Miracle-dz/UniFAR-FTUs huggingface dataset:
Use of Biocrude Derived from Woody Biomass to Substitute Phenol at a High-Substitution Level for the Production of Biobased Phenolic Resol Resins

Received 25 June 2010; accepted 2 January 2011DOI 10.1002/app.33742Published online 29 March 2011 in Wiley Online Library (wileyonlinelibrary.com). ABSTRACT: Phenolic bio-oil produced by the directliquefaction of Eastern white pine (Pinus Strobus L.) sawdustin a hot-compressed ethanol-water (1:1 w/w) medium at300 C was used to partially substitute for phenol in thesynthesis of bio-oil-phenol-formaldehyde (BPF) resol resins.Bio-based resol resins with high levels of phenol substitution(up to 75 wt%) could be used as plywood adhesives becauseof the low molecular weights found for the phenolic bio-oil(weight-average molecular weight ¼ 1072 g/mol, number-average molecular weight ¼ 342 g/mol). The properties ofthe BPF resol resins were analyzed by differential scanningcalorimetry, Fourier transform infrared spectroscopy, gelpermeation chromatography, and thermogravimetric analy-sis. All of the experimental BPF resins possessed broad mo-lecular weight distributions but had similar chemical/thermal properties compared to a conventional phenol–formaldehyde (PF) resol resin reference (or 0 wt % BPFresin). The BPFs exhibited the typical properties of a thermo-setting PF resin, for example, an exothermic curing tempera-ture of 140–150 C and an acceptable residual carbon yield of48–72 wt % nonvolatile content at 700 C. The experimentalBPFs were applied as adhesives in the assembly of plywood,and then, the dry/wet tensile strengths were evaluated. Thetensile strengths of the dry plywood samples bonded withthe BPF resins up to a high ratio value of 75 wt % bio-oilexceeded or were comparable to that of the conventionalpure PF resin adhesive. All of the BPF-resin-bonded ply-wood samples gave wet tensile strengths comparable tothose of the conventional PF adhesive.
High resolution laser spectroscopy of asymmetrically deuterated cyclopentadienyl radicals: A study of vibronic degeneracy resolution and Jahn–Teller distortion

The rotationally resolved, laser induced fluorescence, excitation spectra of the partially deuterated cyclopentadienyl radicals, C5H4D and C5HD4, have been observed at low temperature in a supersonic free jet expansion. The observed electronic transition in the uv region corresponds to the A 2A‘2■X 2E‘1 transition in the symmetric cyclopentadienyl isotopomers with D5h symmetry. In the reduced C2v symmetry of the C5HD4 and C5H4D isotopomers, this electronic transition splits into two distinct vibronic bands, separated by about 9 cm−1, which arise from the two vibronic components X1 and X2 into which the X state is resolved when the symmetry is lowered. In C5H4D the ground X1 state has 2A2 symmetry and a permanently distorted, elongated allyl‐like structure while the low‐lying X2 state has 2B2 symmetry and a compressed dienelike structure. The symmetries of the energy levels and the distortions are reversed for the C5HD4 species. A detailed theoretical model is developed to describe the splitting and.
Influência do cultivo da cana-de-açúcar e da mineralogia da fração argila nas propriedades físicas de latossolos vermelhos

