• Title/Summary/Keyword: $O(^1D_2)$

Search Result 5,420, Processing Time 0.039 seconds

2D-QSAR and HQSAR Analysis on the Herbicidal Activity and Reactivity of New O,O-dialkyl-1-phenoxy-acetoxy-1-methylphosphonate Analogues (새로운 O,O-dialkyl-1-phenoxyacetoxy-1-methylphosphonate 유도체들의 반응성과 제초활성에 관한 2D-QSAR 및 HQSAR 분석)

  • Sung, Nack-Do;Jang, Seok-Chan;Hwang, Tae-Yeon
    • The Korean Journal of Pesticide Science
    • /
    • v.11 no.2
    • /
    • pp.72-81
    • /
    • 2007
  • Quantitative structure-activity relationships (QSARs) on the pre-emergency herbicidal activity and reactivity of a series of new O,O-dialkyl-1-phenoxyacetoxy-1-methylphosphonates (S) analogues against seed of cucumber (Cucumus Sativa) were discussed quantitatively using 2D-QSAR and HQSAR methods. The statistical values of HQSAR model were better than that of 2D-QSAR model. From the frontier molecular orbital (FMO) interaction between substrate molecule (S) and $BH^+$ ion (I) in PDH enzyme, the electrophilic reaction was superior in reactivity. From the effect of substituents, $R_2$-groups in substrate molecule (S) contributed to electrophilic reaction with carbonyl oxygen atom while X, Y-groups contributed to nucleophilic reaction with carbonyl carbon atom. And the influence of X,Y-groups was more effective than that of $R_2$-groups. As a results of 2D-QSAR model (I & II) and atomic contribution maps with HQSAR model, the more length of X, Y-groups is longer, the more herbicidal activity tends to increased. And also, the optimal ${\epsilon}LUMO$ energy, $({\epsilon}LUMO)_{opt.}$=-0.479 (e.v.) of substrate molecule is important factor in determining the herbicidal activity. It is predicted that the herbicidal activity proceeds through a nucleophilic reaction. From the analytical results of 2D-QSAR and HQSAR model, it is suggested that the structural distinctions and descriptors that contribute to herbicidal activities will be able to applied new herbicide design.

Optical Properties of TeOx(2x One-dimensional Photonic Crystals (TeOx(22 1차원 광자결정의 광학 특성평가)

  • Kong, Heon;Yeo, Jong-Bin;Lee, Hyun-Yong
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
    • /
    • v.27 no.12
    • /
    • pp.831-836
    • /
    • 2014
  • One-dimensional (1D) photonic crystals (PCs) were prepared by $TeO_x(2<x<3)/SiO_2$ with the difference refractive index, and fabricated by sputtering technique from a $TeO_2$ and $SiO_2$ target. The $TeO_x$(2$Ar:O_2=40:10$). A 10-pair $TeO_x(2<x<3)/SiO_2$ 1D PCs were fabricated with the structure parameters of filling factor=0.5185, and period=410 nm. The properties of 1D PCs with and without a defect layer were evaluated by UV-VIS-NIR. A normal mode 1D PC have a photonic band gap (PBG) in the near infrared (NIR) region from 1,203 to 1,421 nm. In the case of 1D PC containing a defect layer, a defect level appears at 1,291 nm. The measured transmittance (T) spectra are nearly corresponding to calculated results. After He-Cd laser exposure, the defect level is shifted from 1,291 nm to 1,304 nm.

Drag Reduction of a Circular Cylinder With O-rings (O-ring 을 이용한 원주의 저항감소에 관한 실험적 연구)

  • Lim, Hee-Chang;Lee, Sang-Joon
    • Proceedings of the KSME Conference
    • /
    • 2003.04a
    • /
    • pp.2089-2094
    • /
    • 2003
  • The flow around a circular cylinder was controlled by attaching O-rings to reduce drag force acting on the cylinder. Four experimental models were tested in this study; one smooth cylinder of diameter D (D=60mm) and three cylinders fitted with O-rings of diameters d=0.0167D, 0.05D and 0.067D with pitches of PPD=1D, 0.5D and 0.25D. The drag force, mean velocity and turbulent intensity profiles in the near wake behind the cylinders were measured for Reynolds numbers based on the cylinder diameter in the range of $Re_D=7.8{\times}10^3{\sim}1.2{\times}10^5$. At $Re_D=1.2{\times}10^5$, the cylinder fitted with O-rings of d=0.0167D in a pitch interval of 0.25D shows the maximum drag reduction of about 5.4%, compared with the smooth cylinder. The drag reduction effect of O-rings of d=0.067D is not so high. For O-ring circulars, as the Reynolds number increases, the peak location of turbulence intensity shifts downstream and the peak magnitude is decreased. Flow field around the cylinders was visualized using a smoke-wire technique to see the flow structure qualitatively. The size of vortices and vortex formation region formed behind the O-ring cylinders are smaller, compared with the smooth cylinder.

