Miracle-dz/UniFAR-FTUs huggingface dataset:
Production of 2,5-dimethoxyhydroquinone by the brown-rot fungus Serpula lacrymans to drive extracellular Fenton reaction

Abstract The brown-rot fungus Serpula lacrymans MAFF 420003 was grown in a liquid culture medium containing 0.5% carboxymethyl cellulose (CMC) and 1% glucose as carbon sources. Although little extracellular cellulase was secreted, the fungus produced an oxidized quinone-type chelator, 2,5-dimethoxy-1,4-benzoquinone (2,5-DMBQ). The concentration of 2,5-DMBQ in the medium reached a maximum of 90 μmm after a month of cultivation. S. lacrymans could reduce 2,5-DMBQ to 2,5-dimethoxyhydroquinone (2,5-DMHQ), thus a biological Fenton reaction was adopted by the fungus. The changes in the molecular weight distribution of CMC and arabinogalactan were analyzed after the addition of 2,5-DMHQ and Fe3+. CMC was apparently depolymerized by the reaction, but the same reaction conditions showed no significant effect on arabinogalactan. These differences suggest the specificities of the biological Fenton reaction via 2,5-DMBQ toward soluble polysaccharides. In addition, the crystallinity index of α-cellulose did not decrease as a result of the reaction with 2,5-DMHQ and Fe3+. These results provide indirect evidence that S. lacrymans employs a biological Fenton reaction mediated by a quinone-type chelator, and preferentially degrades amorphous regions of cellulose rather than crystalline regions in the non-enzymatic cellulose degradation.
Synthesis and Nonisothermal Crystallization Behavior of Poly(ethylene terephthalate)/Attapulgite Nanocomposites

Poly(ethylene terephthalate)/attapulgite nanocomposites were prepared by in situ polymerization. The nanoscaled AT rods were well dispersed in the PET matrix. The crystallization and melting behavior of PET in the composites were investigated by differential scanning calorimetry. The results show that the degree of crystallinity and the peak temperature of crystallization of PET/AT nanocomposites are higher than that of pure PET. The AT nanorods have a remarkable heterogeneous nucleation effect in PET. Several different analysis methods were used to describe the process of nonisothermal crystallization. The combination of the Avrami and Ozawa equations could describe the nonisothermal crystallization of the composites very well. By using a method proposed by Kissinger, activation energies have been evaluated to be 169, 197, 223, and 222 kJ/mol for nonisothermal crystallization of pure PET and PET/AT nanocomposites with AT loadings of 0.5, 1, and 2 wt. %, respectively.
Influência da temperatura da massa de grãos sobre a toxicidade do ozônio a Tribolium castaneum

Considering that the grain temperature may influence the exposure time of the fumigants, the present study was carried out to investigate the influence of increasing temperatures of the grain mass (20, 30, 35 and 40 oC) on the exposure time to ozone required to kill 50 and 95% of adult insects of Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae). Maize grains were distributed in cylindrical polyvinyl chloride recipients having connections for gas injection and exhaustion. The insects held in cages were placed at the median height of the grain mass in each recipient, which was then fumigated with ozone at the concentration of 50 ppm. The lethal times (LT50 and LT95) for adult insects of T. castaneum were reduced by increasing grain temperature, from 20 to 30 oC; however, at 35 oC the lethal times were not reduced compared with lower temperatures; but at 40 oC the exposure time decreased again, resulting in lower LT95.
Preparation of Sol−Gel Films by Dip-Coating in Extreme Conditions

Dip-coating of sol−gel solutions is a complex dynamic process that is difficult to model because it is associated with time-dependent evaporation-induced concentration and viscosity gradients in the solution. It is, however, highly used in the coating technology because it is simple and provides excellent reproducibility. Existing fair models have been proposed some decades ago to describe this method, but they are based on Newtonian and nonevaporating liquids and require several important assumptions and simplifications. In this work, we present a simple experimental study of sol−gel film formation by dip-coating, through which we propose a general semiexperimental model to predict the final film thickness. Spectroscopic ellipsometry was used as the main technique to obtain the film physical thickness and optical density for various dip-coating processing conditions (withdrawal speeds from 0.01 to 20 mm·s−1 and temperatures from 25 to 60 °C) and for several different chemical solutions (TiCl4, TEOS, and .
Ionic Liquid–Vacuum Interfaces Probed by Reactive Atom Scattering: Influence of Alkyl Chain Length and Anion Volume

