Multimode-ultrasound and microwave assisted natural ternary deep eutectic solvent sequential pretreatments for corn straw biomass deconstruction under mild conditions

Mild and effective pretreatments are essential to deconstruct lignocellulosic biomass so as to reuse cellulose content for value-added products. In this study, sequential multimode-ultrasound and microwave with natural ternary deep eutectic solvent (NATDES) pretreatments were used to deconstruct corn straw and optimized factors such as NATDES, ultrasonic, and microwave parameters. Results indicated that the ultrasound-NATDES or microwave-NATDES pretreatment could remove 37.86% and 52.36% lignin, respectively. When using sequential multimode-ultrasound and microwave assisted NATDES pretreatment, the delignification efficiency increased to 61.50%, and the cellulose content increased from 34.70% to 76.08%. In addition, the delignification of sequential multimode-ultrasound and microwave assisted NATDES pretreatment (under the mild conditions of microwave heating at 60 °C and 60 min) increased to 57.39%, and the cellulose content increased to 59.98%, too. This highlighted the effect of the combined ultrasound and microwave technology. Finally, the microstructural changes of mercury intrusion porosimeters, scanning electron microscopy, thermogravimetric, X-ray diffraction and Fourier transform mid-infrared spectroscopy were conducted to confirm the effectiveness of this method to deconstruct corn straw. A mechanism of the deconstruction of corn straw biomass in NATDES with the assistance of the sequential multimode-ultrasound and microwave heating was proposed. This research could open a window for future use of biomass energy by deconstructing lignocellulosic biomasses using environmentally friendly pretreatment methods.     

Morphologies of a spherical bimodal polyelectrolyte brush induced by polydispersity and solvent selectivity

It is commonly realized that polydispersity may significantly affect the surface modification properties of polymer brush systems. In light of this, we systematically study morphologies of bidisperse polyelectrolyte brush grafted onto a spherical nanocolloid in the presence of trivalent counterions using molecular dynamics simulations. Via varying polydispersity, grafting density, and solvent selectivity, the effects of electrostatic correlation and excluded volume are focused, and rich phase behaviors of binary mixed polyelectrolyte brush are predicted, including a variety of pinned-patch morphologies at low grafting density and micelle-like structures at high grafting density. To pinpoint the mechanism of surface structure formation, the shape factor of two species of polyelectrolyte chains and the pair correlation function between monomers from different polyelectrolyte ligands are analyzed carefully. Also, electrostatic correlations, manifested as the bridging through trivalent counterions, are examined by identifying four states of trivalent counterions. Our simulation results may be useful for designing smart stimuli-responsive materials based on mixed polyelectrolyte coated surfaces.     

Force-field dependence of the conformational properties of α,ω-dimethoxypolyethylene glycol

A molecular dynamics (MD) study of α,ω-dimethoxypolyethylene glycol has been carried out under various conditions with respect to solvent composition, ionic strength, chain length, force field and temperature. A previous MD study on a 15-mer of polyethyleneglycol (PEG) suggested a helical equilibrium structure that was stabilised by hydrogen bonding and bridging water molecules. Experiments show that PEG is highly soluble in water, and indicate that clustering is not favoured. In the present study using different force fields, the GROMOS force fields 45A3 and 53A6, a variation on the latter 53A6_OE, and a force field by Smith et al. produced different results. For the GROMOS force fields 45A3 and 53A6 no helical structure was found, but formation of more or less compact random coils in aqueous solution due to hydrophobic interactions was observed. For the other two force fields used, α,ω-dimethoxypolyethylene glycol stayed flexible and more or less elongated in aqueous solution, more in agreement with experimental observations and the previous MD study.     

Experimental and molecular modeling investigation of (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide

The Schiff base compound (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis spectroscopies, and single-crystal X-ray diffraction technique. In addition, quantum chemical calculations employing density functional theory (DFT) method with the 6–311++G(d,p) basis set were performed to study the molecular, spectroscopic and some electronic structure properties of the title compound, and the results were compared with the experimental findings. There exists a good correlation between experimental and theoretical data. Enol-imine/keto-amine tautomerization mechanism was investigated in the gas phase and in solution phase using the polarizable continuum model (PCM) approximation. The energetic and thermodynamic parameters of the enol-imine?→?keto-amine transfer process show that the single proton exchange is thermodynamically unfavored both in the gas phase and in solution phase. However, the reverse reaction seems to be feasible with a low barrier height and is supported by negative values in enthalpy and free energy changes both in the gas phase and in solution phase. The solvent effect is found to be sizable with increasing polarity of the solvents for the reverse reaction. The predicted nonlinear optical properties of the compound are found to be much greater than those of urea.     