  • PDF

A Study of the Mutual Substitution State in $\textrm{Bi}_{2-xL}\textrm{Sr}_{2}\textrm{Ca}_{1+xL}\textrm{Cu}_{2}\textrm{O}_{8+d}$ Films Prepared by Liquid Phase Epitaxial Method (액상성장법으로 작성한 $\textrm{Bi}_{2-xL}\textrm{Sr}_{2}\textrm{Ca}_{1+xL}\textrm{Cu}_{2}\textrm{O}_{8+d}$ 막에서 각 원소들의 상호치환상태에 관한 연구)

  • Sin, Jae-Su;Ozaki, Hajime
    • Korean Journal of Materials Research
    • /
    • v.9 no.8
    • /
    • pp.849-853
    • /
    • 1999
  • In the study, superconducting properties of $Bi_2$-x(sub)$LSr_2$Ca(sub)1+x(sub)$LCu_2$O(sub)8+d (x(sub)L=0, 0.05, 0.1, 0.2) films prepared by the LPE method was investigated. The peak decompositions of Sr3d and Ca2p XPS spectra, together with the EPMA results, elucidated the occupancies of Bi, Sr and Ca atoms on the SrO- and Ca-layers. The lattice parameter c monotonically increased with increasing x(sub)L for $0\leq$x(sub)L$\leq$0.2. The superconducting critical temperature T(sub)c showed a maximum value around x(sub)L=0.1. The x(sub)L dependence of the superconducting critical temperature T(sub)c and the lattice parameter c are explained by the changes of the excess oxygens in the BiO-layer. Since distribution and deficiency of the atoms in SrO-layer have influenced on superconducting properties and crystal structure.

  • PDF

Phytochemical Study of Hot-Water Extract of Perillae Folium (자소엽(Perillae Folium) 열수추출물의 식물화학성분 연구)

  • Kil, Hyun Woo;Rho, Taewoong;Yoon, Kee Dong
    • Korean Journal of Pharmacognosy
    • /
    • v.51 no.1
    • /
    • pp.55-64
    • /
    • 2020
  • In this study, 15 compounds were elucidated from the hot-water extract of Perillae Folium. Fifteen isolates were determined to be protocatechuic acid (1), caffeic acid (2), (R)-rosmarinic acid (3), (S)-shisoflavanone A (4), luteolin-7-O-β-D-glucuronopyranoside (5), scutellarein-7-O-β-D-glucuronopyranoside (6), apigenin-7-O-β-D-glucuronopyranosyl(1→2)-O-β-D-glucuronopyranoside (7), luteolin-7-O-β-D-glucuronopyranosyl(1→2)-O-β-D-glucuronopyranoside (8), kelampayoside A (9), trans-N-feruloyloctopamine (10), 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide (11), perilloside C (12), perilloside A (13), (6S,9R)-9-hydroxy-megastigma-4,7-dien-3-one-9-O-β-D-glucopyranoside (14) and (6S,9R)-roseoside (15) through spectroscopic evidences. The HPLC analysis revealed that hot-water extract of Perillae Folium contained caffeic acid, rosmarinic acid and glycosides of apigenin, luteolin and scutellarein as main constituents.

The Structures of Two Diosgenin Glycosides Isolated from the Subterranean Parts of Allium fistuiosum (파 지하부로부터 분리된 2종의 Diosgenin 배당체의 구조)

  • Jung, Keun-Young;Do, Jae-Chul;Son, Kun-Ho
    • Journal of the Korean Society of Food Science and Nutrition
    • /
    • v.22 no.3
    • /
    • pp.313-316
    • /
    • 1993
  • The structures of dioscin(1) and saponin P-d(2), isolated from the subterranean part of Allium fistulosum, were determined as diosgenin 3-O-$\alpha$-L-rhamnopyranosyl (1longrightarrow2)-[$\alpha$-L-rhamnopyranosyl (1longrightarrow4)]-$\beta$-D-glucopyranoside (1, ) and diosgenin 3-O-$\alpha$-L-rhamnopyranosyl (1longrightarrow4)-$\alpha$-L-rhamnopyranosyl(1longrightarrow4)[$\alpha$-L-rhamno-pyranosyl (1longrightarrow2)]-$\beta$-D-glucopyranoside (2) by spectroscopic and chemical degradational methods. The prosa-pogenin(4), which was provided on partial hydrolysis of 2, was not reported in previous literature.