The liquid–vacuum interfaces of a series of room-temperature ionic liquids (RTILs) containing the 1-alkyl-3-methylimidazolium cation ([Cnmim]) were investigated by reactive-atom scattering (RAS). The length of the alkyl chain (n = 4, 6, 8, and 12) and the anion type (bis(trifluoromethylsulfonyl)imide ([Tf2N]), trifluoromethanesulfonate ([OTf]), and tetrafluoroborate ([BF4])) were varied systematically to determine their effects on the preferential occupancy of the surface by alkyl chains. The experiments employed collisions with gas-phase, ground-state oxygen atoms, O(3P), generating OH and H2O products that revealed the abundance of abstractable H atoms at the liquid surface. Two complementary approaches with different O atom energies and detection methods were employed: we denote these RAS-laser-induced fluorescence (RAS-LIF) and RAS-mass spectrometry (RAS-MS). [Cnmim][BF4] RTILs were studied by both methods, giving consistent trends of strongly increasing alkyl coverage with chain length. Even for the .
A comparative study of the anisotropy of lattice strain induced in the crystals of L-serine by cooling down to 100 K or by increasing pressure up to 4.4 GPa

Abstract The anisotropy of lattice strain in the crystals of L-serine (P212121, at ambient conditions a = 5.615(1) Å, b = 8.589(2) Å, c = 9.346(2) Å) on cooling down to 100 K and with increasing hydrostatic pressure up to 4.4 GPa was compared with each other and also with the results previously obtained for the polymorphs of glycine. On cooling, the structure expanded slightly along the crystallographic a-direction, compression along the crystallographic b- and c-directions (normal to the chains of the serine zwitter-ions) was very similar. With increasing pressure, the same structure compressed in all the crystallographic directions, linear strain along c-axis was the largest, linear strain along a-axis — the smallest, linear compression along the b-axis with increasing pressure was slightly larger than that along the a-axis. The different anisotropy of lattice strain of the same structure on cooling and under pressure could be correlated with different response of intermolecular hydrogen bonds to these two scalar actions.
Exothermic gas absorption with chemical reaction

The film theory for gas absorption with chemical reaction has been extended to take into account the release of heat due to solution and reaction. The analysis is applied to the industrially significant sulfur trioxide-dodecylbenzene system, and large increases in interface temperature are predicted during absorption. The enhancement factor behavior is correspondingly complex owing to the interaction of solubility reduction and rate constant enlargement. Some initial experimental measurements with the laminar jet technique confirm the need for and the basic soundness of the theory.
Comparative study of GC‐MS characterization, antioxidant activity and hyaluronidase inhibition of different species of Lavandula and Thymus essential oils

The chemical compositions of essential oils of Lavandula angustifolia, Lavandula latifolia, Lavandula hybrida cultivar Grosso and cultivar Super, Thymus zygis with high proportions of thymol and linalool and Thymus hyemalis, from Murcia country (Spain), were studied in relative (%), absolute (mM) and chiral concentrations by GC/MS. Hyaluronidase inhibition and antioxidant activities of the essential oils were evaluated using ABTS•+, DPPH•, ORAC, chelating power, hydroxyl radical, nitric oxide, TBARS and reducing power assays. Linalool and linalyl acetate were the most abundant components in the Lavandula genus whereas thymol, linalool and 1,8-cineole were the most abundant molecules in the respective Thymus species. Chiral determination of the main components showed (+)-enantiomers like terpinen-4-ol, β-pinene, borneol and α-terpineol and (−)-enantiomers like linalool, linalyl acetate and camphene in Lavandula sp. In the case of Thymus sp. (+)-enantiomers like α-pinene, limonene, terpinen-4-ol and α-terpineol and (−)-enantiomers like borneol were found. Essential oils containing thymol were found especially powerful in all assays but chelating power, ORAC and hydroxyl radical scavenging assays. The capacity for inhibiting hyaluronidase showed that T. zygis with a high proportion of thymol was the most effective inhibitor. Essential oils containing thymol and linalool/linalyl acetate have a potential use as antioxidant agents. Thymol shows strong inhibition of hyaluronidase. Copyright © 2015 John Wiley & Sons, Ltd.
Development of a thermally enhanced frame wall with phase‐change materials for on‐peak air conditioning demand reduction and energy savings in residential buildings

