• 제목/요약/키워드: q-Derivatives

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${\alpha},{\beta}$-tetra(phenoxy, 2-naphthoxy, 4-tritylphenoxy) Oxovanadium 프탈로시아닌 유도체의 합성 및 특성에 관한 연구 (The Study for Synthesis and Characteristic of ${\alpha},{\beta}$-tetra(phenoxy, 2-naphthoxy, 4-tritylphenoxy) Oxovanadium Phthalocyanine Derivatives)

  • 손대희;허진;김송혁;이승호;이근대;홍성수;박성수
    • 공업화학
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    • 제21권6호
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    • pp.638-642
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    • 2010
  • 본 연구에서는 벤젠고리의 ${\alpha}$${\beta}$-위치에 phenoxy, 2-naphthoxy 또는 4-trityl phenoxy 치환기가 도입된 프탈로니트릴 유도체들을 합성하였고, 이들 중간체들을 이용하여 전자 주게 특성을 가지는 치환기가 도입된 oxovanadium phthalocyanine (VOPc) 유도체들을 성공적으로 합성하였다. 시료들의 구조 특성 및 분자량은 $^1H$-NMR, FT-IR 및 MALDI-TOF형 질량분석기를 이용하여 측정 분석하였고, 광학적 및 화학적 특성은 UV-Vis 분광기, X-ray 회절기 및 열분석기를 이용하여 측정 분석하였다. 합성된 VOPc 유도체들의 최대흡수파장 값은 약 684~726 nm이었으며, 치환기의 도입으로 말미암아 용해도가 향상되거나 Q 밴드가 이동하였다.

SOME BASIC THEOREMS OF CALCULUS ON THE FIELD OF p-ADIC NUMBERS

  • CUI MINGGEN;LIU HUANPING;CHUNG PHIL UNG
    • 한국수학교육학회지시리즈B:순수및응용수학
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    • 제12권2호
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    • pp.125-131
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    • 2005
  • In this paper, we introduce the concept of derivative of the function f : $\mathbb{Q}p{\to} R$ where $\mathbb{Q}p$ is the field of the p-adic numbers and R is the set of real numbers. And some basic theorems on derivatives are given.

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고추역병균에 대한 2-N-benzyl-5-Phenoxy-3-isothiazolone 유도체의 살균활성에 관한 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR) (Comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) on the fungicial activity of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against phytophthora blight fungus)

  • 성낙도;김기현
    • 농약과학회지
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    • 제6권3호
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    • pp.209-217
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    • 2002
  • Metalaxyl 살균제 저항성(RPC)과 감수성(SPC) 고추역병균주(Phytaphthora capsici)들에 대한 2-N-benzyl-5-phenoxy-3-isothiazolone 유도체들의 살균활성을 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR) 방법으로 분석하였다. 두 균주의 살균활성에 대한 PLS 계산결과, 교차 확인값($q^2$)과 Pearson 상관계수($r^2$) (CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ 및 HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$)를 비교한 바, 두 방법 모두 양호한 분석 결과를 나타내었다. 그리고 CoMSIA 등고도로부터 특히, RPC에 대한 선택적인 살균활성 요소는 phenoxy-기의 meta, para(C1-C6) 위치에 소수성이 작고 입체적으로 크지 않은 H-결합 받게가 치환 될 경우이었으며 CoMSIA 보다는 HQSAR 방법이 높은 예측성을 나타내었다.

Designing Hypothesis of 2-Substituted-N-[4-(1-methyl-4,5-diphenyl-1H-imidazole-2-yl)phenyl] Acetamide Analogs as Anticancer Agents: QSAR Approach

  • Bedadurge, Ajay B.;Shaikh, Anwar R.
    • 대한화학회지
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    • 제57권6호
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    • pp.744-754
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    • 2013
  • Quantitative structure-activity relationship (QSAR) analysis for recently synthesized imidazole-(benz)azole and imidazole - piperazine derivatives was studied for their anticancer activities against breast (MCF-7) cell lines. The statistically significant 2D-QSAR models ($r^2=0.8901$; $q^2=0.8130$; F test = 36.4635; $r^2$ se = 0.1696; $q^2$ se = 0.12212; pred_$r^2=0.4229$; pred_$r^2$ se = 0.4606 and $r^2=0.8763$; $q^2=0.7617$; F test = 31.8737; $r^2$ se = 0.1951; $q^2$ se = 0.2708; pred_$r^2=0.4386$; pred_$r^2$ se = 0.3950) were developed using molecular design suite (VLifeMDS 4.2). The study was performed with 18 compounds (data set) using random selection and manual selection methods used for the division of the data set into training and test set. Multiple linear regression (MLR) methodology with stepwise (SW) forward-backward variable selection method was used for building the QSAR models. The results of the 2D-QSAR models were further compared with 3D-QSAR models generated by kNN-MFA, (k-Nearest Neighbor Molecular Field Analysis) investigating the substitutional requirements for the favorable anticancer activity. The results derived may be useful in further designing novel imidazole-(benz)azole and imidazole-piperazine derivatives against breast (MCF-7) cell lines prior to synthesis.

