• Title/Summary/Keyword: q-Derivatives

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

  • Son, Dae-Hee;Heo, Jin;Kim, Song-Hyuk;Lee, Seung-Ho;Lee, Gun-Dae;Hong, Seong-Soo;Park, Seong-Soo
    • Applied Chemistry for Engineering
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    • v.21 no.6
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    • pp.638-642
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    • 2010
  • After phthalonitrile derivatives were synthesized by the introduction of phenoxy, 2-naphthoxy or 4-trityl phenoxy group on ${\alpha}$- and ${\beta}$-position, oxovanadyl phthalocyanine (VOPc) derivatives containing electron-rich substituent group at different position were synthesized successfully in this investigation. The chemical structure of samples was determined by the means of $^1H$-NMR, MALDI-TOF mass spectroscopy, and FT-IR spectrometer. Also, optical and chemical properties were determined by the means of UV-Vis spectrometer, X-ray diffractometry, and thermo gravimetry. It was found that the maximum absorbing wavelength of VOPc derivatives ranged from 684 to 726 nm. Also, their solubility and Q-band were enhanced and shifted by the introduction of substitute group, respectively.

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

  • CUI MINGGEN;LIU HUANPING;CHUNG PHIL UNG
    • The Pure and Applied Mathematics
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    • v.12 no.2 s.28
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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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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 (고추역병균에 대한 2-N-benzyl-5-Phenoxy-3-isothiazolone 유도체의 살균활성에 관한 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR))

  • Sung, Nack-Do;Kim, Ki-Hyun
    • The Korean Journal of Pesticide Science
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    • v.6 no.3
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    • pp.209-217
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    • 2002
  • Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

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.
    • Journal of the Korean Chemical Society
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    • v.57 no.6
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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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    • v.34 no.6
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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
    • Journal of the Korean Mathematical Society
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    • v.58 no.4
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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.

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

  • Kim, Seong Jin;An, Ba Ryong;Lee, Gun-Dae;Park, Seong Soo
    • Applied Chemistry for Engineering
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    • v.24 no.3
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    • pp.266-273
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    • 2013
  • Phthalocyanine (Pc), porphyrin, subphthalocyanine, and perylene compounds can be applicable to the fields of optical storage media, organic solar cell, LCD, PDP, semiconductor, and counterfeit money detection etc. In this study, phthalocyanine hybrid derivatives were synthesized by cross-linking perylene, subphthalocyanine, or porphyrin to the main frame of Pc. Absorbtion band of two different wavelengths appeared simultaneously in the phthalocyanine hybrid derivatives. Compared to phthalocyanine, the solubility was enhanced and the degree of Q-band shift was changed according to the kind of substitute compounds. The chemical and optical properties of samples were analyzed using FT-IR, $^1H-NMR$, and UV-Vis spectroscopic techniques.

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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    • v.11 no.3
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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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