• 대한화학회지
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• 제7권4호
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• pp.230-237
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• 1963

2-Methyl-5,5'-gem-disubstituted-$\Delta^2$-thiazoline系 化合物의 合成을 1,1'-gem-dusubstituted thiiranes의 三員環을 ammonis로 開環하여 骸當하는 N-또는 S-acetyl-amino mercaptan을 얻고 그것을 다시 閉環하는 方法과 또 하나는 같은 三員環인 gem-disubstitutes imines을 thiolacetic acid 로 開環하고 그것을 直接 다시 閉環하여 얻은 두가지 方法에 의하여 硏究하엿다. 前者는 thiirane ring은 gem-disubtitution의 compression 效果에 의하여 極히 安定化되어 여러가지 强力한 反應條件下에서의 sodium amide를 利用한 ammonia nuclephile에 頑强한 抵抗을 나타냈으며 反對로 後者의 三員環 imine은 같은 gem-disubstitution 效果를 받음에도 不拘하고 容易하게 開環하였다. 이 gem-disubstitution 效果에 의한 環狀化合物의 開環阻止性과 閉環促進性을 立體化學的인 見地에서 考察하였으며 本硏究로서 環狀化合物의 安定性에 미치는 gem-disubstitution의 compression 效果는 所謂 Thorpe-Ingold bond angle deformation에 緣由하는 것이 아니고 오히려 gem-dusubstituents와 異節環狀化物內의 hetero atom(s)이 미치는 bond interaction에 起因하다는 結論을 얻었다.

• The Journal of Advanced Prosthodontics
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• 제4권3호
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• pp.139-145
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• 2012

PURPOSE. To evaluate the shear bond strength of resin luting agent to dentin surfaces cleansed with different agents like pumice, ultrasonic scaler with chlorhexidine gluconate, EDTA and the influence of these cleansing methods on wetting properties of the dentin by Axisymmetric drop Shape Analysis - Contact Diameter technique (ADSA-CD). MATERIALS AND METHODS. Forty coronal portions of human third molar were prepared until dentin was exposed. Specimens were divided into two groups: Group A and Group B. Provisional restorations made with autopolymerizing resin were luted to dentin surface with zinc oxide eugenol in Group A and with freegenol cement in Group B. All specimens were stored in distilled water at room temperature for 24 hrs and provisional cements were mechanically removed with explorer and rinsed with water and cleansed using various methods (Control-air-water spray, Pumice prophylaxis, Ultrasonic scaler with 0.2% Chlorhexidine gluconate, 17% EDTA). Contact angle measurements were performed to assess wettability of various cleansing agents using the ADSA-CD technique. Bond strength of a resin luting agent bonded to the cleansed surface was assessed using Instron testing machine and the mode of failure noted. SEM was done to assess the surface cleanliness. Data were statistically analyzed by one-way analysis of variance with Tukey HSD tests (${\alpha}$=.05). RESULTS. Specimens treated with EDTA showed the highest shear bond strength and the lowest contact angle for both groups. SEM showed that EDTA was the most effective solution to remove the smear layer. Also, mode of failure seen was predominantly cohesive for both EDTA and pumice prophylaxis. CONCLUSION. EDTA was the most effective dentin cleansing agent among the compared groups.

• 대한치과보철학회지
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• 제30권4호
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• pp.508-525
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• 1992

The purpose of this study was to evaluate the effect of some resistance form designs on the bond strength of resin-retained prosthesis. Six sub-groups are designed in natural teeth group and resin teeth group . The framework designs in natural teeth group: 1) no groove preparation 2) groove at the center of distal surface 3) groove at the distobuccal line angle 4) 45 degree lateral load with no groove 5) 45 degree lateral load with center groove 6) splint two teeth with no groove. The framework designs in resin teeth group: 1) no groove preparation 2) groove at the center of distal surface 3) groove at the distobuccal line angle 4) metal covered the 1/2 of distal surface 5) metal covered the 1/2 of mesial surface 6) metal extended over the 114 of buccal surface. Specimens were treated electrolytic etching by Oxy-Etch and cemented with Panavia EX. Failure load was measured by Instron. Another 30 specimens were carried out fatigue tests by MTS 810 fatigue testing machine for 5000 cycles at different load level. The following results were obtained from this study. 1. The failure load was significantly increased by resistance forms. 2. The failure load was not increased by increase of total surface area bonded with teeth. The distal surface area played an important role in failure load. 3. In 45 degree lateral load group, the failure load was decreased significantly than that of in vertical load group. 4. Bond failure modes between static test and fatigue test exhibited no differences.