This paper presents the development of a thermally enhanced frame wall that reduces peak air conditioning demand in residential buildings. A frame wall that integrates a highly crystalline paraffin phase‐change material (PCM), via macro‐encapsulation, was developed, constructed, and evaluated. This prototype wall is referred to as phase‐change frame wall (PCFW). Results from field testing show that the PCFW reduced wall peak heat fluxes by as much as 38%. For a period of several days that included walls facing different directions, the average wall peak heat flux reduction was approximately 15% when PCFWs with a 10% concentration of PCM (based on indoor sheathing weight) were used and approximately 9% when a 20% PCM concentration was used. The average space‐cooling load was reduced by approximately 8.6% when 10% PCM was applied and 10.8% when 20% PCM was used. The level of insulation in the PCFWs that were tested was 1.94m2K/W (R‐11). Copyright © 2005 John Wiley & Sons, Ltd.
Utilização de sensor óptico ativo para detectar deficiência foliar de nitrogênio em algodoeiro

Visou-se com este trabalho, avaliar, em condicoes de campo, o efeito da variacao de doses de nitrogenio na deteccao do teor de nitrogenio foliar do algodoeiro (Gossypium hirsutum L. var. latifolium Hutch), utilizando-se propriedades de reflectância obtidas por um sensor optico ativo. O delineamento experimental foi o aleatorizado em blocos, com cinco tratamentos (0, 50, 100, 150 e 200 kg ha-1 de N) e quatro repeticoes. Os dados do Indice de Vegetacao Diferenca Normalizada (NDVI) e da razao simples vermelho/infravermelho proximo (V/IVP) foram coletados no periodo de 23 a 92 dias apos a emergencia (DAE) totalizando nove datas de coleta; coletaram-se tambem dados referentes ao indice de clorofila, indice de area foliar (IAF) e altura de plantas. Os valores do NDVI apresentaram tendencia crescente ao longo do periodo das leituras, enquanto a relacao V/IVP teve comportamento inverso e, a partir de 45 DAE, foram afetados significativamente pelas doses de N aplicadas. Relacoes significativas foram observadas entre os valores do NDVI, indice de clorofila e IAF; aos 92 DAE o NDVI apresentou relacao linear positiva e altamente significativa com o teor foliar de N. O sensor utilizado pode ser uma ferramenta efetiva para estimar a deficiencia foliar de nitrogenio em algodoeiro.
Visible Luminescence and Surface Properties of Nanosized ZnO Colloids Prepared by Hydrolyzing Zinc Acetate

Luminescence properties of nanosized zinc oxide (ZnO) colloids greatly depend on their surface properties. These surface properties in turn are largely determined by the method of preparation. The procedure for producing ZnO colloids consists of two major steps: (1) preparing the precursor by reacting zinc acetate with ethanol and (2) hydrolyzing the precursor to form the colloid by using lithium hydroxide. The sample colloids in this study were prepared by hydrolyzing zinc acetate precursors containing various concentrations of Zn2+ with different concentrations of lithium hydroxide. The luminescence properties were evaluated by the energy difference, ΔE, between the band gap and the emission energy which were obtained from the onset of the absorption spectrum and the peak wavelength of the emission spectrum, respectively. The surface properties of ZnO particles were studied using thermal gravimetric and infrared techniques. ZnO particles produced via these procedures are not pure but have acetate (CH3C.
SOME REMARKS ON THE MODELLING OF THE THERMOMECHANICAL BEHAVIOUR OF SHAPE MEMORY ALLOYS

Our aim is to examine from the continuum thermodynamic point of view, some models predicting the pseudoelastic behaviour of shape memory alloys. We investigate the choice of states variables, the structure of free energy and complementary laws. A special emphasis is made on generalized standard models. In the state of art, there is a lot of progress to do for modelling the behaviour of shape memory alloys. 1. -INTRODUCTION.
Binding characteristics between polyethylene glycol (PEG) and proteins in aqueous solution.