3D-QSAR Studies of Tetraoxanes Derivatives as Antimalarial Agents Using CoMFA and CoMSIA Approaches

  • Liang, Taigang;Ren, Luhui;Li, Qingshan
    • Bulletin of the Korean Chemical Society
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    • 제34권6호
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    • pp.1823-1828
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    • 2013
  • Tetraoxanes (1,2,4,5-tetraoxanes) have been reported to exhibit potent antimalarial activity. In the present study, the three dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed on a series of tetraoxanes derivatives using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) techniques. The best predictive CoMFA model with atom fit alignment resulted in cross-validated coefficient ($q^2$) value of 0.719, non-cross-validated coefficient ($r^2$) value of 0.855 with standard error of estimate (SEE) 0.335. Similarly, the best predictive CoMSIA model was derived with $q^2$ of 0.739, $r^2$ of 0.847 and SEE of 0.344. The generated models were externally validated using test sets. The final QSAR models as well as the information gathered from 3D contour maps should be useful for the design of novel tetraoxanes having improved antimalarial activity.

A NEW CLASSIFICATION OF REAL HYPERSURFACES WITH REEB PARALLEL STRUCTURE JACOBI OPERATOR IN THE COMPLEX QUADRIC

  • Lee, Hyunjin;Suh, Young Jin
    • 대한수학회지
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    • 제58권4호
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    • pp.895-920
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    • 2021
  • In this paper, first we introduce the full expression of the Riemannian curvature tensor of a real hypersurface M in the complex quadric Qm from the equation of Gauss and some important formulas for the structure Jacobi operator Rξ and its derivatives ∇Rξ under the Levi-Civita connection ∇ of M. Next we give a complete classification of Hopf real hypersurfaces with Reeb parallel structure Jacobi operator, ∇ξRξ = 0, in the complex quadric Qm for m ≥ 3. In addition, we also consider a new notion of 𝒞-parallel structure Jacobi operator of M and give a nonexistence theorem for Hopf real hypersurfaces with 𝒞-parallel structure Jacobi operator in Qm, for m ≥ 3.

프탈로시아닌계 하이브리드 유도체들의 합성 및 이의 특성에 관한 연구 (The Syntheses of Phthalocyanine Hybrid Derivatives and Their Properties)

  • 김성진;안바룡;이근대;박성수
    • 공업화학
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    • 제24권3호
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    • pp.266-273
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    • 2013
  • 프탈로시아닌, 포르피린, 서브프탈로시아닌 및 퍼릴렌 화합물들은 광저장매체, 유기 태양전지, LCD, PDP, 반도체, 위폐 감별용 재료 등으로 응용된다. 본 연구에서는 퍼릴렌, 서브프탈로시아닌 및 포르피린을 프탈로시아닌 프레임에 가교 결합시켜서 프탈로시아닌계 하이브리드 유도체를 합성하였다. 합성된 하이브리드 시료들은 두 가지 다른 파장영역을 동시에 흡수하였다. 또한, 프탈로시아닌에 비하여 유도체의 도입으로 인하여 시료의 용해도가 향상되었으며, 치환된 유도체의 종류에 따라 Q-band가 장파장 영역으로 이동하는 정도가 상이하였다. 시료들의 화학적 특성 및 광학적 특성은 FT-IR, $^1H-NMR$, UV-Vis를 이용하여 비교 분석하였다.

Removal and Inactivation of Viruses during Manufacture of a High Purity Antihemophilic Factor VII Concentration from Human Plasma

  • Kim, In-Seop;Choi, Yong-Woon;Lee, Sung-Rae;Woo, Hang-Sang;Lee, Soung-Min
    • Journal of Microbiology and Biotechnology
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    • 제11권3호
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    • pp.497-503
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    • 2001
  • The purpose of this study was to examine the efficacy and mechanism of the cryo-precipitation, solvent/detergent (S/D) treatment, monoclonal anti-FVIIIc antibody (mAb) column chromatography, Q-Sepharose column chromatography, and lyophilization involved in the manufacture of antithemophilic factor VII(GreenMono) from human plasma, in the removal and/or inactivation of blood-borne viruses. A variety of experimental model viruses for human pathogenic viruses, including the bovine viral diarrhoea virus (BVDV), bovine herpes virus (BHV), murine encephalomyocarditis virus (EMCV), and porcine parvovirus (PPV), were all selected for this study. BHV and EMCV were effectively partitioned from a factor VII during the cryo-precipitation with a log reduction factor of 2.83 and 3.24, respectively. S/D treatment using the organic solvent, tri(n-butyl) phosphate (TNBP), and the detergent, Triton X-100, was a robust and effective step in inactivating enveloped viruses. The titers of BHV and BVDV were reduced from the initial titer of 8.85 and $7.89{log_10} {TCID_50}$, respectively, reaching undetectable levels within 1 min of the S/D treatment. The mAb chromatography was the most effective step for removing nonenveloped viruses, EMCV and PPV, with the log reduction factors of 4.86 and 3.72, respectively. Q-Sepharose chromatography showed a significant efficacy for partitioning BHV, BVDV, EMCV, and PPV with the log reduction the log reduction factors of 2.32, 2.49, 2.60, and 1.33 respectively. Lyophilization was an effective step in inactivating g nonenveloped viruses rather than enveloped viruses, where the log reduction factors of BHV, BVDV, DMCV, and PPV were 1.41, 1.79, 4.76, and 2.05, respectively. The cumulative log reduction factors of BHV, BVDV, EMCV, and PPV were ${\geqq}$11.12, ${\geqq}$7.88, 15.46, and 7.10, respectively. These results indicate that the production process for GreenMono has a sufficient virus-reducing capacity to achieve a high margin of the virus safety.

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