• Bulletin of the Korean Chemical Society
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• 제16권12호
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• pp.1193-1203
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• 1995

In this work, we focused on the setup of the tools for the analysis of the final rotational state distribution of photofragments in vibrational predissociations of triatomic van der Waals molecules A-B2. We found that reflection principle used for the direct photodissociation processes can also be applied to find out the final rotational state distributions for indirect photodissociation processes. The quantity which represents the strength of rovibrational coupling between the quasi-bound state and the final state is reflected into the mirror of the classical angular momentum function, instead of the initial state before light absorption used in the reflection principle of direct processes. The sign change in the first derivative of the interaction potential with respect to the bond distance of B2 is found to be the source of the binodal structures in the final rotational distributions of photofragments in the model system studied in this work. In MQDT analysis, short range eigenchannel basis functions were found to be localized in angle, in the previous work [Lee, C.W. Bull. Korean Chem. Soc. 1995, 16, 957.] and may be called angle functions. Angle functions enjoy simple geometrical structures which have simple functional relations with the final state distributions of photofragments. Two processes take place along the angle functions which resemble the quasi-bound state and dominate over other processes. Two such angle functions are found to be not only localized angularly but also localized either one of ends of B2 in motions along the bond of B2. These dominating photodissociation processes, however, cancel each other. This cancellation causes photodissociation to depend sensitively on the interaction potential at other angles than the dominant one. Part of potential surface where much larger torque exists can now play an important role in photodissociation. MQDT also enables us to see which processes play important roles after cancellation. This is done by examining the amounts of time delayed by asymptotic eigenchannels.

• 대한치과보철학회지
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• 제38권5호
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• pp.704-723
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• 2000

This study was undertaken to evaluate the tensile bond strength of In-Ceram alumina core treat-ed by ion assisted reaction(IAR). Ion assisted reaction is a prospective surface modification technique without damage by a keV low energy ion beam irradiation in reactive gas environments or reactive ion itself. 120 In-Ceram specimens were fabricated according to manufacturer's directions and divided into six groups by surface treatment methods of In-Ceram alumina core. SD group(control group): sandblasting SL group: sandblasting + silane treatment SC group: sandblasting + Siloc treatment IAR I group: sandblasting + Ion assisted reaction with argon ion and oxygen gas IAR II group: sandblasting + Ion assisted reaction with oxygen ion and oxygen gas IAR III group: sandblasting + Ion assisted reaction with oxygen ion only For measuring of tensile bond strength, pairs of specimens within a group were bonded with Panavia 21 resin cement using special device secured that the film thickness was $80{\mu}m$. The results of tensile strength were statistically analyzed with the SPSS release version 8.0 programs. Physical change like surface roughness of In-Ceram alumina core treated by ion assistad reaction was evaluated by Contact Angle Measurement, Scanning Electron Microscopy, Atomic Force Microscopy; chemical surface change was evaluated by X-ray Photoelectron Spectroscopy. The results as follows: 1. In tensile bond strength, there were no statistically significant differences with SC group, IAR groups and SL group except control group(P<0.05). 2. Contact angle measurement showed that wettability of In-Ceram alumina core was enhanced after IAR treatment. 3. SEM and AFM showed that surface roughness of In-Ceram alumina core was not changed after IAR treatment. 4. XPS showed that IAR treatment of In-Ceram alumina core was enabled to create a new functional layer. A keV IAR treatment of In-Ceram alumina core could enhanced tensile bond strength with resin cement. In the future, this ion assisted reaction may be used effectively in various dental materials as well as in In-Ceram to promote the bond strength to natural tooth structure.

• 공업화학
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• 제33권4호
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• pp.425-430
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• 2022

L-alanine (LA, as an amino acid residue) pentamer model was used to investigate changes in the dihedral angle, intramolecular hydrogen bonding and formation energies during structural optimization. LA pentamers having four conformation types [𝛽: 𝜑/𝜓=t-/t+, 𝛼: 𝜑/𝜓=g-/g-, PP_II: 𝜑/𝜓=g-/t+ and P-like: 𝜑/𝜓= g-/g+] were carried out by quantum chemical calculations (QCC) [B3LYP/6-31G(d,p)]. In LA, 𝛽, 𝛼, and P-like types did not change by optimization, having an intra-molecular hydrogen bond: NH⋯OC (H-bond), and PP_II types in the absence of H-bond were transformed into P-like at the designated 𝜓 of 140°, and to 𝛽 at that of 160° or 175°. P-like and 𝛼 were about 0.5 kcal/mol/mu more stable than 𝛽. In order to understand the processes of the transformations, the changes of 𝜑/𝜓, distances of NH-OC (d_NH/CO) and formation energies (𝜟E, kcal/mol/mu) were examined.