Polymer-protein interactions are crucial for determining the activity of both polymer and protein for many bio-related applications. Poly(ethylene glycol) (PEG) as a well-known antifouling material is often coated on surfaces to form highly solvated brushes, which exhibit excellent protein-repellent properties. However, unlike surface-induced antifouling effects, little is known about the intrinsic PEG-protein interactions in aqueous solution, which is an important yet neglected problem. Here, we investigate the interactions between PEG and proteins in aqueous solution using fluorescence spectroscopy, atomic force microscopy (AFM), and nuclear magnetic resonance (NMR). Two important characteristics, molecular weight of PEG and mass ratio of PEG : protein, are examined to determine the effect of each on PEG-protein interactions as well as binding characteristics between PEG and proteins. In contrast to too long and too short PEG chains, collective results have shown that PEG with optimal molecular weight (MW) is more capable of interacting with proteins, which induces the conformational change of proteins through more stable binding sites and stronger interactions with long chain PEG. Enhanced PEG-protein interactions are likely due to the change of hydrophilicity to amphiphilicity of PEG with increasing MWPEG. In contrast to almost none or weak interactions of PEG surfaces with proteins, this work provides new evidence to demonstrate the existence of interactions between PEG and proteins in aqueous solution, which is important not only for better understanding of the structure-activity relationship of PEG both in solution and on surfaces, but also for the rational design of new PEG-based materials for specific applications.
Combustion Simulation of a Diesel Engine in the pHCCI Mode with Split Injections by the Spatially Integrated CMC Model

Simulation is performed for a diesel engine in the partial homogeneous charge compression ignition (pHCCI) mode with split injections. The spatially integrated CMC model involves an additional heat loss term for the conditional enthalpy and the evaporation source terms for the mean mixture fraction variance. Two flame structures are defined to consider different evaporation and flame histories of the two split injection fuel groups. An independent transport equation is solved for each fuel vapor group with no mutual interaction between flame structures. The local mean mixture fraction and its variance determine the probability density functions (PDF) and the scalar dissipation rates (SDR). Calculated pressure traces show reasonable agreement with measurements for different loads and ratios between the two split injections. The overpredicted rate of pressure rise at ignition is attributed to simultaneous burning of all combustible premixture in the CMC model. The flammable limits are applied to consider extinction of lean mixture, wall film, or other possible factors for incomplete combustion of the pilot injection fuel, which burns completely after mixing with the second main injection fuel. Further research may be required for improved spray atomization and wall film models, which play a significant role in heat release and emissions of pHCCI engines.
Graft copolymerization of methyl methacrylate onto cellulosic biofibers

In this article, we have used the potassium persulfate to initiate the graft copolymerization of methyl methacrylate onto cellulosic biofibers in aqueous medium. Different reaction parameters, such as reaction time, initiator molar ratio, monomer concentration, amount of solvent, and reaction temperature, were optimized to get the maximum percentage of grafting (50.93%). The graft copolymers thus formed were characterized by Fourier transform infrared, scanning electron microscopy, X-ray diffraction, and thermogravimetric, differential thermal analysis, and derivative thermogravimetric techniques. A mechanism is proposed to explain the generation of radicals and the initiation of graft copolymerization reactions. On grafting, percentage crystallinity decreases with reduction in its stiffness and hardness. The effect of grafting percentage on the physicochemical properties of raw as well as grafted fibers has also been investigated. The graft copolymers have been found to be more moisture resistant and also showed better chemical and thermal resistance. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011.
Si–Sb–Te films for phase-change random access memory

Electrical properties and crystallization behaviour of Si–Sb–Te films were studied and compared with those of a Ge2Sb2Te5 film. The resistivity ratio of Si–Sb–Te films can reach 106 during the amorphous–crystalline transition, accompanied with a small thickness change (less than 3%). The melting temperature of Si–Sb–Te films is lower than that of a Ge2Sb2Te5 film. Furthermore, the switching characteristics of the device using a Si10.7Sb39. 5Te49.8 film were also studied. The device can be successfully switched with a 4 V, 100 ns pulse for SET operation and a 5 V, 40 ns pulse for RESET operation. A small RESET current and low power consumption can be obtained, which may be attributed to the low melting temperature and the high crystalline resistivity of Si–Sb–Te films. These results indicate the feasibility of Si–Sb–Te films in the application of phase-change random access memory.
ASSESSMENT OF POLYACRYLAMIDE DEGRADATION USING ADVANCED OXIDATION PROCESSES AND FERRATE(VI) OXIDATION

