Communication: Weakening the critical dynamical slowing down of models with SALR interactions.

In systems with frustration, the critical slowing down of the dynamics severely impedes the numerical study of phase transitions for even the simplest of lattice models. In order to help sidestep the gelation-like sluggishness, a clearer understanding of the underlying physics is needed. Here, we first obtain generic insight into that phenomenon by studying one-dimensional and Bethe lattice versions of a schematic frustrated model, the axial next-nearest neighbor Ising (ANNNI) model. Based on these findings, we formulate two cluster algorithms that speed up the simulations of the ANNNI model on a 2D square lattice. Although these schemes do not eliminate the critical slowing own, speed-ups of factors up to 40 are achieved in some regimes.

Hetero-Lattice Intergrown and Robust MOF Membranes for Polyol Upgrading.

Metal-organic framework membranes are frequently used in gas separations, but rare in pervaporation for liquid chemical upgrading, especially for separating water from polyols, due to lack of highly compact and robust micro-architecture. Here, we report hetero-lattice intergrown membranes in which amino-MIL-101 (Cr) particles embedded into the micro-gaps of MIL-53 (Al) rod arrays after secondary growth. By means of high-resolution TEM and two-dimensional topologic simulation, the connection between these two distinct MOF lattices at the molecular-level and their crystallographic geometry harmony is identified, which leads to a close-knit structure at the crystal boundaries of membranes. Typically, the membrane shows a separation factor as high as 13 000 for a 90/10 ethanediol/water solution in pervaporation, yields polymer-grade ethanediol, and saves ca. 32 % of energy consumption vs. vacuum distillation. It has a highly robust micro-architecture, with great tolerance to high pressure, durability against ultrasonic therapy and long-term separation stability over 600 h.

Characterization and efficient Monte Carlo sampling of disordered microphases.

The disordered microphases that develop in the high-temperature phase of systems with competing short-range attractive and long-range repulsive (SALR) interactions result in a rich array of distinct morphologies, such as cluster, void cluster, and percolated (gel-like) fluids. These different structural regimes exhibit complex relaxation dynamics with marked heterogeneity and slowdown. The overall relationship between these structures and configurational sampling schemes, however, remains largely uncharted. Here, the disordered microphases of a schematic SALR model are thoroughly characterized, and structural relaxation functions adapted to each regime are devised. The sampling efficiency of various advanced Monte Carlo sampling schemes-Virtual-Move (VMMC), Aggregation-Volume-Bias (AVBMC), and Event-Chain (ECMC)-is then assessed. A combination of VMMC and AVBMC is found to be computationally most efficient for cluster fluids and ECMC to become relatively more efficient as density increases. These results offer a complete description of the equilibrium disordered phase of a simple microphase former as well as dynamical benchmarks for other sampling schemes.

Eating with peel or not: Investigation of the peel consumption situation and its nutrition, risk analysis, and dietary advice in China.

Nutritious, balanced, tasty and easy to eat, fruit is an indispensable health food for consumers. With consumers' increasing respect for the concept of health, green and nutrition, the peel, which has higher nutritional value compared to the pulp, is gradually being emphasized in the consumption process. The suitability of fruit peels for consumption is influenced by various factors, such as the amount of pesticide residues, nutrient content, ease of peeling, and fruit texture, but there is a lack of relevant studies to guide consumers' scientific intake of fruit peels. This review first investigated chineses consumers consumption of common fruits with peels, especially eight fruits that are controversial in terms of whether to consume them with peels, and the results showed that whether people consume peels depends mainly on their nutritional value and pesticide residues. Based on this, the paper discusses the common methods of pesticide detection and removal from fruit peels, as well as the nutrients contained in different fruit peels and their physiological activities, if the peels usually have stronger antioxidant, anti-inflammatory and anti-tumor activities than the pulp. Finally, reasonable dietary recommendations are made on whether fruits should be consumed with their peels, with a view to guiding chineses consumers towards scientific consumption and provide theoretical basis for relevant research in other countries.