• Bulletin of the Korean Chemical Society
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• 제23권11호
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• pp.1527-1530
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• 2002

1,12-diazacyclodocosane-2,11-dione was first isolated from a plant Phyllanthus niruri Linn. Its structure has been determined by means of spectroscopy methods and X-ray crystallography. Two peptide groups in the big ring (lactam) are the main factors influencing intermolecular contacts. The hydrogen-bond interaction of these hydrophilic groups is observed in the crystal structure. Meanwhile, C-H···O hydrogen bonds in molecules contribute to the formation of the whole crystal. These two kinds of hydrogen-bond form six- member rings among molecules. This compound crystallizes in the triclinic space group P-1 with a= 9.588(1) $\AA$, b= $9.850(1)\AA$, c = $11.810(1)\AA$, $\alpha=$ 68.18(1)$^{\circ}C$ , $\beta=$ 84.98(1), $\gamma$ = 86.03(1)$^{\circ}C$ , V = $1030.66(17)\AA3$ , Z = 2. A disorder of five-member carbon chain in the whole ring is observed in the title compound. The bond angle 105.8(4) is determined for a extreme configuration C(14)-C(15)-C(16), and 117.7(10) for another extreme configuration C(14')-C(15')-C(16'). In this crystal, two molecules are tied each other by short intermolecular hydrogen bonds, the oxygen atom being tied by hydrogen bond to nitrogen atom of another two molecules. The NMR and IR spectral data coincides to the structure of the compound.

• Journal of Applied Biological Chemistry
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• 제43권1호
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• pp.37-43
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• 2000

1,3,2-Dioxaphosphorinanes are suitable compounds for studying the stereochemistry of substitution at phosphorus. Cis- and trans-5-hydroxymethl-5-methyl-2-thiono-2ethoxy-1,3,2-dioxaphosphorinane were prepared, and their structures and stereochemistry unambiguously assigned by NMR and X-ray crystallography with acetoxy and 3,5-dinitrobenzoyloxy derivatives, respectively. Trans isomer gave $^{31}P$ NMR signal at higher field than cis isomer, and the ring proton Spectrum of cis isomer showed characteristic pattern for identifying its geometry. In X-ray crystallography they adopted a chair conformation with the ethoxy groups in the axial positions, and the sulfide groups in the equatorial positions. A flattening of the ring around the phosphorus center was noted, the POC bond angles were about $120^{\circ}$, and the C-O bonds in the ring were significantly longer than the C-O bond for the ethoxy group or the C-O bond for hydroxyl group.

• Bulletin of the Korean Chemical Society
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• 제15권2호
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• pp.150-153
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• 1994

By treating mer, trans-Re(${\equiv}NC_6H_5)(PPh_3)_2Cl_3$, Ⅰ, with 5 atm of CO at room temperature for 52 h, fac-Re(${\equiv}NC_6H_5)(CO)(PPh_3)Cl_3$, Ⅱ, was obtained as dark green precipitates in 81% yield. The crystal structure of Ⅱ was determined through X-ray diffraction. Ⅱ crystallizes in the monoclinic system, space group $P2_1/n$ with cell parameters a=9.740 (2) ${\AA}$, b=16.210 (5) ${\AA}$, c=16.192 (6) ${\AA}$, ${\beta}$=97.50 $(2)^{\circ}$, and Z=4. Least-squares refinement of the structure led to a R$(R_w)$ factor of 0.030 (0.036) for 2878 unique reflections of I>3${\sigma}(I)$ and for 241 variables. In comparison to the starting material Ⅰ, the bond distance of Re-N became longer from 1.726 (6) to 1.736 (5) ${\AA}$ and the bond angle of Re-N-C(Ph) became smaller from 172.6 (6) to 167.0 $(2)^{\circ}$, indicating that the Re-N bond in Ⅱ is weakened and has a less triple-bond character than that in Ⅰ.

• The Journal of Advanced Prosthodontics
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• 제16권2호
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• pp.105-114
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• 2024

PURPOSE. This study aimed to evaluate the effect of pretreatment of three different universal adhesives (Single Bond Universal [SBU], All-Bond Universal [ABU], and Prime&Bond universal [PBU]) on the bonding durability of an adhesive (Panavia F 2.0, PF) and a conventional (Duo-Link, DL) resin cements to air-abraded zirconia. MATERIALS AND METHODS. Rectangular-shaped zirconia specimens were prepared. The chemical composition and surface energy parameters of the materials were studied by Fourier transform infrared spectroscopy and contact angle measurement, respectively. To evaluate resin bonding to the zirconia, all the bonding specimens were immersed in water for 24 h and the specimens to be aged were additionally thermocycled 10000 times before the shear bond strength (SBS) test. RESULTS. The materials showed different surface energy parameters, including the degree of hydrophilicity/hydrophobicity. While the DL/CON (no pretreatment) showed the lowest SBS and a significant decrease in the value after thermocycling (P < .001), the PF/CON obtained a higher SBS value than the DL/CON (P < .001) and no decrease even after thermocycling (P = .839). When the universal adhesives were used with DL, their SBS values were higher than the CON (P < .05), but the trend was adhesive-specific. In conjunction with PF, the PF/SBU produced the highest SBS followed by the PF/ABU (P = .002), showing no significant decrease after thermocycling (P > .05). The initial SBS of the PF/PBU was similar to the PF/CON (P = .999), but the value decreased after thermocycling (P < .001). CONCLUSION. The universal adhesive pretreatment did not necessarily show a synergistic effect on the bonding performance of an adhesive resin cement, whereas the pretreatment was beneficial to bond strength and durability of a conventional resin cement.