• 제목/요약/키워드: Compound Ⅲ

검색결과 11,918건 처리시간 0.041초

Theoretical Study of the N-(2,5-Methylphenyl)salicylaldimine Schiff Base Ligand: Atomic Charges, Molecular Electrostatic Potential, Nonlinear Optical (NLO) Effects and Thermodynamic Properties

  • Zeyrek, Tugrul C.
    • 대한화학회지
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    • 제57권4호
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    • pp.461-471
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    • 2013
  • Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

참깨박에 함유된 Phytate와 Phenol 화합물의 제거가 단백질의 기능성에 미치는 영향 (Effect of Reduction of Phytate and Phenol Compound on the Functional Properties of Sesame Protein Concetrate)

  • 김진;박정룡
    • 동아시아식생활학회지
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    • 제3권2호
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    • pp.129-137
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    • 1993
  • This study was attempted to determine the effect of reduction of phytate and phenol compound on the functional properties of sesame protein concentrate. The concentrates were prepared by using dist-water, HCI and butanol. The content of phytate and phenol compound in defatted sesame meal were 4.55% and 3.42% respectively. Considerable amount of phytate was reduced by using HCI, and butanol was effective in removing phenol compounds, Higher bulk density and fat absorption were found in sesame protein concentrate prepared by butanol but higher water absorption was found in the concentrate prepared by dist-water. Also, emulsifying and foaming properties were improved by butanol treatment.

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메틸유제놀에 의한 즉시형 과민 반응의 억제 (Suppression of Immediate Hypersensitivity by Methyleugenol)

  • 김창영;신태용;김형민
    • 약학회지
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    • 제41권2호
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    • pp.268-272
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    • 1997
  • We studied the action of methyleugenol on immediate hypersensitivity. Methyleugenol completely inhibited systemic anaphylaxis induced by compound 48/80 in mice. Methyleugenol al so inhibited local anaphylaxis induced by anti-dinitrophenyl (DNP) IgE. Moreover, methyleugenol dose-dependently inhibited histamine release in peritoneal mast cells activated by compound 48/80 or anti-DNP IgE. These results suggest that the inhibitory effect of methyleugenol on anaphylaxis induced by compound 48/80 or anti-DNP IgE is due to, in part at least, the membrane stabilization of mast cells.

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Crystal Structure Analysis of N,N'-bis(3-chloro-2-methylsalicylidene)-1,4-butanediamine

  • Sharmila, P.;Rajesh, R.;Venkatesan, R.;Ganapathy, Jagadeesan;Aravindhan, S.
    • 통합자연과학논문집
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    • 제9권4호
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    • pp.255-260
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    • 2016
  • The crystal structure of the saliciline derivatives N,N'-bis(3-chloro-2-methylsalicylidene)-1,4-butanediamine ($C_{20}H_{22}Cl_2N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the triclinic space group $P{\bar{i}}$ with unit cell dimension $a=4.6085(3){\AA}$, $b=5.9747(3){\AA}$ and $c=5.9747(3){\AA}$ [${\alpha}=83.889(4)^{\circ}$, ${\beta}=86.744(5)^{\circ}$ and ${\gamma}=82.085(5)^{\circ}$]. The title compound is essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...N intra molecular interactions

Crystal Structure Analysis of 4-Chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol

  • Sharmila, P.;Rajesh, R.;Venkatesan, R.;Ganapathy, Jagadeesan;Aravindhan, S.
    • 통합자연과학논문집
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    • 제9권4호
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    • pp.261-267
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    • 2016
  • The crystal structure of the saliciline derivatives 4-chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol ($C_{15}H_{15}ClNO_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group P21/c with unit cell dimension $a=11.5241(2){\AA}$, $b=8.733(2){\AA}$ and $c=13.649(2){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=130.876(2)^{\circ}$ and ${\gamma}=90^{\circ}$]. the title compound are essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...O inter molecular interactions.

Synthesis and de-pigmentation effect of phenolic glucoconjugates

  • Kim, Ki-Ho;Kim, Ki-Soo;Lee, Jae-Soeb;Ko, Kang-Il;Lee, Soo-Hee
    • 대한화장품학회지
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    • 제27권1호
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    • pp.99-109
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    • 2001
  • Novel glucoconjugates phenolic moiety, 3-(methoxycarbonyl)-4-(hydroxyphenyl)-$\beta$-D-glucopyranoside(4), 3-(methoxyacetyl)-4-(hydroxyphenyl)-$\beta$-D-glucopyranoside(7), 4-(hydroxyphenyl)-$\beta$-D-ribofuranoside(11), were synthesized. In order to investigate their depigmentation effect, inhibitory activity against mushroom tyrosinase and inhibitory activity of melanin synthesis in B16 melanoma cell were evaluated in vitro. Compound 11 showed 92.0$\mu\textrm{g}$/㎖ of tyrosinase inhibitory activity whereas compound 4 and 7 showed very low activity not less than 300$\mu\textrm{g}$/㎖. Inhibitory activities of melanin synthesis in B16 melanoma cell of compound 4, 7, and 11 were 8.7, 15.1, and 36.0%, respectively, at the concentration of 100$\mu\textrm{g}$/㎖. Inhibitory activity of compound 11 was much higher than that of arbutin at the same concentration.