As atuais tecnicas de manejo da cultura da cana-de-acucar utilizam um vigoroso revolvimento do solo por ocasiao do plantio, com o uso de arados, grades pesadas e subsoladores. O objetivo deste trabalho foi avaliar o grau de modificacao de algumas propriedades fisicas de um Latossolo Vermelho caulinitico (LVd) e de um Latossolo Vermelho caulinitico-oxidico (LVdf) cultivados com cana-de-acucar e sob mata nativa no municipio de Jaboticabal (SP), alem de comparar as propriedades fisicas encontradas em ambos os Latossolos. O delineamento experimental utilizado foi o inteiramente casualizado, em esquema de parcelas subdivididas 4 x 3 (manejos e camadas), com quatro repeticoes. Tambem foi realizada a analise conjunta entre as propriedades fisicas dos Latossolos. Os sistemas de uso foram: cana planta (CP), cana soca de segundo ano (C2), cana soca de quarto ano (C4) e mata nativa (MN). Avaliaram-se a densidade do solo (Ds), a sua porosidade e o diâmetro medio ponderado (DMP) nas camadas de 00,10, 0,10-0,20 e 0,20-0,30 m. Os efeitos dos sistemas de uso e manejo sobre os atributos fisicos, nas diferentes camadas, foram verificados a partir da analise de variância; quando significativas, as medias foram comparadas pelo teste de Tukey a 5 %. A MN do LVdf apresentou maior macroporosidade e menor microporosidade em relacao a das areas cultivadas, mas, para porosidade total e Ds, a MN apresentou diferenca apenas para C2 e C4. O tempo de cultivo da cana-de-acucar proporcionou o aumento da Ds e diminuicao da macroporosidade em ambos os Latossolos. Entretanto, o maior teor de oxido de Fe no LVdf proporcionou maior porosidade total e menor Ds, e sua macroporosidade permaneceu acima de 0,10 m3 m-3 em todos os manejos e camadas. Os sistemas de uso do solo com cana-de-acucar reduziram a estabilidade de agregados, em relacao a mata nativa.
Pseudo-Outbreak of Mycobacterium scrofulaceum Linked to Cross-Contamination With a Laboratory Reference Strain

DISCUSSION The predominance of S aureus colonization and infection in AIDS patients has been cited in the literature. Raviglione et al demonstrated a high frequency of S aureus carriage among AIDS patients who had no influence of previous hospitalization or drug abuse. Onorato et al referred to prior antibiotic use, central venous catheter placement, presence of dermatologic disease, and duration of hospitalization as independent variables associated with increased risk for MRSA colonization and infection in AIDS patients. In our study, we detected a higher incidence of MRSA than of methicillin-sensitive S aureus strains in AIDS patients. The colonization episodes were more likely to be identified when three or more nasal swabs were collected, suggesting that collection of more than three specimens per patient is important to improve the detection of MRSA colonization. Our data suggest that the acquisition of MRSA nasal colonization was related to hospitalization in the IDU and to frequent healthcare assistance in the ADCU. The predominant pattern was detected in AIDS patients who were cared for in the ADCU or the IDU and in non-AIDS patients treated in the IDU, showing cross-contamination between the units. A previous study showed a similar profile in our hospital. Of note, Teixeira et al described the geographic spread of an epidemic MRSA strain among Brazilian hospitals that was very similar to the endemic profile in our study.
Evaluation of Advanced Sewage Treatment Processes for Reuse of Wastewater Using Bioassays

Four advanced sewage treatments (sand filtration, ozone/hydrogen peroxide treatment (AOP), microfiltration (MF), and reverse osmosis (RO)) were compared in terms of their capability to reduce estrogenicity, genotoxicity, and acute toxicity, assuming portable reuse of the effluents. Yeast estrogen screening and an enzyme-linked immunosorbent assay indicated that both overall estrogenicity and 17β-estradiol concentration were significantly reduced by RO and AOP (removals more than 97 % were achieved) while sand filtration and MF were not sufficient. This tendency of similar toxicity levels for RO and AOP effluents, was consistent with genotoxicity and mutagenicity results for Ames test, umu test, and B. subtilis rec-assay and acute toxicity (Microtox®). However, a different trend was observed for total organic carbon (TOC) removal (i.e., higher removal by RO than AOP). This implies that AOP is capable of reducing the toxicity even if TOC is not completely mineralized. Results show that AOP and RO are much more effective than sand filtration and MF for the reduction of the estrogenicity, genotoxicity and acute toxicity of secondary effluent.
A second‐order algorithm for the simulation of the Brownian dynamics of macromolecular models

Most recent works on Brownian dynamics simulation employ a first‐order algorithm developed by Ermak and McCammon [J. Chem. Phys. 69, 1352 (1978)]. In this work we propose the use of a second‐order algorithm in which the step is a combination of two first‐order steps, like in the second‐order Runge–Kutta method for differential equations. Although the computer time per step is roughly doubled, the second‐order algorithm is more efficient than the previous one because a given accuracy in the results can be achieved with less than half the number of steps. The new algorithm also allows for longer time steps without divergence. The advantage of the new procedure is illustrated in the simulation of four macromolecular systems: A quasirigid dumbbell, a semiflexible trumbbell, a semiflexible hinged rod, and a Gaussian polymer chain.
Analysis of pyrethroid pesticides in sediments from San Diego County streams using liquid chromatography-triple quadrupole mass spectrometry

