• Title/Summary/Keyword: $pK_a$ values and UV-vis spectra

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UV-Vis Spectra of N, N'-Bis(4′-Aminophenyl)-1,4-quinonenediimine Doped With $H_{4}SiW_{12}O_{40}$

  • Jian Gong;Cui, Xiu-Jun;Chen, Ya-Guang;Xie, Zhong-Wei;Qu, Lun-Yu
    • Macromolecular Research
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    • v.12 no.1
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    • pp.22-25
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    • 2004
  • We have synthesized aniline oligomer composites by using heteropoly acid (H$_4$SiW$_{12}$O$_{40}$ ) as a dopant. The doping and dedoping processes of the aniline oligomer composites were investigated with the aid of UV- Vis spectra. The bands of the aniline oligomer at 572 nm weakened or disappeared, and the bands at 268, 412, and 771 nm appeared, after the aniline oligomer was doped. When the solution of the aniline oligomer doped with H$_4$SiW$_{12}$O$_{40}$ was kept at lower values of pH, the aniline oligomer could not be dedoped by dilution. The turning point of doping and dedoping occurred at pH 5.5. The band at 771 nm shifted towards longer wavelengths when the aniline oligomer composites were synthesized using acetone as the solvent. This observation indicates that the molecular chain became stretched. In addition, we also investigated the change of the electronic absorption spectra of the composites with respect to the time laid up.id up.

Synthesis, Crystal Structure, Spectra Characterization and DFT Studies on a Di-Cycle Pyrazoline Derivative

  • Song, Jie;Zhao, Pu Su;Zhang, Wei Guang
    • Bulletin of the Korean Chemical Society
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    • v.31 no.7
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    • pp.1875-1880
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    • 2010
  • A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

Experimental and Theoretical Investigations of Spectral, Tautomerism and Acid-Base Properties of Schiff Bases Derived from Some Amino Acids

  • Ebead, Y.H.;Salman, H.M.A.;Abdellah, M.A.
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.850-858
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    • 2010
  • The electronic absorption spectra of five Schiff bases derived from 2-hydroxy-1-naphthaldehyde with glycine, alanine, leucine, valine and phenylalanine have been measured in various solvents. The observed bands were assigned to the proper electronic transitions and compared with the predicted transitions at the semiempirical level of theory. The calculated equilibrium constants are in agreement with the experimental results, predicting the existence of all studied compounds predominantly or completely in keto-imine tautomerism. On the other hand, a correlation between $\nu\;(cm^{-1})$ (main frequency of each compound) and the well known solvent parameters $E_T$ (30), $\varepsilon_T$, $\pi^*$ been made. Furthermore, the acid dissociation constants, $pK_a$, were determined by using three different spectrophotometric methods.

Gold Nanoparticles Enhance the Anticancer Activity of Gallic Acid against Cholangiocarcinoma Cell Lines

  • Rattanata, Narintorn;Daduang, Sakda;Wongwattanakul, Molin;Leelayuwat, Chanvit;Limpaiboon, Temduang;Lekphrom, Ratsami;Sandee, Alisa;Boonsiri, Patcharee;Chio-Srichan, Sirinart;Daduang, Jureerut
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.16
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    • pp.7143-7147
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    • 2015
  • Gold nanoparticles (GNPs) were conjugated with gallic acid (GA) at various concentrations between 30 and $150{\mu}M$ and characterized using transmission electron microscopy (TEM) and UV-Vis spectroscopy (UV-VIS). The anticancer activities of the gallic acid-stabilized gold nanoparticles against well-differentiated (M213) and moderately differentiated (M214) adenocarcinomas were then determined using a neutral red assay. The GA mechanism of action was evaluated using Fourier transform infrared (FTIR) microspectroscopy. Distinctive features of the FTIR spectra between the control and GA-treated cells were confirmed by principal component analysis (PCA). The surface plasmon resonance spectra of the GNPs had a maximum absorption at 520 nm, whereas GNPs-GA shifted the maximum absorption values. In an in vitro study, the complexed GNPs-GA had an increased ability to inhibit the proliferation of cancer cells that was statistically significant (P<0.0001) in both M213 and M214 cells compared to GA alone, indicating that the anticancer activity of GA can be improved by conjugation with GNPs. Moreover, PCA revealed that exposure of the tested cells to GA resulted in significant changes in their cell membrane lipids and fatty acids, which may enhance the efficacy of this anticancer activity regarding apoptosis pathways.

