• Title/Summary/Keyword: Indene

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Theoretical Studies on the Structure and Aromaticity of 1H-Indene and Mono-sila-1H-Indene (1H-Indene과 Mono-sila-1H-Indene의 구조와 방향족성에 대한 이론적 연구)

  • Ghiasi, Reza;Monnajemi, Majid
    • Journal of the Korean Chemical Society
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    • v.50 no.4
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    • pp.281-290
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    • 2006
  • The electronic structure and properties of the 1H-indene and mono-sila-1H-indene series have been investigated using basis set of 6-31G(d, p) and hybrid density functional theory. Basic measures of aromatic character derived from structure, molecular orbitals, a variety of magnetic criteria (magnetic isotropic and anisotropic susceptibilities) are considered. Energetic criteria suggest that In(Si7) enjoy conspicuous stabilization. However, by magnetic susceptibility isotropic this system are among the least aromatic of the family: Within their isomer series, In(Si4) is the most aromatic using this criteria. Natural bond orbital (NBO) analysis method was performed for the investigation of the relative stability and the nature of the 8-9 bonds in 1H-indene and mono-sila-1H-indene compounds. The results explained that how the p character of natural atomic hybrid orbital on X8 and X9 (central bond) is increased by the substitution of the C8 and C9 by Si. Actually, the results suggested that in these compounds, the X8-X9 bond lengths are closely controlled by the p character of these hybrid orbitals and also by the nature of C-Si bonds. The magnitude of the molecular stabilization energy associated to delocalization from X8-X9 and to * X8-X9 bond orbital were also quantitatively determined. Molecular orbital (MO) analysis further reveal that all structure has three delocalized MOs and two delocalized MOs and therefore exhibit the aromaticity.

Ozonides from the Ozonolyses of Indene

  • 이강렬;이치원;허태성
    • Bulletin of the Korean Chemical Society
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    • v.20 no.12
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    • pp.1437-1440
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    • 1999
  • Ozonolysis reactions of indene 5 in the presence of carbonyl compounds 6 provided the corresponding indenemonoozonide 9 and cross-ozonides 10a-c and 11a-c. Further reactions of ozonides 10 and 11 with the independently prepared carbonyl oxide 13 gave diozonides of structure 14a-c and 15a-c.

Studies on Photosentitive Polymers (XI). Studies on Photodegradative Reaction of Naphthoquinone-1,2-diazide-5-sulfonyl Esters (感光性 樹脂에 關한 硏究 (第11報). Naphthoquinone-1,2-diazide-5-sulfonyl Esters의 光分解反應)

  • Shim Jyong Sup;Kang Doo Whan
    • Journal of the Korean Chemical Society
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    • v.19 no.4
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    • pp.280-285
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    • 1975
  • The degradation mechanisms of naphthoquinone-1,2-diazide-5-sulfonyl esters(PGND, BEND and PVAND) of polyglyceryl phthalate (PG), bisphenol A-epichlorohydrin (BE) and polyvinyl alcohol (PVA) were studied by infrared absorption spectra. Absorption band due to C=N=and C=O of o-quinonediazide group decreased or disappeared after sufficient exposing to light. And also, absorption band C=O of indene carboxylic acid was increased. From the results, it may be concluded that the above photosensi tive polymers were dissociated to indene carboxylic acid soluble in aqueous alkali solution. Further, the effect of sensitizers were examined by the variation of intensity in infrared absorption spectra of sensitized and unsensitized samples.

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Thermal Formation of Polycyclic Aromatic Hydrocarbons from Cyclopentadiene (CPD)

  • Kim, Do-Hyong;Kim, Jeong-Kwon;Jang, Seong-Ho;Mulholland, James A.;Ryu, Jae-Yong
    • Environmental Engineering Research
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    • v.12 no.5
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    • pp.211-217
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    • 2007
  • Polycyclic aromatic hydrocarbon growth from cyclopentadiene (CPD) pyrolysis was investigated using a laminar flow reactor operating in a temperature range of 600 to $950^{\circ}c$. Major products from CPD pyrolysis are benzene, indene and naphthalene. Formation of observed products from CPD is explained as follows. Addition of the cyclopentadienyl radical to a CPD $\pi$-bond produces a resonance-stabilized radical, which further reacts by one of three unimolecular channels: intramolecular addition, C-H bond $\beta$-scission, or C-C bond $\beta$-scission. The intramolecular addition pathway produces a 7-norbornenyl radical, which then decomposes to indene. Decomposition by C-H bond $\beta$-scission produces a biaryl intermediate, which then undergoes a ring fusion sequence that has been proposed for dihydrofulvalene-to-naphthalene conversion. In this study, we propose C-C bond $\beta$-scission pathway as an alternative reaction channel to naphthalene from CPD. As preliminary computational analysis, Parametric Method 3 (PM3) molecular calculation suggests that intramolecular addition to form indene is favored at low temperatures and C-C bond $\beta$-scission leading to naphthalene is predominant at high temperatures.