OF THE THESIS Analysis of Pyrethroid Pesticides in Sediments from San Diego County Streams Using Liquid Chromatography-Triple Quadrupole Mass Spectrometry by Grace Ramos Farinas Master of Public Health with a Concentration in Environmental Health San Diego State University, 2012 Pyrethroid pesticides may move into surface waters after application through spray drift and stormwater runoff. These compounds are hydrophobic in nature and thus preferentially partition on to suspended and bedded sediment particles. Because of this association, sediments in urban streams and agricultural water bodies are considered the predominant “sink” for pyrethroids in California. Low concentrations of pyrethroids in sediments may be of significant ecological concern because pyrethroids exhibit toxicity to insects and other aquatic invertebrates that serve as the food supply of fish and other aquatic animals. A new method for the analysis of pyrethroid pesticides in sediment was developed using microwave-assisted extraction (MAE) combined with the Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) method followed by liquid chromatography triple quadrupole mass spectrometry (LC-MS/MS). Mean recoveries for bifenthrin and permethrin by MAE were 37.1% (range 20-63.9%), and 60.0% (range 27.4-102%), respectively. To confirm the effectiveness of this method for environmental applications, sediments collected from four San Diego County streams were analyzed. At least one pyrethroid was present in 88% of the sediment samples. Bifenthrin was detected the most frequently (75%) with concentrations ranging from 11-202 μg/kg dry weight. Permethrin was detected less frequently in concentrations up to 420 μg/kg. Forester Creek contained the highest pyrethroid concentrations measured in the study. The limits of detection for bifenthrin and permethrin in sediment were less than 1.0 μg/kg and 5.0 μg/kg. Sediment pyrethroid concentrations were compared to published average 10-day median lethal concentrations (LC50, dry weight) for H. azteca (bifenthrin, 12.9 μg/kg; permethrin, 201 μg/kg). According to these values, concentrations of bifenthrin detected at Los Penasquitos Creek, San Diego River, and Forester Creek exceeded the LC50 values in eleven out of sixteen samples. Two samples from Forester Creek had concentrations of permethrin that were above the LC50 for H. azteca. These results suggest that bifenthrin in particular may pose a potential risk to sensitive benthic organisms in these water bodies. Any observed sediment-associated toxicity is less likely to be associated with permethrin. Additional research is needed to explore the actual risks that pyrethroid pesticides have on stream benthic communities.
Description and evaluation of GMXe: a new aerosol submodel for global simulations (v1)

Abstract. We present a new aerosol microphysics and gas aerosol partitioning submodel (Global Modal-aerosol eXtension, GMXe) implemented within the ECHAM/MESSy Atmospheric Chemistry model (EMAC, version 1.8). The submodel is computationally efficient and is suitable for medium to long term simulations with global and regional models. The aerosol size distribution is treated using 7 log-normal modes and has the same microphysical core as the M7 submodel (Vignati et al., 2004). The main developments in this work are: (i) the extension of the aerosol emission routines and the M7 microphysics, so that an increased (and variable) number of aerosol species can be treated (new species include sodium and chloride, and potentially magnesium, calcium, and potassium), (ii) the coupling of the aerosol microphysics to a choice of treatments of gas/aerosol partitioning to allow the treatment of semi-volatile aerosol, and, (iii) the implementation and evaluation of the developed submodel within the EMAC model of atmospheric chemistry. Simulated concentrations of black carbon, particulate organic matter, dust, sea spray, sulfate and ammonium aerosol are shown to be in good agreement with observations (for all species at least 40% of modeled values are within a factor of 2 of the observations). The distribution of nitrate aerosol is compared to observations in both clean and polluted regions. Concentrations in polluted continental regions are simulated quite well, but there is a general tendency to overestimate nitrate, particularly in coastal regions (geometric mean of modelled values/geometric mean of observed data ≈2). In all regions considered more than 40% of nitrate concentrations are within a factor of two of the observations. Marine nitrate concentrations are well captured with 96% of modeled values within a factor of 2 of the observations.
Tubular nanocomposite catalysts based on size-controlled and highly dispersed silver nanoparticles assembled on electrospun silica nanotubes for catalytic reduction of 4-nitrophenol