Thermal Stability of the Major Color Component, Cyanidin 3-glucoside, from a Korean Pigmented Rice Variety in Aqueous Solution (한국산 유색미의 주요성분인 Cyanidin 3-glucoside의 수용액에서의 열안정성)

  • Jo, Man-Ho;Yoon, Hye-Hyun;Hahn, Tae-Ryong
    • Applied Biological Chemistry
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    • v.39 no.3
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    • pp.245-248
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    • 1996
  • Thermal stability of the major color component, cyanidin 3-glucoside, isolated from Korean pigmented rice (Oryza sativa var. Suwon 415) were investigated to explore possible application of value-added natural colors as food additives. The anthocyanin showed red and blue color with maximum absorption peaks at 511 nm and 572 nm in acidic (pH 2.0) and alkaline (pH 9.0) buffer solutions, respectively, and the thermal degradation reactions were carried out with different temperature ranges at $50{\sim}95^{\circ}C$. Degree of degradation was determined with UV/Vis spectra which indicate characteristic absorption patterns with sharp isosbestic points at 350 nm (pH 2.0), and 275, 310, and 405 nm (pH 9.0). Thus the reaction follows simple first-order kinetics. The anthocyanin was very stable against heat at acidic pH and relatively stable at alkaline pH with half-life values of 50.3 hr and 0.6 hr at $70^{\circ}C$, respectively. The activation energies and Arrhenius frequency factors of the pigment were 26.9 kcal $mol^{-1}\;and\;6.0{\times}10^{11}\;s^{-1}$, at pH 2.0, and 15.2 kcal $mol^{-1}\;and\;1.4{\times}10^{6}\;s^{-1}$, pH 9.0, and respectively.

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Influence of the pH and Enantiomer on the Antioxidant Activity of Maillard Reaction Mixture Solution in the Model Systems

  • Kim, Ji-Sang
    • Preventive Nutrition and Food Science
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    • v.15 no.4
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    • pp.287-296
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    • 2010
  • This study was designed to investigate the influence of the pH and enantiomer on the antioxidant activity of Maillard reaction mixture solution in model systems. The loss of glucose in MRPs did not show different characteristics for the different amino acid enantiomers; however, the concentration of glucose decreased as the pH levels increased. The enolization of sugars was observed in all MRP samples according to increase of pH levels. In addition, D-amino acids were detected in L-amino acid systems and L-amino acids could also be observed in D-amino acid systems. Formation of the isomer was the highest in the Glc/L-Lys system. The browning development increased as pH levels increased; however, browning development did not show different characteristics based on the use of L- versus D-isomers of the same amino acid. The L- and D-isomers show different absorption values in the UV-Vis spectra, but the absorption patterns display a similar shape. The antioxidant activities of MRPs derived from the Glc/Gly, Glc/L-Asn and Glc/D-Asn systems at pH 7.0 were greater compared to those of pH 4.0 and pH 10.0. The antioxidant activities of MRPs derived from the Glc/L-Lys and Glc/D-Lys systems decreased as the pH increased. In addition, the results show that the MRPs derived from the D-isomers have similar antioxidant activities as those from L-isomer. Therefore, the MRPs have the different antioxidant activities on the basis of the pH level, but not on the basis of different amino acid enantiomers.

Synthesis, Potentiometric, Spectral Characterization and Microbial Studies of Transition Metal Complexes with Tridentate Ligand (세자리 리간드의 전이금속 착물에 대한 합성과 전위차 및 분광학적 확인 그리고 미생물학적 연구)

  • Jadhav, S.M.;Munde, A.S.;Shankarwar, S.G.;Patharkar, V.R.;Shelke, V.A.;Chondhekar, T.K.
    • Journal of the Korean Chemical Society
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    • v.54 no.5
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    • pp.515-522
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    • 2010
  • A relation between antimicrobial activities and the formation constants of solid complexes of Cu(II), Ni(II), Co(II), Mn(II) and Fe(III) with tridentate Schiff base ligand, 4-hydroxy-3(1-{2-(benzylideneamino)-phenylimino}-ethyl)-6-methyl-2Hpyran-2-one (HL) derived from o-phenylene diamines, dehydroacetic acid (DHA) and p-chloro benzaldehyde have been studied. The ligand and metal complexes were characterized by elemental analysis, conductivity, magnetic susceptibility, thermal analysis, X-ray diffraction, IR, $^1H$-NMR, UV-vis and mass spectra. From the analytical data, the stiochiometry of the complexes was found to be 1:2 (metal:ligand) with octahedral geometry. The molar conductance values suggest the nonelectrolytic nature of metal complexes. The X-ray diffraction data suggests monoclinic crystal system for Ni(II) and orthorhombic crystal system for Cu(II) and Co(II) complexes. The IR spectral data suggest that the ligand behaves as tridentate ligand with ONN donor atoms sequence towards central metal ion. Thermal behavior (TG/DTA) and kinetic parameters calculated by Coats-Redfern method suggests more ordered activated state in complex formation. The protonation constants of the complexes were determined potentiometrically in THF:water (60:40) medium at $25^{\circ}C$ and ionic strength ${\mu}=0.1\;M$ ($NaClO_4$). Antibacterial activities in vitro were performed against Staphylococcus aureu and Escherichia coli. Antifungal activities were studied against Aspergillus Niger and Trichoderma. The effect of the metal ions and stabilities of complexes on antimicrobial activities are discussed.

