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showing 10 items of 1695 documents
B-DNA Structure and Stability as Function of Nucleic Acid Composition. Dispersion-Corrected DFT Study of Dinucleoside-Monophosphate Single and Double…
2013
actions of the sugar-phosphate skeleton with water; (6) hydrophobic interactions of the DNA cylindrical core, made up by the hydrogen-bonded and stacked nitrogen bases, with the water solvent. Recently, there has been increasing effort in developing and applying quantum chemical methods able to reproduce the structure of native B-DNA and to correctly describe the energy involved in the intrastrand and interstrand noncovalent interactions between the nucleotide monomers. This topic has been approached by both wave function methods and density functional theory. [2] Water solvent and sodium counterions also play an important role in the formation and relative stabilization of the double-helic…
Stereoselective synthesis of perillaldehyde-based chiral β-amino acid derivatives through conjugate addition of lithium amides.
2014
The Michael addition of dibenzylamine to (+)-tert-butyl perillate (3) and to (+)-tert-butyl phellandrate (6), derived from (S)-(−)-perillaldehyde (1), resulted in diastereomeric β-amino esters 7A–D in a moderately stereospecific reaction in a ratio of 76:17:6:1. After separation of the diastereoisomers, the major product, cis isomer 7A, was quantitatively isomerized to the minor component, trans-amino ester 7D. All four isomers were transformed to the corresponding β-amino acids 10A–D, which are promising building blocks for the synthesis of β-peptides and 1,3-heterocycles in three steps. The steric effects of the isopropyl group at position 4 and of the α-methyl substituent of (R)-N-benzyl…
Screening pretreatment methods to enhance thermophilic anaerobic digestion of pulp and paper mill wastewater treatment secondary sludge
2013
Abstract The effect of hydrothermal (150 °C for 10 min and 70 °C for 40 min), enzymatic (Accelerase 1500, 0.07 g/g volatile solids (VS)), ultrasound (45 kHz for 30 min) and chemical pretreatments (HNO3 at pH 3 and NaOH at pH 12) alone or in combination on the chemical composition and methane yield of the pulp and paper mill secondary sludge was studied in batch assays at 55 °C. In total, 12 different pretreatment combinations were compared. Chemical analyses showed that all pretreatments except for HNO3 and ultrasound pretreatments improved the organic matter solubilization. Among the studied pretreatments, hydrothermal (150 °C, 10 min) pretreatment alone or in combination with enzymatic an…
Bleaching of color of kraft pulp mill effluents and natural organic matter in lakes
2002
In situ changes in the color of lake water and biologically treated kraft pulp mill effluents mixed in lake water were examined in three lakes. In 1.7 m3 enclosures, the color (400700 g Pt·m3) of the mixture of pulp mill effluent and lake water remained similar for 4 months in darkness, whereas exposure to solar radiation resulted in 1742% bleaching of color. During the summer stratification of a humic lake, the color (160 g Pt·m3) of hypolimnetic water remained similar to that found during spring turnover, but the color of epilimnion decreased 13%. The measured rates of photochemical bleaching of color by solar radiation could explain the decrease of epilimnetic color. Attenuation of …
Conformation of dehydropentapeptides containing four achiral amino acid residues - controlling the role of L-valine.
2014
Structural studies of pentapeptides containing an achiral block, built from two dehydroamino acid residues (ΔZPhe and ΔAla) and two glycines, as well as one chiral L-Val residue were performed using NMR spectroscopy. The key role of the L-Val residue in the generation of the secondary structure of peptides is discussed. The obtained results suggest that the strongest influence on the conformation of peptides arises from a valine residue inserted at the C-terminal position. The most ordered conformation was found for peptide Boc-Gly-ΔAla-Gly-ΔZPhe-Val-OMe (3), which adopts a right-handed helical conformation.
Synthesis of 4-amino-5-fluoropyrimidines and 5-amino-4-fluoropyrazoles from a β-fluoroenolate salt
2020
A synthesis of fluorinated pyrimidines under mild conditions from amidine hydrochlorides and the recently described potassium 2-cyano-2-fluoroethenolate was developed. A broad substrate scope was tested and mostly excellent yields were obtained. The synthesis of fluorinated aminopyrazoles from the same fluorinated precursor could be demonstrated but proceeded with lower efficiency.
Multivariate correlation between13C and31P NMR spectral data on dissolved lignin and the combustion properties of kraft black liquor
1999
Characterization of totally chlorine-free effluents from kraft pulp bleaching III
1999
Abstract Chemical changes in the dissolved high-molecular-mass material from silver birch (Betula pendula) kraft pulp during the oxygen–alkali delignification stage (O) and the subsequent totally chlorine-free (TCF) bleaching sequence (X–Z–EOP–AZ–EP–S) were investigated by analytical pyrolysis (pyrolysis–gas chromatography/mass-sensitive detector (Py–GC/MSD)). In addition, the pyrolysis data were subjected to chemometric analysis, resulting in a rapid method for determining with reasonable accuracy, for example, the mass proportion of carbohydrates and lignin in the effluents from each of the treatment stages. The method was calibrated by chemical analysis on the same effluents.
Carbon Dioxide as Chemical Feedstock. Edited by Michele Aresta.
2010
Soda-AQ pulping of reed canary grass
2001
Abstract Delignification of reed canary grass (Phalaris arundinacea L.) was carried out by conventional soda-anthraquinone (AQ) pulping under varying conditions selected according to an orthogonal experimental design with four factors (cooking parameters) at three levels each L9 (34). The influence of these four parameters, i.e. effective alkali, EA (12, 15, and 18% on oven dried (o.d.) reed, as NaOH), maximum temperature (145, 155, and 165°C), time to maximum temperature (70, 90, and 110 min), and time at maximum temperature (0, 15, and 30 min) on the pulp properties (yield, kappa number, and viscosity) was studied. Results indicated that, with respect to delignification, EA was the most i…