Tubular nanocomposites of silver nanoparticles (AgNPs)/silica nanotubes (SNTs) with the nearly uniform diameters of 250–350 nm were successfully fabricated by combining the single capillary electrospinning technique (for SNTs as the supports) and an in situreduction approach (for AgNPs). The highly dispersed AgNPs assembled on the inner and outer surface of SNTs through the in situreduction of Ag+ by Sn2+ ions were confirmed by transmission electron microscopy (TEM), UV-Vis absorption spectra and X-ray photoelectron spectroscopy (XPS). It was interesting to note that the size of AgNPs on the surface of SNTs could be controlled by appropriately adjusting the amount of ammonia solution during the above in situreduction reaction. The catalytic activities of the as-prepared tubular nanocomposites were evaluated by using a model reaction based on the reduction process of 4-nitrophenol (4-NP) into 4-aminophenol (4-AP) in the presence of NaBH4 as the reductant. The results indicated that all the tubular nanocomposites catalysts with high specific surface area (185–250 m2 g−1) exhibited excellent catalytic activities because the highly dispersed AgNPs were exposed on the inner and outer surface of electrospun SNTs, allowing effective contact with the reactants and catalysis of the reaction. In particular, the tubular nanocomposite catalysts containing small size AgNPs had higher catalytic activities than those containing the large size ones, which was attributed to the size-dependent Ag redox potential and surface-to-volume ratio influencing interfacial electron transfer from AgNPs surface to 4-NP in the presence of highly electron injecting BH4− ions. Those tubular catalysts based on AgNPs/SNTs nanocomposites could be easily recycled without a decrease of the catalytic activities due to their one-dimensional nanostructural property.
Propriedades físicas e químicas de solos incubados com resíduo alcalino da indústria de celulose

A industria de celulose e papel descarta toneladas de residuos com composicao quimica variada. Certos residuos estao sendo utilizados por produtores rurais para correcao da acidez do solo, pois apresentam hidroxido em sua composicao. Contudo, nenhum criterio e adotado para quantificar a dose a ser utilizada, bem como para sua reaplicacao, o que pode acarretar problemas de dispersao da argila, reducao da estabilidade dos agregados e desbalanco de nutrientes, comprometendo, dessa forma, propriedades fisicas e quimicas dos solos. O objetivo deste estudo foi avaliar as propriedades fisicas e quimicas de dois solos incubados com residuo alcalino (dregs) da industria de celulose. Foram utilizadas amostras da camada superficial de um Latossolo Bruno distrofico e de um Cambissolo Humico aluminico incubadas com doses de residuo alcalino equivalentes a 0, 12, 25, 35 e 50 % de carbonato de calcio necessario para elevar o pH da camada de 0-20 cm para 6,0. Foram analisados: a estabilidade de agregados, argila dispersa em agua, cations trocaveis, pH e o ponto de efeito salino nulo (PESN). O residuo alcalino reduziu o teor e a saturacao por aluminio e aumentou o pH e os teores de calcio, magnesio, potassio e sodio trocaveis. Aumentou o potencial eletrico negativo de ambos os solos, mas reduziu o grau de floculacao da argila apenas do Cambissolo Humico aluminico. Nesse solo, o grau de floculacao foi negativamente relacionado com o potencial eletrico negativo (r = -0,93**). A reducao do grau de floculacao da argila se deve, provavelmente, a maior repulsao das particulas que apresentam carga variavel com o pH. A estabilidade dos agregados nao foi alterada pela adicao do residuo alcalino.
Growth of calcium oxalate monohydrate on uric acid crystals at sustained supersaturation

The effect of uric acid seeds on calcium oxalate formation was studied at pH 4.50 and 37 °C using a system providing constant supersaturation with respect to calcium oxalate and saturated in uric acid. In all cases the only solid‐phase forming was identified as calcium oxalate monohydrate (COM). Kinetic analysis of the initial rates showed that they were proportional with the relative supersaturation with respect to calcium oxalate monohydrate. The linear dependence of the rate of precipitation of COM on uric acid suggested that growth is mediated through a surface diffusion controlled mechanism. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effect of Oral Health on Nutritional Status of Older Adults in a Rural Area

