• Journal of the Korean Wood Science and Technology
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• v.34 no.5
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• pp.104-110
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• 2006

We investigated why aspen extractives are more resistant in kraft pulping than pine extractives. Residual extractives content in aspen kraft pulps were 0.5~1.1% compared with 0.1~0.2% in pine pulps. This different response arises from the different composition of extractives in wood chips. Resin acids in pine were almost completely removed in kraft pulping but those are not existence in aspen. Slower saponification of aspen steryl esters resulted from different chemical structure of aspen steryl esters. Main sterols in aspen steryl esters were 24-methyl cyclolanostenol which was highly resistant to alkaline hydrolysis with its characteristic steric hindrance. Sterols in aspen were not well removed in kraft pulping. The relative composition of sterol in aspen kraft pulps was increased with increasing pulping time. The presence of fatty acids in aspen kraft pulps is considered to unusual. Fatty acids in alkaline are supposed to be well ionized and removed well in the washing stage. Nevertheless, there were significant amount of fatty acids remaining in aspen kraft pulps.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4179-4184
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• 2011

The nucleophilic substitution reactions of bis(2,6-dimethylphenyl) chlorophosphate (5), containing the four ortho-methyl substituents, with X-pyridines are investigated kinetically in MeCN at $65.0^{\circ}C$. The free energy correlations for substituent X variations in the nucleophiles exhibit biphasic concave upwards with a breakpoint at a X = 3-Cl. Unusual positive ${\rho}_X$ (= +5.40) and negative ${\beta}_X$ (= -0.83) values are obtained with the weakly basic pyridines. The pyridinolysis rate of 5 is hundreds times slower compared to that of bis(phenyl) chlorophosphate because of the steric hindrance of the four ortho-methyl substituents in the two phenyl rings. Ion-pair mechanism is proposed and positive ${\rho}_X$ and negative ${\beta}_X$ values are substantiated by an imbalance of the transition state.

• Journal of Photoscience
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• v.8 no.2
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• pp.79-82
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• 2001

2-(p-Diethylaminostyryl)pyrrole (I) and 2-[5-diethylaminothienyl]vinyl]pyrrole (II) derivatives with systematic variation of the acceptors have been synthesized and their first hyperpolarizabilities were measured. The $\beta$ values increased systematically as the aromatic resonance energy decreased. Moreover, the value of $\beta$ for the former increased gradually as the acceptor strength increased. The opposite trend observed in the latter series of compounds has been attributed to the distorted structure caused by the steric hindrance between the N-methyl group and the acceptor moiety.

• Macromolecular Research
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• v.8 no.3
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• pp.125-130
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• 2000

Resorcinol formaldehyde resins are synthesized by polycondensation of resorcinol with formal-dehyde and have various structures by the condensation type. The influence of polycondensation type on the stability and structure of the resorcinol formaldehyde resin was studied by molecular mechanics and molecular dynamics. The resins formed by 2,6-polycondensation and 4,6-polycondensationwith head-to-tail orientations have structures of intramolecular hydrogen bonds between 1-hydroxyl groups and between outer hydroxyl groups of the adjacent resorcinols, respectively. The resin formed by 2,6-polycon-densation with head-to-head orientation has a structure that inner hydroxyl groups cluster in the center of the molecule. Energetical stability of the resin is affected by both the intramolecular hydrogen bonds and the steric' hindrance by phenyl group.

• The Korean Journal of Rheology
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• v.9 no.1
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• pp.1-5
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• 1997

새로이 합성한 계면확성제와 대표적 분산용 계면활성제의 분산효과를 상호 비교해 보기 위하여 고농도 석탄-물 슬러리계에 대한 유변학ㅈ거 성질을 측정하였다. 0~$25^{\circ}C$ 온도 범위에서 얻어진 유동곡선으로부터 여러 가지 유동 파라미터를 구한 결과, PS가 상대적으로 structure factor, C2와 shear modulus, $\chi$2/$\alpha$2 값에 있어서 큰 감소를 보여 주엇으며 특히 shear modulus는 계면활성제의 종류에 따라 큰차이를 보여주었다. 이러한 현상을 PS가 다 가음이곤 고분자 전해질과 유사한 구조를 갖고있어서 석탄 입자에 흡착시 입자간 정전기적 반발과 입체장애를 초래하여 슬러리의 유동성을 향상시킨데 따른 결과로 해석된다.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.215-215
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• 2011