Compatibility and Properties of SIS Pressure Sensitive Adhesives (SIS계 점착제의 상용성과 점착물성)

  • Yoon, J.;Shim, M.J.;Kim, S.W.
    • Applied Chemistry for Engineering
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    • v.5 no.5
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    • pp.851-856
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    • 1994
  • Compatibility and viscoelasticity in non-solvent type pressure sensitive adhesive of styrene-isoprene-styreno(SIS) block copolymer with tackifier resin were investigated. In the isoprene phase of SIS block copolymer, it was found that it's compatibility with $C^5$ petroleum resin was good, but that with Coumarone-indents resin was not so good. The magnitudes of peel strength, tack, and holding power were as follows : $C^5$ petroleum resin>rosin ester resin>coumarone-indene resin. The tackifier resin with good compatibility in rubber phase was also effective. However, with plateau modulus value of $1{\times}10^6-3{\times}10^6dyn/cm^2$, the effect of pressure sensitive adhesives was excellent.

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Purification and Characterization of a Recombinant Caulobacter crescentus Epoxide Hydrolase

  • Hwang, Seung-Ha;Hyun, Hye-Jin;Lee, Byoung-Ju;Park, Young-Seub;Lee, Eun-Yeol;Choi, Cha-Yong
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.11 no.4
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    • pp.282-287
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    • 2006
  • A Caulobacter crescentus epoxide hydrolase(CCEH) from a recombinant Escherichia coli was purified to homogeneity using a three-step procedure. The CCEH protein was purified 7.3-fold with a 22.9% yield in overalll activity. The optimal reaction temperature and pH were determined to be $37^{\circ}C$ and pH 8.0, respectively. The addition of 10%(v/v) dimethylsulfoxide as a cosolvent improved the enantioselectivity of CCEH for a batch kinetic resolution of racemic indene oxide.

Electrospray-assisted Preparation of Polymer Microparticles Containing Water-insoluble Bioactive Compounds (전기방사법을 이용한 유용성 생리활성성분을 포함한 고분자 마이크로입자 제조)

  • Hwang, Yoon Kyun;Jeong, Min Kuk;Cho, Sung Yeon;Park, Sung Il;Cho, Eun Chul
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.43 no.1
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    • pp.11-18
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    • 2017
  • An anti-aging compound ethyl (4-(2,3-dihydro-1H-indene-5-carboxyamido) benzoate) rapidly crystallizes in emulsion systems, and a flavonoid 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone bearing a whitening function causes coloration of cosmetic compounds when mixed with metal oxides. In this study, an electrospray method was used to encapsulate water-insoluble bioactive compounds in polymeric microparticles. Poly (methyl methacrylate) and polycaprolactone were used to encapsulate ethyl (4-(2,3-dihydro-1H-indene-5-carboxyamido) benzoate) and 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone, respectively. It was found that polymer concentration, the structure of electrospray nozzle, and compatibility between polymers and bioactive compounds were important factors in the preparation of the particles. Polycaprolactone particles encapsulating 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone was effective in preventing coloration of a cosmetic compound when mixed with metal oxides.

Screening from the Genome Databases: Novel Epoxide Hydrolase from Caulobacter crescentus

  • HWANG SEUNGHA;HYUN HYEJIN;LEE BYOUNGJU;PARK YOUNGSEUB;CHOI CHAYONG;HAN JIN;JOO HYUN
    • Journal of Microbiology and Biotechnology
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    • v.16 no.1
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    • pp.32-36
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    • 2006
  • The genome sequences from several microbes have led to the discovery of numerous open reading frames of unknown functionality. The putative bacterial epoxide hydrolase (EH) genes selected from the genome databases were examined for their activities toward various epoxides. Among the nine open reading frames (ORFs) from four microbial species, the ORF from Caulobacter crescentus showed an epoxide hydrolase activity. The kinetic resolution, using C. crescentus EH (CCEH) of the aryl epoxides such as styrene oxide, could be performed more efficiently than short aliphatic epoxides. The resolution of racemic indene oxide, which could previously be resolved only by fungal epoxide hydrolases, was effectively accomplished by CCEH.