Oral health is essential part of older people's physical health and wellness. Compromised oral health may have a detrimental effect on food consumption, contributing to dietary degradation. Aim: to assess the effect of oral health on nutritional status of older adults. Design: Cross-Sectional design was used. Setting: The present study was done at ElAwasja Village, Hehia district, Sharkia Governorate. The study sample included 190 older adults selected by multistage cluster sampling technique. Three tools of data collection: I) A structured interview questionnaire. II) Oral Health Assessment Tool for Non-Dental Professionals. III) An Arabic version of the Mini-Nutritional Assessment. Results: Among 190 older adults, 63.2% of them had poor oral health, 56.8% were at risk for malnutrition and 19.5% were malnourished. Also, the study revealed a highly significant negative correlation between total oral health score of the studied elderly and their total nutritional status score (r = -0.404). Conclusions: More than two thirds of the studied elderly had poor oral health status, more than half of them were at risk of malnutrition, while, more than one fifth of them were malnourished. Older adults' oral health was significantly associated with their nutritional status. Recommendation: The study findings recommend the importance of regular oral health assessment and oral health care for rural older people to reduce their risk of malnutrition.
Flame retardant polymer/layered double hydroxide nanocomposites

Recently, there has been rapid growth in research related to the synthesis and application of flame retardant polymer–layered double hydroxide (LDH) nanocomposites. In order to outline the potential and to promote further developments in the field we have prepared a critical review of the most recent progress in the area. We discuss the techniques and indices (e.g. micro calorimetery, limiting oxygen index, cone calorimetry and UL-94) for evaluating the flame retardant properties. The flame retardant mechanism of LDHs, the types of polymers studied, the effect of LDH chemical composition and the synergistic effect with other fire retardants are reviewed. It is hoped that this review will not only introduce the synthesis, characterisation and application of polymer–LDH nanocomposites for flame retardancy, but also prompt new discussion on the use of LDH dispersions in polymer-based materials.
On dispersive transport by hopping and by trapping

Abstract The physical connection between the non-markovian, homogeneous dispersive transport theory of Scher and Montroll, and markovian transport in real inhomogeneous systems is clarified. In the light of this connection, the time dependence of the transient current in time-of-flight experiments is examined for two processes, the hopping mechanism, and the trap limited transport mechanism. It is found that the results of Scher and Montroll are a good representation of the trap limited transport under broad conditions, but they do not ably represent the hopping transport. The expected time dependence of the current for hopping is derived for three time regimes. It is found to differ qualitatively from the time dependence of the current for trapping. A formula is given which relates Scher and Montroll's parameter α to the density of states and trapping time distribution in the case of trapping.
Effects of Zinc Substitution on Crystal Structure and Microwave Dielectric Properties of CaLa4Ti5O17 Ceramics

Zinc-substituted CaLa4Ti5O17 microwave dielectric ceramics with the composition of Ca1−xZnxLa4Ti5O17 (x=0–1) were prepared by a solid-state reaction method. The effects of zinc substitution on sintering behavior, crystal structure, and microwave dielectric properties of CaLa4Ti5O17 ceramics were investigated. Zinc substitution can effectively lower the sintering temperature of CaLa4Ti5O17 ceramics from 1500° to 1100°C. X-ray diffraction and Raman spectra analysis reveal that with increasing zinc content, the n value of the AnBnO3n+2 structures changed and distinct compounds formed. With increasing Zn2+ content, the perovskite-slabs decreased from 5-[BO6] to 4.5-[BO6] in the range of 0.13≤x≤0.2, and then collapsed to 4-[BO6] at about x=0.6, with Zn2TiO4 as the secondary phase. The microwave dielectric properties of the sintered ceramics vary with the Zn2+ content. The present ceramics with a small amount of zinc substitution show a relatively small temperature coefficient of resonant frequency of 4.9–8.7 ppm/°C, ɛr of 57–58, and a Q×f value of 11 300–17 400 GHz. When x=0.01, the best combination of dielectric properties, a near-zero temperature coefficient of resonant frequency of τf∼4.9 ppm/°C, ɛr∼57.6, and Q×f∼17 100 GHz, is obtained.