Interatomic potentials in transition metals

The different roles played by the valence s and d electrons in determining the bulk properties of pure transition metals is described. In the light of this the expected behaviour of the inert gas-metal and metal-metal interatomic potentials is discussed.     

Beiträge zur Mikrobestimmung von Kohlenstoff-14 und Tritium

Die Verwendung Con¹⁴C und Tritium zur Lösung kinetischer und analylischer Probleme erfordert zuverlässige Analysenmethoden. Es wird iiber die Herstellimg von Meβgasen durch Naβcerbrennung mil Chromsäure-Jodsäure-Gemischen, Trockenverbrennung in Gegenwart Con Katalysatoren wie Kupferoxid, Kobaltoxid und Zersetzungsprodukte des Silberpermanganats und durch Umsetziingentm geschlossenen Rohr berichtet. Die Aktivitätsniessungen erfolgten auf cerschiedene IVeise. Hier werden besonders die Ergebnisse diskutiert, die durch Ionisationskammermessungen erzielt wurden. Schlieβlich werden einfache Apparaturen zur routinemäβigen Durchfiihrung von Mikroanalysen beschrieben.     

2. Mitteilung: Tetraphenylarsoniumverbindungen und Pentaphenylarsen

Es wurde ein Trennverfahren ausgeabeitet, das es gestattet, die Aktivitätsausbeuten für Mono-, Di- und Triphenylarsenverbindungen, für Tetraphenylarsoniumverbindungen und für Pentaphenylarsen sowie für nicht organisch gebundenes Arsen in neutronenbestrahlten Tetraphenylarsoniumver erbindungen und in Pentaphenylarsen zu bestimmen. Als Trennmethoden werden Extraktion, Ionenaustauwsch und Al₂O₃-Chromatographic benutzt. Zur Reinigung und Ausbeutebestimmung von Di- und Triphenylarsenprodukten sowie von Tetraphenylarsonimverbindungen finden Kristallisations- bzw. Fällungsreaktionen Anwendung unter Ausnutzung des Prinzips der Isotopenverdünnungsanalyse.     

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Elementveruninigungen auch im Spurenbereich (ppm, ppb) becinflussen die Qualität von Halbleiterselen. Bei der Bestimmung interssierender Elemente (Ag, As, Au, Cd, Ga, Sb, Tl) mittles NAA ist mich der Neutronenbestrahlung im Kernreaktor wegen der Störung dutch die entstehende hohe Matrixaktiviät, der Anwesenheit reiner Betastrahler oder infolge Linienüberlagerung im Gammaspektrum im allgemeinen Keine instrumente NAA möglich. Daher müssen nache Zugabe inaktiver Träger und der Matrixabtrennung die interessierenden E-emente durch konventionel-e chemisch-analytische Trennverfahren (Extraktion, Fällung, Ionenaustausch) isoliert warden.     

Ultrasound-assisted extraction of phenolic compounds from Laurus nobilis L. and their antioxidant activity

Bay leaves (BL) (Laurus nobilis L., Family: Laureceae) are traditionally used to treat some symptoms of gastrointestinal problems, such as epigastric bloating, impaired digestion, eructing and flatulence. These biological properties are mainly attributed to its phenolic compounds. In this paper, ultrasound-assisted extraction of phenolic compounds from Laurus nobilis L. (Laureceae) was studied.Effects of several experimental factors, such as sonication time, solid/liquid ratio and concentration of solvent on extraction of phenolic compounds were evaluated through a randomized complete block design with factorial treatment arrangement (3³). The best extraction conditions were: 1 g plant sample with 12 mL of 35% ethanol, for 40 min, obtaining a yield of phenolic compounds of 17.32 ± 1.52 mg g^?1 of plant. In addition, free radical-scavenging potential of DPPH and lipid oxidation inhibition, by linoleic acid peroxidation of the selected extract was measured in order to evidence their antioxidant properties. Results indicated that high amounts of phenolic compounds can be extracted from L. nobilis by ultrasound-assisted extraction technology.     

Mixed alkali metal selenate proton conductors: Phase transitions and crystal structure of [Rb0.54(Nh4)0.46]3H(SeO4)2

Optical birefringence, calorimetric, thermal expansion, powder and single crystal X-ray diffraction investigations of mixed proton conductors [Rb_1-x(NH₄)_x]₃H(SeO₄)₂ were performed with the aim of studying the influence of partial substitution of cations on the superprotonic phase transition, on the atomic structure and on other characteristic features of this type of crystals.