The aim of this work was to investigate the degradation of six polyacrylamide (PAM) polymers when submitted to advanced oxidation processes (AOP) and ferrate(VI) oxidation. PAM is a highly versatile polymer made of acrylamide monomers, and it is widely used for water and wastewater treatment purposes. The degradation of these polymers using Fenton reagent, H2O2/UV, Fe2+/H2O2/UV, and Fe3+/H2O2/UV, as well as ferrate(VI), showed that PAM may present different behaviors under oxidation processes, especially regarding their ionic charge. Among the oxidative processes, the photochemical processes present the best overall results towards PAM degradation. COD and TOC were successfully used to assess PAM degradation, while ammonia determination has shown that •OH radicals produced by AOP tends to rapidly attack the amide group, releasing NH3 as a reaction product. Finally, the influence of each oxidation process, its reagent concentration, and photo-induced conditions on PAM degradation are discussed.
Endogenous Driving Behavior in Tests of Racial Profiling

African-American motorists may adjust their driving in response to increased scrutiny by law enforcement. We develop a model of police stop and motorist driving behavior and demonstrate that this behavior biases conventional tests of discrimination. We empirically document that minority motorists are the only group less likely to have fatal motor vehicle accidents in daylight when race is more easily observed by police, especially within states with high rates of police shootings of African-Americans. Using data from Massachusetts and Tennessee, we also find that African-Americans are the only group of stopped motorists whose speed relative to the speed limit slows in daylight. Consistent with the model prediction, these shifts in the speed distribution are concentrated at higher percentiles of the distribution. A calibration of our model indicates substantial bias in conventional tests of discrimination that rely on changes in the odds that a stopped motorist is a minority.
Emissions of Particulate Trace Elements, Metals and Organic Species from Gasoline, Diesel, and Biodiesel Passenger Vehicles and Their Relation to Oxidative Potential

Three light-duty passenger vehicles were tested in five configurations in a chassis dynamometer study to determine the chemical and oxidative potential of the particulate exhaust emissions. The first vehicle was a diesel Honda with a three-stage oxidation system. Its main catalyst was replaced with a diesel particulate filter (DPF) and tested as a second configuration. The second vehicle was a gasoline-fuelled Toyota Corolla with a three-way catalytic converter. The last vehicle was an older Volkswagen Golf, tested using petro-diesel in its original configuration, and biodiesel with an oxidation catalyst as an alternative configuration. Particulate matter (PM) was collected on filters and subsequently analyzed using various chemical and toxicological assays. The production of reactive oxygen species (ROS), quantified by the dithiothreitol (DTT) and macrophage-ROS assays, was used to measure the PM-induced oxidative potential. The results showed that the Golf vehicle in both configurations had the highest emissions of organic species (PAHs, hopanes, steranes, and organic acids). The DPF-equipped diesel Accord car emitted PM with the lowest amounts of organic species and the lowest oxidative potential. Correlation analyses showed that soluble Fe is strongly associated with particulate ROS activity (R = 0.99), while PAHs and hopanes were highly associated with DTT consumption rates (R = 0.94 and 0.91, respectively). In particular, tracers of lube oil emissions, namely Zn, P, Ca, and hopanes, were strongly correlated with distance-based DTT consumption rates (R = 0.96, 0.92, 0.83, and 0.91, respectively), suggesting that incomplete combustion of lube oil might be important driving factors of the overall PM-induced oxidative stress.
Hydrogen dynamics and metallic phase stabilization in VO2

Experimental doping of VO2 with hydrogen has been shown to trigger the semiconductor-to-metal phase transition below room temperature. Here, we report the results of density functional calculations showing that hydrogen-induced lattice distortion stabilizes the metallic phase. We also show that hydrogen diffuses preferentially along the rutile [001] direction whereby surface orientations can be tailored for optimal transport. Finally, we show that hydrogen doping is energetically favored, but there is a 1.6 eV barrier for dissociation of hydrogen molecules on a (100) monoclinic surface. These results give insight into the effect of hydrogen on the properties and phase transition of VO2.