The bonding configuration and adsorption stability of alanine and leucine adsorbed on Ge(100)-2${\times}$1 surface were investigated and compared using core-level photoemission spectroscopy (CLPES) and density functional theory (DFT) calculations. The bonding configuration, stability, and adsorption energies were evaluated for two different coverage levels. In both cases, the C 1s, N 1s, and O 1s core-level spectra at a low coverage (0.30 ML) indicated that the carboxyl and amine groups participated in bonding with the Ge(100) surface in an "O-H dissociated-N dative bonded structure". At high coverage levels (0.60 ML), both this structure and an "O-H dissociation bonded structure" were present. As a result, we found that alanine adsorbs more easily (lower adsorption energy) than leucine on Ge(100) surfaces due to less steric hindrance of side chain.

• Archives of Pharmacal Research
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• v.22 no.5
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• pp.507-514
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• 1999

6-(1-azidoalkyl)-DMNQ derivatives compared to 2-(1-azidoalkyl)-DMNQ isomers, exhibited higher cytotoxic activity against L1210 mouse leukemia cells and stronger inhibition of DNA topoisomerase-I (TOPO-I), suggesting involvement of steric hindrance. However, similar antitumor activity against mice bearing S-180 cell was shown by 2-an 6-(1-azidoalkyl)-DMNQ derivatives.

• YAKHAK HOEJI
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• v.39 no.3
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• pp.329-336
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• 1995

Conformational free energy calculations using an empirical potential function and a hydration shell model(program CONBIO) were carried out on hypoglycemic agent acetohexamide and tolazamide in the unhydrated and hydrated states. The initial geometry of sulfonylureas was obtained from X-ray crystallographieal data and homologous molecular fragments. In both states, the feasible conformations were obtained from the calculations of conformational energy, conformational entropy, and hydration free energy by varying all the torsion angles of the molecules. From the calculation results, it is known that the conformations] entropy is the major contribution to stabflize the low-free-energy conformations of two sulfonylureas in both states. But, in hydrated state, the hydration does not directly affect each conformations. The intramolecular hydrogen bonding of sulfonylurea hydrogen and 7-membered nitrogen appeared to the conformations of tolazamide in both states. It is thought that the hydrogen bonding decrease steric hindrance on the receptor binding direction. The substitution of alicyclic or N-heterocyclic ring than that of carbons chain of urea moiety may be properly interaction between sulfonylureas and the putative pancreatic receptor.

• Archives of Pharmacal Research
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• v.17 no.6
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• pp.434-437
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• 1994

1-Polyoxyphenyl-3-(2, 6-dioxyphenyl)propane-1, 3-diones have been synthesized as intermediates for flavone synthesis by condensation of 2-(2, 6-dioxybenzoyloxy)polyoxyacetophenone in the presence of phae transfer catalyst. The average yields of 1-polyoxyphenyl-3-phenylpropane-1, 3-diones, 1-polyoxyphenyl-3(2-benzyloxyphenyl)propane-1, 3-diones and 1-polyoxy-3-(2, 6-dibenzyloxyphenyl)propane-1, 3-dions were 79%, 74% and 71% respectively. The bulkiness of the benzyloxy groups or methyoxy gorups exerted steric hindrance and reduced the yield. Nevertheless, the yield were higher than the previously reported ones.

• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3614-3617
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• 2011

A density functional theory method with the local basis set was employed to perform slab calculations to study thiolate-induced surface reconstruction structures of butylthiolates (ButS) with c($4{\times}2$) superlattice of the Au(111) surface. The slab calculations indicate that the most stable adsorption structure is the ButS-Au (adatom)-SBut complex form, which is in good agreement with the reported experiments and theoretical results for thiolates with shorter alkyl chains. The cis form of ButS-Au (adatom)-SBut motifs is preferred by 0.11 eV with respect to the trans form, and by 0.15 eV over the mixed cis-trans configurations due to the steric hindrance between adjacent butyl groups. It appears that the motif of Au adatom on the Au(111) surface is favored even for butylthiolate.