Differences in Anthocyanin Accumulation Profiles between Teinturier and Non-Teinturier Cultivars during Ripening.

Anthocyanins are vital components of plant secondary metabolites, and are also the most important coloring substances in wine. Teinturier cultivars are rich in anthocyanins. However, the differences in anthocyanin accumulation and profiles between teinturier and non-teinturier cultivars have not been reported. In this study, Yan 73 and Dunkelfelder were selected as the experimental materials, and three non-teinturier cultivars were used for comparison. LC-MS and qRT-PCR were used to determine the individual anthocyanin contents and the relative gene expression. The results show that the total anthocyanin content of the teinturier cultivars was considerably higher than that in non-teinturier cultivars, and the levels of individual anthocyanins increased gradually during ripening. Lower ratios of modified anthocyanins were found in the teinturier cultivars, which was not only due to the high expression level of VvUFGT and VvGST4, but also due to the relatively low expression of VvOMT in these cultivars. Cluster analysis of gene expression and anthocyanin accumulation showed that VvUFGT is related to anthocyanin accumulation, and that AM1 is related to the synthesis and transport of methylated anthocyanins. Our results will be useful for further clarifying the pathways of anthocyanin synthesis, modification, and transport in teinturier cultivars.

Chemocatalytic Conversion of Cellulosic Biomass to Methyl Glycolate, Ethylene Glycol, and Ethanol.

Production of chemicals and fuels from renewable cellulosic biomass is important for the creation of a sustainable society, and it critically relies on the development of new and efficient transformation routes starting from cellulose. Here, a chemocatalytic conversion route from cellulosic biomass to methyl glycolate (MG), ethylene glycol (EG), and ethanol (EtOH) is reported. By using a tungsten-based catalyst, cellulose is converted into MG with a yield as high as 57.7 C % in a one-pot reaction in methanol at 240 °C and 1 MPa O2 , and the obtained MG can be easily separated by distillation. Afterwards, it can be nearly quantitatively converted to EG at 200 °C and to EtOH at 280 °C with a selectivity of 50 % through hydrogenation over a Cu/SiO2 catalyst. By this approach, the fine chemical MG, the bulk chemical EG, and the fuel additive EtOH can all be efficiently produced from renewable cellulosic materials, thus providing a new pathway towards mitigating the dependence on fossil resources.

Catalytic conversion of cellulosic biomass to ethylene glycol: Effects of inorganic impurities in biomass.

The effects of typical inorganic impurities on the catalytic conversion of cellulose to ethylene glycol (EG) were investigated, and the mechanism of catalyst deactivation by certain impurities were clarified. It was found that most impurities did not affect the EG yield, but some non-neutral impurities or Ca and Fe ions greatly decreased the EG yield. Conditional experiments and catalyst characterization showed that some impurities changed the pH of the reaction solution and affected the cellulose hydrolysis rate; Ca and Fe cations reacted with tungstate ions and suppressed the retro-aldol condensation. To obtain a high EG yield, the pH of the reaction solution and the concentration of tungstate ions should be respectively adjusted to 5.0-6.0 and higher than 187ppm. For raw biomass conversion, negative effects were eliminated by suitable pretreatments, and high EG yields comparable to those from pure cellulose were obtained.

A novel catalyst for hydrazine decomposition: molybdenum carbide support on gamma-Al2O3.

An alumina-supported Mo2C catalyst is found to be as active as a conventionally used Ir/gamma-Al2O3 catalyst for catalytic decomposition of hydrazine tested in a monopropellant thruster.

Catalytic conversion of cellulose to ethylene glycol over a low-cost binary catalyst of Raney Ni and tungstic acid.

Following our previous report on the selective transformation of cellulose to ethylene glycol (EG) over a binary catalyst composed of tungstic acid and Ru/C, we herein report a new low-cost but more effective binary catalyst by using Raney nickel in place of Ru/C (Raney Ni+H(2 WO(4) ). In addition to tungstic acid, other W compounds were also investigated in combination with Raney Ni. The results showed that the EG yield depended on the W compound: H(4)SiW(12)O(40)

Selective production of 1,2-propylene glycol from Jerusalem artichoke tuber using Ni-W(2) C/AC catalysts.

