are common in dyeing as well as covalent bonding. Particularly, electrostatic bonding is premised on the existance of ionic radicals in fibers. The present study was aimed to clarify the electrokinetic phenomena of dyeing through the role of electric double layer by ion in amphoteric fibers with different ionic effects under different pH. Spectrophotometric analysis method was used to compare dyeing condition of surface, which can be detected by electrokinetic phenomena and the inner of fibers after deceleration of dyed fibers. Nylon and wool, the typical amphoteric fibers were dyed with monoazo acid dyes such as C.I. Acid Orange 20, and C.I. Acid Orange 10. Various combinations were prepared by combining pH, temperature and dye concentration, in order to generate streaming electric potential which were measured by microvolt meter and specific conductivity meter. The results were transformed to zeta potential by Helmholtz-Smoluchowski formular and to surface electric charge density by Suzawa formular, surface dye amount, and effective surface area of fibers. The amount of dyes of inner fibers were also measured by the Lambert-Beer’s law. The main results obtained are as follows. 1. By measuring zeta pontential, it was possible to detect the dyeing mechanism, surface charge density, surface dye amount and effective surface area concerning dye adsorption of the amphoteric fibers. 2. Zeta pontential increases in negative at low pH and high dye concentration in the process of dyeing. This implied that there existed ionic bond formation in the dyeing mechanism between acid dyes and amphoteric fibers. 3. Dibasic acid dye had little changing rate in zeta potential due to the difference in solubility of dye and in number of dissociated ions per dye molecule to bond with amino radicals of amphoteric fibers. The dye adsorption of mono basic acid dye was higher than that of dibasic acid dye. 4. The effective surface areas concerning dyeing were $6.3E+05\;cm^2/g$ in nylon, $1.6E+07\;cm^2/g$ in wool fiber being higher order of wool then nylon.

• Journal of the Korean Chemical Society
• /
• v.25 no.2
• /
• pp.110-118
• /
• 1981

Kinetics and mechanism for the reaction of substituted phenacyl bromides with substituted pyridines have been determined at 25, 35 and $45^{\circ}C$ in methanol and dimethylformamide by the conductivity method. The rate constants for the reaction of various pyridines with phenacyl bromide shown that electron-donating substituents in the pyridine increase the rate, while electron-attracting one decrease in both solvents. The effect of substituents in substrate, the rate being increased by electron-attracting substituents. This is as expected for nucleophilic attack of amines on the carbon atom. Isokinetic and $Br{\psi}nsted$ linear relationship were shown in the reaction of phenacyl bromide with pyridines in both solvent in which isokinetic temperature were obtained 614, $202^{\circ}K$ and ${\beta}$ values were 0.29, 0.36 in methanol and dimethylformamide respectively. In the case of the reaction of substituted phenacyl bromide with pyridines, isokinetic temperature decreases with increasing electron-attracting ability of the substituents in the phenacyl bromide, while the ${\beta}$ values were reverse. From the above results, it can be inferred that N…C bond formation decreases progressively from p-chloro- to p-methoxyphenacyl bromide and the bond formation predominates in DMF than methanol. The ${\rho}$ values of Hammett equation of the reaction of phenacyl bromide with substituted pyridines are negative in both solvent, but its value was larger negative in DMF than methanol and the ${\rho}$ value of that of substitutted substrates with pyridine was 0.3, the low value is ascribed to direct $S_N2$ attack of the nitrogen atom in pyridine ring at the methylene carbon.