Search results for " Spectra"
showing 10 items of 709 documents
Peptide synthesis with 5-amino-1-methyl-1H-[1,2,4]triazole-3-carboxylic acid
2007
Abstract In the search for the peptide synthesis of new potential lexitropsins, starting with methyl 5‐amino‐1‐methyl‐1H‐[1,2,4]triazole‐3‐carboxylate 1a, we synthesized the chloroacetyl derivative of 2a, which was hydrolyzed to acid 2b and ammonolyzed to the peptide 2c. A more effective route was the use of (t‐butoxycarbonyl)glycyl‐benzotriazolide 3 to the acylation 1a, which leads the N/C protected peptide 4. This peptide was selectively N‐deprotected to be the useful segment 5 for further peptide syntheses to the N‐terminus. It was also C‐deprotected, that is hydrolyzed to give peptide 2c for further C‐extension. To the best of our knowledge, this is the first peptide that is a derivativ…
Insights into catanionic vesicles thermal transition by NMR spectroscopy
2012
Oppositely charged ionic surfactants can self-assemble into hollow structures, called catanionic vesicles, where the anionic-cationic surfactant pair assumes a double-tailed zwitterionic attitude. In the present work, multilamellar- to-unilamellar thermal transition of a mixed aqueous system of sodium dodecyl sulphate (SDS) and cetyl trimethyl ammonium bromide (CTAB), with a slight excess of the anionic one, has been investigated by 1H, 2H, 14N NMR spectra and 23Na transverse relaxation measurements. It has been inferred that an increase of the temperature enhances the SDS counterion dissociation, which can be considered as one of the driving forces of the mentioned transition. Moreover, in…
Iron(II) Complexes with Scorpiand-Like Macrocyclic Polyamines: Kinetico-Mechanistic Aspects of Complex Formation and Oxidative Dehydrogenation of Coo…
2017
The Fe(II) coordination chemistry of a pyridinophane tren-derived scorpiand type ligand containing a pyridine ring in the pendant arm is explored by potentiometry, X-ray, NMR, and kinetics methods. Equilibrium studies in water show the formation of a stable [FeL]2+ complex that converts to monoprotonated and monohydroxylated species when the pH is changed. A [Fe(H–2L)]2+ complex containing an hexacoordinated dehydrogenated ligand has been isolated, and its crystal structure shows the formation of an imine bond involving the aliphatic nitrogen of the pendant arm. This complex is low spin Fe(II) both in the solid state and in solution, as revealed by the Fe–N bond lengths and by the NMR spect…
Chemical Constituents of Urospermum picroides
1992
Seven phenolic compounds were isolated from the aerial parts of U. picroides. They were identified by UV spectra, TLC and HPLC-DAD as luteolin, luteolin-7-glucoside, quercetin, quercetin-3-galactoside, kaempferol-3-galactoside, chlorogenic and isochlorogenic acids. Other phenolics were characterized by HPLC-DAD analysis: gallic, protocatechuic, caffeic, ferulic and isoferulic acids, quercetin-3-glucoside and luteolin-4′-glucoside.
Historical and current progress in understanding the origin and structure of humic substances
2010
Research into humic substances (HS) has focused selectively on the search for aromatic structures. All aromatic compounds are regarded as eligible HS constituents, whereas aliphatic, polysaccharide structural constituents are considered non-HS. Wet chemical methods for analysing HS produce 2–5% aromatic compounds from the original starting material. Only those compounds in the hydrophobic extraction phases are studied carefully. Compounds in the hydrophilic extraction phases, containing mainly aliphatics, are discarded. Solid-state NMR spectra from HS show 30–40% of carbon–carbon unsaturation, which is selectively interpreted as ‘aromatic’. No recognition is given to the fact that NMR spect…
Chemical characterization of peat fulvic acid fractions
1993
Abstract Milled peat fulvic acid (FA) preparation was fractionated by XAD-8 and conventional extraction methods. The fractions were further analyzed by IR and NMR and subjected to cupric oxide (CuO) oxidation. Carbohydrates of polydisperse FA were mostly not retained in the XAD-8 fractionation. The intensity of the signals due to double bonded carbons was much greater in the 13 C and proton NMR spectrum of the XAD-8 retained fraction than in the spectra of the XAD-8 non-retained or XAD-8 non-treated fractions. In CuO oxidation the main products of all FA fractions were 4-hydroxybenzaldehyde and 4-hydroxyacetophenone, both indicators of 4-hydroxyphenylpropane building blocks. Their concentra…
Experimental and theoretical studies on corals. I. Toward understanding the origin of color in precious red corals from Raman and IR spectroscopies a…
2009
An attempt to explain the origin of the vivid red color in precious pink and red corals was undertaken. Raman and IR spectroscopies were applied to characterize white, pink and red corals. The position of the Raman signal near 1500 cm −1 of some corals and pearls was associated by several authors with the presence of the mixture of all-trans-polyenic pigments, containing 6 – 16 conjugated C C bonds or β-carotenoids. This hypothesis was examined theoretically by performing extensive B3LYP-DFT calculations of vibrational spectra of the model polyenic compounds. The B3LYP/6-311++G ∗∗ predicted positions of the dominating Raman mode depend on the number of C Cu nits (Cn parameter) and can be ac…
Structure and properties of N-methyl-N-(4-pyridyl)-nitramine and 1,4-dihydro-1-methyl-4-nitriminopyridine
2002
Abstract The molecular structure and spectral properties of N -methyl- N -(4-pyridyl)-nitramine ( 1 ) and 1,4-dihydro-1-methyl-4-nitriminopyridine ( 3 ) were investigated by the X-ray diffraction, FTIR, nuclear magnetic resonance (NMR) methods and DFT theoretical calculations. N -methyl- N -(4-pyridyl)-nitramine ( 1 ) crystallises in the orthorhombic Pbca space group. It is composed of two planar fragments; nitramino (N 2 O 2 ) group and the pirydyl ring. These two groups are twisted at about 70° with respect to each other, along the Ar–N bond. On the contrary, in compound 3 , they are coplanar to each other. Twist of the nitramino group in 1 with respect to the pirydyl ring leads to a sign…
Interaction Mechanisms between guaiacols and lignin: the conjugated double bond makes the difference.
2011
Lignin is considered to be responsible for a selective sorption of phenolic compounds on wood. In order to investigate the mechanisms involved, two similar guaiacol compounds--only differing by the nature of the para side chain--were adsorbed on oak wood extracted lignin. Vapor sorption-desorption isotherms indicated that about 3.5 wt % of 4-vinylguaiacol is adsorbed near saturation whereas it is only 0.8% for 4-ethylguaiacol. For both compounds, the isotherms displayed a hysteresis though significantly greater for 4-vinylguaiacol. Analyses of the hydroxyl stretching region of FTIR spectra of the lignin/4-ethylguaiacol and lignin/4-vinylguaiacol complexes indicated that physisorption via hy…
Photo-fragmentation of alkyl phosphates in the gas-phase
2018
Abstract Alkyl phosphates are experiencing an ever increasing use due to the current arising of new applications. This implies their increasing presence in the environment so their stability and reactivity under high-energy photons, which are still unknown, need to be clarified. In this study, a mass spectrometric investigation of the ionization and fragmentation processes of four representative alkyl phosphates (dibutyl, tributyl, bis-2-ethylhexyl, and tris-2-ethylhexyl phosphate) induced by vacuum ultraviolet (VUV) radiation has been carried out. The experimental data show that fragmentation occurs through a stepwise cleavage of the bonds between the phosphate group and the alkyl chains l…