  • PDF

Evaluation of Biological Activity on The Hydrolyzable Tannins of Katsura Tree (Cercidiphyllum japonicum) (계수나무 가수분해형 탄닌의 생리활성 평가)

  • Min, Hee-Jeong;Lee, Min-Sung;Kim, Young-Kyoon;Bae, Young-Soo
    • Journal of the Korean Wood Science and Technology
    • /
    • v.45 no.3
    • /
    • pp.250-257
    • /
    • 2017
  • Eight hydrolyzable tannin compounds, such as gallic acid (1), methyl gallate (2), kurigalin (3), 1,2,3,6-tetra-O-galloyl-${\beta}$-D-(+)-glucose (4), 1,2,3,4,6-penta-O-galloyl-${\beta}$-D-(+)-glucose (5), 6-m-digalloyl-1,2,3,4,6-penta-O-galloyl-${\beta}$-D-(+)-glucose (6), isocorilagin (7), macabarterin (8), were isolated from the EtOAc and $H_2O$ soluble fractions of Katsura tree (Cercidiphyllum japonicum) leaves, wood and bark. Then antioxidative and anti-inflammatory activity were evaluated on the each isolated compound. The antioxidative test was DPPH radical scavenging activity and all of the isolated compounds indicated much higher antioxidative values compare to the controls, BHT and ${\alpha}$-tocopherol. In the anti-inflammatory test measuring nitric oxide (NO) inhibition activity, methyl gallate, 1,2,3,6-tetra-O-galloyl-${\beta}$-D-glucose and 1,2,3,4,6-penta-O-galloyl-${\beta}$-D-glucose inhibited NO production, and especially, methyl gallate showed high inhibition activity. However, the anti-inflammatory activity of the hydrolyzable tannins did not show positive effect. Based on the above results, the hydrolyzable tannins of katsura tree may be used as one of the natural biomass sources that can substitute with the synthetic antioxidant.

A New Stilbene Diglycoside from Rheum undulatum

  • Ko, Sung-Kwon
    • Archives of Pharmacal Research
    • /
    • v.23 no.2
    • /
    • pp.159-162
    • /
    • 2000
  • A new stilbene diglycoside, piceatannol-3, 4'-O-$\beta$-D-diglucopyranoside (I), together with desoxyrhaponticin (II), emodin-1-O-$\beta$-D-glucopyranoside (III), and physcion-8-O-b-D-gluco-pyranoside (IV), were isolated from the rhizomes of cultivated Korean rhubarb rhizomes(Rheum undulatum), Jong DaeWhang, and the structures of 1-IV were identified on the basis of chemical and spectral evidences.

  • PDF

Flavonoids from the Leaves of Ginkgo biloba (은행잎의 Flavonoid 성분에 관한 연구)

  • Kang, Sam-Sik;Kim, Ju-Sun;Kwak, Wie-Jong;Kim, Ki-Hyup
    • Korean Journal of Pharmacognosy
    • /
    • v.21 no.2
    • /
    • pp.111-120
    • /
    • 1990
  • Five biflavones and sevenflavonolglycosideswereisolatedfromtheleaves of Ginkgo biloba. They were sciadopitysin(1), ginkgetin(2), isoginkgetin(3), bilobetin(4), amentoflavone(5), kaempferol 3-O-[$6'-O-{\rho}-coumaroyl-{\beta}-_D-glucopyranosyl(1{\rightarrow}2)-{\alpha}-_Lrhamnopyranoside$](6), quercetin 3-O-[$6'-O-{\rho}-coumaroyl-{\beta}-_D-glucopyranosyl(1{\rightarrow}2)-{\alpha}-_Lrhamnopyranoside$](8), rutinosides of kaempferol(7), isorhamnetin(9), quercetin(10), laricitrin(11), and kaempferol 3-O-($2',6'-{\alpha}-_L-dirhamnopyranosyl-{\beta}-_{D}-glucopyranoside$)(12). The structures were established by spectroscopic and chemical methods.

  • PDF