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Enterococcus faecium 19-46-4에 의한 Cholic Acid의 생산

  • 정은영;김명수;이철훈;김병홍
    • 한국미생물·생명공학회지
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    • 제24권5호
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    • pp.540-545
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    • 1996
  • A facultative anaerobe Enterococcus faecium 19-46-4 was used to study the production of an antimicrobial substance in anaerobic conditions. Major part of the antibiotic activity was found in the culture filtrate of the bacterium. The active compound was extracted by an equal volume of iso-butanol and concentrated in vacuo (at 50$\circ$C) before purification by C-18 liguid column chromatography and HPLC. A chromatographically pure compound was obtained by two passages of HPLC columns, The compound appeared as a pale-yellow powder. The yield was about 2.5 mg 1$^{-1}$ culture filtrate. The compound was named as KIST 194. KIST 194 were identified as cholic acid (3$\alpha$, 7$\alpha$, 12$\alpha$-trihydroxy-5$\beta$-cholan 24-oic acid) based on its physico-chemical properties determined by UV, IR, $^{1}H-NMR, $^{13}$C-NMR, El-MS and LC-MS.

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SCM440강의 플라즈마 질화특성에 미치는 가스비율의 영향 (The Effect of the Gas Ration on the Characteristics of Plasma Nitrided SCM440 Steel)

  • 김무길
    • Journal of Advanced Marine Engineering and Technology
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    • 제22권5호
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    • pp.712-720
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    • 1998
  • The effect of H2:N2 gas ratio on the case thickness hardness and nitrides formation in the sur-face of SCM440 machine structural steel have been studied by micro-pulse plasma process. The thickness of compound layer increased with the increase of nitrogen content in the gas com-position. The maximum thickness of compound layer the maximum case depth and the maximum surface hardness were about 15.8${\mu}m$, 400${\mu}m$ and Hv765 respectively in the nitriding condition of 250Pa and 70% nitrogen content at $520^{\circ}C$ for 7hrs. Generally only nitride phases such as ${\'{\gamma}}$($Fe_4N$)$\varepsilon(Fe_2}{_3N}$ phases were detected in compound and diffusion layer by XRD analysis. The amount of $\varepsilon(Fe_2}{_3N}$ phase increased with the increase of nitrogen content. The relative amounts and kind of phases formed in the nitrided case changed with the change of nitrogen content in the gas composition.

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Reverse Engineering of Compound Surfaces Using Boundary Detection Method

  • Cho, Myeong-Woo;Seo, Tae-Il;Kim, Jae-Doc;Kwon, Oh-Yang
    • Journal of Mechanical Science and Technology
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    • 제14권10호
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    • pp.1104-1113
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    • 2000
  • This paper proposes an efficient reverse engineering technique for compound surfaces using a boundary detection method. This approach consists in extracting geometric edge information using a vision system, which can be used in order to drastically reduce geometric errors in the vicinity of compound surface boundaries. Through the image-processing technique and the interpolation process, boundaries are reconstructed by either analytic curves (e. g. circle, ellipse, line) or parametric curves (B-spline curve). In other regions, except boundaries, geometric data are acquired on CMM as points inspected using a touch type probe, and then they are interpolated on several surfaces using a B-spline skinning method. Finally, the boundary edge and the skinned surfaces are combined to reconstruct the final compound surface. Through simulations and experimental works, the effectiveness of the proposed method is confirmed.

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복합기하곡면의 효율적인 공구경로 생성 (Efficient Tool Path Generation of Compound Geometric Surface)

  • 한충규;이동주
    • 한국정밀공학회:학술대회논문집
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    • 한국정밀공학회 1995년도 춘계학술대회 논문집
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    • pp.429-433
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    • 1995
  • Compound solid is maded for specially fixed object. A number of compound soild are devided as a unit germetric solid. The special case of rotation about an arbitrary axis makes according selection modelfor transformation. View plane and View region are estiblished for back face removal. After back-face removal eachedge is checked for point of intersection. The designing of of fset surface id maded and tool-path gernerted on the part surface. In tersection point is checked among the offset surfaces. The paper used an efficient algorithm for generating tool paths to apply a notion view volume. Through machining experiments with a 3-axis machining centre, the adequacy of the analysis was confirmed.

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