Synthesis, Spectral and Thermal Studies of Lanthanide(III) Complexes of Phenylbutazone (Phenylbutazone의 란탄(III) 착물에 대한 합성, 스펙트럼 및 열적 연구)

  • Anoop, M.R.;Binil, P.S.;Jisha, K.R.;Suma, S.;Sudarsanakumar, M.R.
    • Journal of the Korean Chemical Society
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    • v.55 no.4
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    • pp.612-619
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    • 2011
  • Lanthanide(III) complexes of 1,2-diphenyl-4-butyl-3,5-pyrazolidinedione(phenylbutazone, PB) have been synthesized and characterized by elemental analyses, molar conductance measurements, IR, UV-Vis. and NMR spectra. The spectral data reveal that the PB acts as a bidentate and mono-ionic ligand coordinating through both the carbonyl oxygens of the pyrazolidinedione ring. The molar conductance data suggest that the complexes are non-electrolytes. The thermal behaviour of the complexes was studied by TG and DTG in air atmosphere and the results provide information about dehydration, thermal stability and thermal decomposition. The final products are found to be the corresponding metal oxides. The thermodynamic parameters and kinetic parameters were evaluated for the dehydration and decomposition stages. The negative entropy values of the decomposition stages indicate that the activated complexes have a more ordered structure than the reactants and that the reactions are slower than normal. Based on these studies, the complexes have been formulated as $[Ln(PB)_3]{\cdot}5H_2O$(Ln=La and Ce) and $[Ln(PB)_3(H_2O)_2]{\cdot}2H_2O$(Ln=Pr, Nd and Sm).

Research on the Colorants Extraction from Black Cowpea Seed Coats and their Storage Stability (검정동부 종피에서의 색소 추출과 추출색소의 저장 안정성 연구)

  • Jung, Yang Sook;Choi, Kyung-Jin;Kang, Hang-Won;Bae, Do-Gyu
    • Korean Journal of Plant Resources
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    • v.24 no.5
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    • pp.499-506
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    • 2011
  • The purpose of this study was to search available resources for new natural colorants. The extraction efficiency of colorants from black cowpea seed coats and their storage stability were examined according to the various extraction and storage conditions in this study. The results obtained were as follows: the optical density (O.D.) values of the extracted colorants increased with increasing extract time and temperature. Extraction at pH 4 was seen to be the most efficient among the various pH conditions. The color of the extract solutions were seen to change with variation in pH, for example, anthocyanins display color changes from orange-red, to orange, to blue, to greenish-blue at pH 3.0, 4.0-6.0, 7.0 and 9.0-11.0, respectively. The color changes of the extract solutions over various storage periods were determined using UV/Vis spectra these color changes indicate characteristic absorption patterns and a discoloration index which indicates the rate of absorbance (532 nm/454 nm). Methionine addition influenced the storage stability of the colorant solutions and this addition led to better storage stability than non-addition. In paper chromatography of juice extracted colorant, a long stripe was seen on development. Among three colorants obtained via paper chromatography according to development rate, at least two different colorants were mixed indicated by the appearance, or not, of a shoulder at 552 nm depending on the extent of development.

Chromaticity and Brown Pigment Patterns of Soy Sauce and UHYUKJANG, Korean Traditional Fermented Soy Sauce (간장과 어육장의 색도 및 갈색색소 패턴)

  • Kim, Ji-Sang;Moon, Gap-Soon;Lee, Young-Soon
    • Korean journal of food and cookery science
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    • v.22 no.5 s.95
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    • pp.642-649
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    • 2006
  • The browning of soy sauce is caused by the reaction of amino-carbonyl between amino-compounds and reducing sugar. Only a few studies have investigated the formation of melanoidins in UHYUKJANG. The objectives of this study were to analyze the brown pigment of UHYUKJANG and to investigate the characteristics of UHYUKJANG in comparison with soy sauce and model melanoidins. The samples were ripened for 0, 60, 120, 180, 240, 300 and 360 days at 4$^{\circ}C$ and 20$^{\circ}C$. The pH, absorbance at 420 nm absorbance ratio of 400 to 500 nm and UV-VIS spectra as an index of color intensity were measured. Additionally, L, a and b values of the samples and the amount of 3-Deoxyglucosone(3DG) in the samples were measured. The pH of both soy sauce (from 6.26 to 5.52) and UHYUKJANG (from 6.13 to 5.11) rapidly decreased during the first 60 days of aging and was also affected by storage temperature. The absorbance of samples at 420 nm increased during the aging process, reaching its maximum after 180 days, regardless of sample and temperature. On the other hand, the intensity of brown color in the samples increased with increasing aging period according to the results of absorbance ratio (soy sauce: 1.37 to 5.29, UHYUKJANG: 1.37 to 5.02). The L value of soy sauce increased during the aging process and was maximized after 240 days at 4$^{\circ}C$ and 180 days at 20$^{\circ}C$, but decreased thereafter. There was no significant difference in L value of UHYUKJANG, regardless of aging period and temperature. On the other hand, the b value did not reveal any significant change during aging, but the a value increased until 120 days of aging in the other samples except for UHYUKJANG at 20$^{\circ}C$. The average amount of 3DG separated from soy sauce was 5.65 mg%, and from UHYUKJANG was 3.74 mg%. These results indicated that the browning of UHYUKJANG was also caused by melanoidins produced by the reaction of amino-carbonyl during the fermentation process.