• Biomolecules & Therapeutics
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• v.5 no.4
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• pp.369-375
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• 1997

General pharmacological effects of SB-31$^{R}$, the extracts of Pulsatilla koreana, were investigated in mice, rats and guinea-pigs. Intravenous injection of SB-31 (3 and 6 ml/kg) produced almost no effect on central nervous system no effects on the general symptom and behaviors of mice, spontaneous locomotor activity, pentobarbital- induced sleeping time , rotared performance , electroshock and pentylenetertrazole -induced seizures, acetic acid-induced writhing and normal body temperature in mice. SB-31 showed little effects on the spontaneous movement of the isolated ileum and contraction induced by agonists in isolated ileum, suggesting no influence on autonomic nervous system. Administration of SB-31 also did not show any effect on blood pressure in conscious rats. However, a slight decrease in heart rate was observed at high doses (6 and 10 ml/kg) of SB-31 in conscious rats. Similarly, a slight increase in respiratory rate was observed at 6 m1/kg of SB-31 in anesthetized rats. SB-31 did not produce any effect at the dose of 3 ml/kg, but showed a tendency to increase the urinary volume at 6 ml/kg, and produced a decrease in urinary excretions of N $a_{+}$and $K_{+}$at 6 ml/kg. However, transport capacity within the gastrointestinal tract and the secretion of the gastric juice were not influenced by 6 ml/kg of SB-31. In conclusion, these results suggest that SB-31 did not pro-duce any acute effects on the central nervous system, autonomic nervous system, respiratory and circulatory systems, digestive system and kidney function at the dose of below 3 ml/kg.ml/kg.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.792-796
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• 2003

Polychlorinated dibenzo-p-dioxins (PCDDs) are extremely toxic and persistent environmental pollutants. Their chemical reactivities and other physicochemical/biological properties show a strong dependence on the chlorination pattern. With increasing the number of chlorines, dioxin congeners become more electronegative and gain higher electron affinities. The vertical electron affinities (VEA) are related with the LUMO energies of neutral molecules. LUMO energies of all PCDD congeners were calculated at the B3LYP/6-31G** level and those of some selected congeners at the level of B3LYP/6-311G**//B3LYP/6-31G** and B3LYP/cc-pvtz/ /B3LYP/6-31G**. The total energies of neutral and anionic species for dibenzo-p-dioxins (DD), 1469-TCDD, 2378-TCDD, and OCDD were calculated at the level of B3LYP/6-31G**, B3LYP/aug-cc-pvdz, and B3LYP/ aug-cc-pvtz//B3LYP/6-31G**. By using the four congeners with D2h symmetry as reference molecules, we could estimate VEA (B3LYP/aug-cc-pvdz) of 75 PCDD congeners based on the linear correlations between LUMO energy and VEA (B3LYP/6-31G**) and between VEA (B3LYP/6-31G**) and VEA (B3LYP/aug-ccpvtz// B3LYP/6-31G**). Results show that all PCDDs with the number of Cl ≥ 3 have positive electron affinities. The PCDD electron affinity values provided in this work can be a useful data set in understanding the congener-specific reactivities of dioxins in various environmental media.

• Bulletin of the Korean Chemical Society
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• v.25 no.6
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• pp.847-851
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• 2004

The complexation characteristics of tetramethyl (1) and tetraethyl esters (2) of p-tert-butylcalix[4]arene with alkali metal cations have been investigated by ab initio calculation. The structures of endo- or exocomplexation of the hosts in cone conformation with alkali metal ions have been optimized using HF/6-31G method followed by B3LYP/6-31G(d) single point calculation. B3LYP/6-31G(d) calculations suggest that exo-complexation efficiencies of sodium ion to the cavity of lower rim of hosts 1 and 2 are 27.1 and 25.8 kcal/mol better than that of potassium ion, respectively. The exo-complexation efficiencies of potassium ion to the cavity of lower rim of hosts 1 and 2 are 33.3 and 31.5 kcal/mol better than the endo-complexation inside the upper rim (four aromatic rings) as expected from the experimental results. B3LYP/6-31G(d) calculation of the ethyl ester 2 shows 29.5 and 30.8 kcal/mol better exo-complexation efficiency for both sodium and potassium ions than the methyl ester 1.