A series of Ni-promoted W(2) C/activated carbon (AC) catalysts were investigated for the catalytic conversion of Jerusalem artichoke tuber (JAT) under hydrothermal conditions and hydrogen pressure. Even a small amount of Ni could greatly promote the conversion of JAT to 1,2-propylene glycol (1,2-PG), whereas the pure W(2) C/AC catalyst resulted in the selective formation of acetol. The product distribution profiles involving the reaction temperature, time, and H(2) pressure indicated that 1,2-PG formed as a result of acetol hydrogenation, which was catalyzed by Ni. Thus, there was a synergy between W(2) C and Ni, and the best performance yielded 38.5% of 1,2-PG over a 4%Ni-20%W(2) C/AC catalyst at 245°C, 6 MPa H(2) , and 80 min. To understand the reaction process, some important intermediates, such as inulin, fructose, acetol, glyceraldehyde, and 1,3-dihydroxyacetone, were used as the feedstock. Based on the product distributions derived from these intermediates, a reaction pathway was proposed, where JAT was first hydrolyzed into a mixture of fructose and glucose under the catalysis of H(+) , then the sugars underwent a retro-aldol reaction followed by hydrogenation catalyzed by Ni-W(2) C.

Temperature-controlled phase-transfer catalysis for ethylene glycol production from cellulose.

A temperature-controlled phase-transfer catalyst-tungsten acid, which in combination with a robust heterogeneous catalyst Ru/C shows a high activity and exceptional reusability for the one-pot conversion of cellulose to ethylene glycol. This binary system can be reused more than 20 times with ethylene glycol yield over 50%.

Nickel-promoted tungsten carbide catalysts for cellulose conversion: effect of preparation methods.

A series of Ni-promoted W(2) C catalysts was prepared by means of a post-impregnation method and evaluated for the catalytic conversion of cellulose into ethylene glycol (EG). Quite different from our previously reported Ni-W(2) C/AC catalysts, which were prepared by using the co-impregnation method, the introduction of Ni by the post-impregnation method did not cause catalyst sintering, but resulted in redispersion of the W component, which was identified and characterized by means of XRD, TEM, and CO chemisorption. The highly dispersed Ni-promoted W(2) C catalyst was very active and selective in cellulose conversion into EG, with a 100% conversion of cellulose and a 73.0% yield in EG. The underlying reason for the enhanced catalytic performance was most probably the significantly higher dispersion of active sites on the catalyst.

Hydrolysis of cellulose into glucose over carbons sulfonated at elevated temperatures.

The hydrolysis of cellulose over sulfonated carbons was promoted greatly by elevating the sulfonation temperature. With 250 degrees C-sulfonated CMK-3 as a catalyst, the cellulose was selectively hydrolyzed into glucose with the glucose yield as high as 74.5%, which is the highest level reported so far on solid acid catalysts.

Production of 5-hydroxymethylfurfural in ionic liquids under high fructose concentration conditions.

Acid-promoted, selective production of 5-hydroxymethylfurfural (HMF) under high fructose concentration conditions was achieved in ionic liquids (ILs) at 80 degrees C. A HMF yield up to 97% was obtained in 8min using 1-butyl-3-methylimidazolium chloride ([C(4)mim]Cl) catalyzed with 9mol% hydrochloric acid. More significantly, an HMF yield of 51% was observed when fructose was loaded at a high concentration of 67wt% in [C(4)mim]Cl. Water content below 15.4% in the system had little effect on HMF yield, whereas a higher water content was detrimental to both reaction rate and HMF yield. In situ NMR analysis suggested that the transformation of fructose to HMF was a highly selective reaction that proceeded through the cyclic fructofuranosyl intermediate pathway. This work increased our capacity to produce HMF, and should be valuable to facilitate cost-efficient conversion of biomass into biofuels and bio-based products.