• Journal of Pharmaceutical Investigation
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• 제18권4호
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• pp.209-215
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• 1988

The three-dimensional structures of piroxicam crystallized from two different solvents, toluene and toluene/hexane mixture respectively, are proved identical: $C_{15}H_{13}N_3O_4S,\;M\;=\;331.35$, monoclinic, a = 7.128(1), b = 15.146(2), c = 13.956(2) ${\AA},\;{\beta}=\;97.33(1)^{\circ},\;V\;=\;1494.37{\AA}^{3},\;Dx\;=\;1.472\;g/cm^{3},\;Z\;=\;4,\;space\;group\;P2_{1}/c,\;Mo\;K{\alpha}(\lambda=\;0.71073\;{\AA})$, F(000) = 688, T = 295 K, R = 0.0611 for 1993 unique observed reflections. The thiazine ring exhibits a half chair conformation. An amide group is involved in an intramolecular hydrogen bond to the hydroxy group, O(17)-H(17)${\cdots}O(15){\AA}$. The molecule is planar within 2 ${\AA}$ with the interplanar angle $127.9(4)^{\circ}$ between pyridine and benzene rings. A molecular chain parallel to [011] is formed by two intermolecular hydrogen bonds N(16)-H(6)${\cdots}O(11)$ and C(6)-H(6)${\cdots}O(11)$, and the molecular chains are held together by van der Waals forces.

• 한국산학기술학회:학술대회논문집
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• 한국산학기술학회 2003년도 춘계학술발표논문집
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• pp.328-330
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• 2003

A surface equation of state for globular proteins at air-water interface accounting for the molecular structure, segment-segment, segment-solvent, and electrostatic interactions was proposed and compared to C-14 isotope experiments. This lattice model comprised a simplifying assumption that all adsorbed segments are in the form of trains. The number of segment adsorbed per molecule in case of bovine serum albumin linearly depended on the surface concentration whereas the lysozyme segments adsorbed at the interface were independent of surface concentration. The segment-solvent(water) interaction for both of proteins were found to be unfavorable owing to the proteins unfolding. From comparison of model computation and experimental data, BSA unfolded more than lysozyne because of the larger surface area of contact.

• Bulletin of the Korean Chemical Society
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• 제16권7호
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• pp.591-594
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• 1995

The influence of protecting groups on the β-sheet-structure-stability of protected peptides was studied in organic solvents. α-amino groups, carboxyl groups and side chain functional groups of model peptides were protected by suitable groups commonly used in peptide synthesis. The difference of the solubilities of model peptides was investigated by the solvent-titration method by using IR absorption spectra. The β-sheet structure of model peptide in CH2Cl2 was easily disrupted by increasing the amounts of DMSO. The β-sheet-structure-stabilizing potentials of each protecting group showed similar behaviors except Npys, Mts and Z2. The result exhibits that the < SPβ > values of protected peptides are almost independent of the kinds of their protecting groups.

• 고무기술
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• 제9권1호
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• pp.25-28
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• 2008

By combining the multi-faceted environmental responsiveness of polymer hydrogels with photonically active structures, there has been a significant effort to create color-tunable photonic crystal sensors by changing either the periodic spacing of the structure or the dielectric constants of the materials. Here, we show that reversible spiral and helical opal switches with both dimensional and optical functionalities that respond to environmental chemistry can be constructed. When the transparent opal switch is swollen in hydrophilic acetic acid, right-handed spirals and helices that exhibit angularly dependent colors from Bragg diffraction are formed. When the transparent opal switch is swollen in hydrophobic hexane, left-handed spirals which exhibit angularly dependent colors from Bragg diffraction are formed. When the transparent opal switch is swollen in hydrophobic hexane solvent, a left-handed spiral and helix with an angularly independent bluish color is formed. After deswelling, all switches returned back to the transparent planar state. These color-tunable, reversible spiral and helical opal switches can be useful as mechanical actuators, and electrical devices as well as optical components.

• Bulletin of the Korean Chemical Society
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• 제34권10호
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• pp.2877-2882
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• 2013

Second-order rate constants ($k_{Ox^-}$) have been measured spectrophotometrically for nucleophilic substitution reactions of 4-nitrophenyl X-substituted-cinnamates (7a-7e) and Y-substituted-phenyl cinnamates (8a-8e) with butane-2,3-dione monoximate ($Ox^-$) in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The Hammett plot for the reactions of 7a-7e consists of two intersecting straight lines while the Yukawa-Tsuno plot exhibits an excellent linearity with ${\rho}_X$=0.85 and r=0.58, indicating that the nonlinear Hammett plot is not due to a change in the rate-determining step but is caused by resonance stabilization of the ground state (GS) of the substrate possessing an electron-donating group (EDG). The Br${\o}$nsted-type plot for the reactions of Y-substituted-phenyl cinnamates (8a-8e) is linear with ${\beta}_{lg}$ = -0.64, which is typical of reactions reported previously to proceed through a concerted mechanism. The ${\alpha}$-nucleophile ($Ox^-$) is more reactive than the reference normal-nucleophile ($4-ClPhO^-$). The magnitude of the ${\alpha}$-effect (i.e., the $k_{Ox^-}/k_{4-ClPhO^-}$ ratio) is independent of the electronic nature of the substituent X in the nonleaving group but increases linearly as the substituent Y in the leaving group becomes a weaker electron-withdrawing group (EWG). It has been concluded that the difference in solvation energy between $Ox^-$ and $4-ClPhO^-$ (i.e., GS effect) is not solely responsible for the ${\alpha}$-effect but stabilization of transition state (TS) through a cyclic TS structure contributes also to the Y-dependent ${\alpha}$-effect trend (i.e., TS effect).

• 한국결정학회지
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• 제6권1호
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• pp.36-42
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• 1995

상기제목의 화합물의 두가지 단결정이 n-hexane/CH2C12 과 n-hexane/Et2O 의 용매에 의하여 얻어졌으며, 그들의 서로 다른 공간군에도 불구하고 그들의 분자구조는 동일함이 밝혀졌다. C22H18N2O2 (I), Mr=343.70, Monoclinic, Pa, a=14.595(2), b=5.413(2), c=12.218(2)Å, β=96.86(1)°, V=958.3Å3, Z=2, Dx=1.19 Mgm-3, λ(MoKα)=0.71069Å, μ=0.072mm-1, F(000)=360.0, T=292K, 756 유일한 반사강도에 대하여 R=0.104이다. 한 비대칭단위는 분자간의 두 개의 N-H…O 수소결합으로 연결된 dimer이다. C11H9NO (II), Mr=171.85, Monoclinic, P21/a, a=14.611(2), b=5.423(6), c=12.191(2)Å, β=96.89(1)°, V=959.0Å3, Z=4, Dx=1.19 Mgm-3, λ(MoKα)=0.71069Å, μ=0.072mm-1, F(000)=360.0, T=293K, 824 개의 유일한 반사강도에 대한 R=0.066이다. 한 분자가 비대칭단위를 이루고 있으며 대칭중심관계에 있는 두 개의 N-H…O 수소결합으로 dimer 를 형성한다. 양쪽 구조에서 공히 선형인 diyne chain에 의하여 연결된 pyridyl 고리와 C(10)-C(11)-O가 만드는 평면간의 이면각은 수직에 가까우며, 그 분자들은 b-축을 반복주기로하여 b-축을 따라 쌓여있다.