• Journal of the KSME
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• v.19 no.4
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• pp.326-331
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• 1979

압력배관에 대한 미국의 국가규준으로는 다음과 같은 것이 있다. Section 1. Power Piping ANSI B31.1 Section 2. Fuol Gas Piping ANSI B31.2 Section 3. Petroleum Refinery Piping ANSI B31.3 Section 4. Liquid Potroleum Transportation Piping ANSI B31.4 5. Section Refrigeration Piping ANSI 31.5 Section 6. Chemical Plant Piping ANSI B31.6 Section 7. Nuclear Power Piping ANSI B31.7 Section 8. Gas Transmission and Distribution Piping Systems ANSI B31.8 이중에서 Power Piping ANSI B31.1은 1977년도에 공진청에서 제정한 "압력배관 기술 기준 (1) "의 기본이 되고 있다. 금반의 냉동배관 기술기준 제정에 있어서도 이것이 압력배관의 범주내에 포함되는 것이기 때문에 기준의 통일성을 기하기 위하여서는 압력 배관기술기준(1)에 준하여 ANSI B31.5 Refrigeration Piping을 기본으로 하여야 할 것으로 고려하였다. 현재 각국의 압력 배관에 대한 기술기준은 그 형식은 여하간에 기본적으로는 ANSI B31. 시리즈에 따르고 있고 또 이 규준이 국제적으로 인정 널리 시행되고 있으므로 본 냉동배관 기술기준도 ANSI B31.5에 따라 제정하는 것이 타당성이 있는 것으로 고려하였다.

• Bulletin of the Korean Chemical Society
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• v.30 no.4
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• pp.837-845
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• 2009

We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the calix[6]arene (1) and p-tert-butylcalix[6]arene (2). The structures of various conformers of 1 were optimized by using the B3LYP/6-31G(d,p) and /6-31+G(d,p) methods followed by single point calculation of MPW1PW91/ 6-31G(d,p). The relative stability of the conformers of 1 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) $\sim$ 1,2-alternate $\sim$ 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of different conformers of 2 were optimized by using the B3LYP/6-31G(d,p) method followed by single point calculation of MPW1PW91/6-31G(d,p). The relative stability of the conformers of 2 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate $\sim$ partial-cone > 1,2,3-alternate > 1,3,5alternate > 1,3-alternate. One of the important factors affecting the relative stabilities of the various conformers of the 1 and 2 is the number and strength of the intramolecular hydrogen bonds.

• Journal of the Korea Convergence Society
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• v.11 no.2
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• pp.315-321
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• 2020

This research explores the change of smoking cessation motivation, maintenance(6months) from the heavy smokers who have experienced residential treatment. Data was collected by the questionnaires about participates motivation from 1st August 2015 to 31st December 2018. Total participates were 1317 that 1248 males (94.8%) and 69 females (31.3%). The most of participants answered their period of smoking was 31-40years as 31.3% (413p) of total participants. Motivation improved after residential treatment, and the 6-month success group had overall cessation of smoking cessation (F=6.52, p=.011), In the subcategories, pre-contemplation(F=5.12, p=.024), contemplation(F=.90, p= .341), preparation-level1(F=5.79, p=.016) and preparation-level2(F=1.33, p=.249) were statistically significant. Thus, this research investigates that the residential program for smoking cessation actually works to the heavy smokers to increased their motivation and that the 6-month success group had stronger.

• Bulletin of the Korean Chemical Society
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• v.20 no.5
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• pp.559-566
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• 1999

Gas-phase alkylations of delocalized ambident anions, Y---CH---X- where X, Y=CH2, O, or S, have been investigated theoretically at the MP2/6-31+G*//MP2/6-31+G* and QCISD/6-31+G*//MP2/6-31+G* lev-els. O-and S-alkylations (X=O and S) are more favored kinetically by ΔE^≠ = 4.6 and 9.8 kcal mol-1 than the respective C-alkylations even though they are thermodynamically less favored by 22.4 and 6.0 kcal mol-1 respectively. It was found that the transition structures for the C-alkylations are imbalanced due to the endoergic rehybridi-zation of the carbon center from sp2 to sp3 which leads to premature bond contraction of the C-Y bond and delayed bond stretching of the C-X bond. In the O-, or S-alkylation, such endoergic process is not required since the σ-lone pair on O or S is involved in the initial stage of alkylation. The imbalanced TSs for the C-alkylation are accompanied by higher intrinsic barriers and deformation energies.

• Journal of Welding and Joining
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• v.30 no.6
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• pp.56-61
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• 2012

Magnesium alloy sheet which is commercially available in the market presently is AZ31B, a Mg-Al-Zn three elements alloy. AZ31B is used by being classified into AZ31B-H24 and AZ31B-O depending on temper designation. In this study, AZ31B-H24 and AZ31B-O alloy sheets with 1.25mm thickness were butt-welded using CW Nd:YAG laser. And the effect of materials on mechanical properties was investigated by tensile and hardness tests. As a result of this study, regardless of materials, the butt-welded joint did not show a significant difference in tensile strength and hardness values. However, compared with the basemetal, the AZ31B-O showed more outstanding mechanical properties than AZ31B-H24, and that is because H24 material lost the effect of work hardening during welding.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.31 no.6
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• pp.133-140
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• 2003

• Journal of Korea Foundry Society
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• v.31 no.6
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• pp.326-331
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• 2011