Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation of Microdevice Performance by Transient Heat Transfer Simulation

The present work considers transient electrothermal simulation of sub-micrometer silicon device and electron-phonon interactions in electrical and thermal fields. A coupled thermal and electrical model is developed for a silicon + + − − n n n structure consisting of the hydrodynamic equations for electron transport and energy conservation equations for phonon. The results indicate that, for one electric field the lattice temperature gradient has significant effect on the magnitude of electric current. The transient phonon temperature affects the device performance due to the change of mobility and gradient temperature of electron. At an external voltage of 0.1 V, calculations show that an increase in the junction boundary temperature by 100 °C, cause increasing the drain current by 16% at 3 picosecond and decreases it by 17% up to steady state condition.
Triterpenos y saponinas triterpénicas de Phytolacca icosandra y Phytolacca rugosa

El estudio fitoquimico de los extractos metanolicos de las hojas y ramas de Phytolacca ico­sandra y P. rugosa, especies utilizadas tradicionalmente en Venezuela como repelentes contra las garrapatas del ganado vacuno ( Boophilus ssp. ), permitio el aislamiento de dos triterpenos penta­ciclicos y cinco saponinas triterpenicas. Estos compuestos fueron identificados mediante tecni­cas espectrales (FAB- o ESI-EM, RMN-1H, RMN-13C y 2D-RMN) como acido espergulagenico [1] , acido epi -acetilaleuritolico [2] , acido 3- O -[-α-l-rhamnopiranosil(1→2)-β-d-glucopiranosil(1→2)-β-d-glucopiranosil]-28- O -β-d-gluco piranosil-serjanico [3] , acido 3- O -(β-d-glucopiranosil)-28- O -β-d-glucopiranosil-serjanico [4] , acido 3- O -[β-d-glucopiranosil (1→2)-β-d-glucopiranosil]-28- O -β-d-glucopiranosil-serjanico [5] , acido 3- O -[β-d-galactopiranosil(1→3)-β-d-gluco piranosil]-28- O -β-d-glucopiranosil-serjanico [6] y acido 3- O -[β-d-glucopiranosil (1→3)-β-d-galactopiranosil (1→3)-β-d-glucopiranosil]-28- O -β-d-glucopiranosil-serjanico [7].
First-principles calculation of the Peierls distortion in an infinite linear carbon chain: the contribution of Raman spectroscopy

The modulation of the longitudinal optical (LO) phonon branch of a linear, infinite carbon chain (carbyne) by the degree of bond length alternation (BLA) is discussed in relation to the wavenumber dispersion of the strongest Raman line of oligoynes. Furthermore, the potential energy surface describing the Peierls distortion of the infinite 1D crystal has been determined theoretically through DFT calculations with periodic boundary conditions. A two-minima potential surface has been obtained as a function of BLA parameter, under the constraint that the diatomic unit cell keeps its translational period fixed to the optimized value. In this way, it has been possible to obtain the generalized harmonic force constant associated with the LO phonon at the Γ point. The results obtained can be related to the observed behavior of the LO Raman line upon the temperature-driven phase transition towards a cumulenic structure. Copyright © 2007 John Wiley & Sons, Ltd.
Caesium and strontium sorption to sediment and clay minerals

Radioactive caesium (137Cs) and strontium (90Sr) are two of the most important contaminant radionuclides present in many terrestrial environments, as a result of accidental and approved releases from anthropogenic nuclear activity. This thesis investigates the sorption of Cs and Sr onto the surfaces of common terrestrial minerals and a mixed phase sediment. The key findings of the work were with regard to the effect of solution pH and ionic strength on changing the mechanism of Cs and Sr interaction with reactive mineral surfaces. Caesium was found to sorb to multiple sorption sites within the mixed phase sediment. The first of these was a Cs selective site at the edge of the illite interlayer, known as the frayed edge site. It was determined from electron microscopy and x-ray absorption spectroscopy that Cs was selectively incorporated and retained in the interlayer structure in inner-sphere complexes. Cs was also found to sorb to two other main sorption sites in competition with other cations. Therefore the concentrations of Cs sorbing to the mineral surfaces were greatly reduced in low pH or high ionic strength conditions. Solution pH and ionic strength also played a major role in Sr sorption. At intermediate pH Sr sorbed to the surface of illite, chlorite and goethite in outer-sphere complexes. Therefore the presence of competing ions in solution significantly reduced total Sr sorption. However, at very high pH, Sr was specifically adsorbed into inner-sphere surface complexes. This allowed significant concentrations of Sr to sorb to the mineral surface even in high ionic strength solutions. The findings of this thesis mark a significant advance in understanding the fundamental processes governing the behaviour of 137Cs and 90Sr in the environment. Particularly it shows the importance of groundwater chemistry in governing sorption behaviour.
Effect of Al content on the structure of Al-substituted goethite : a micro-Raman spectroscopic study

The characterization of X-ray diffraction, X-ray fluorescence, and field emission scanning electron microscope were used to confirm the successful preparation of Al-substituted goethite with different Al content. The micro-Raman spectroscopy was utilized to investigate the effect of Al content on the goethite lattice. The results show that all the feature bands of goethite shifted to high wavenumbers after the occurrence of Al substitution for Fe in the structure of goethite. The shift of wavenumber shows a good linear relationship as a function of increasing Al content especially for the band at 299 cm−1 (R2 = 0.9992). The in situ Raman spectroscopy of thermally treated goethite indicated that the Al substitution not only hinders the transformation of goethite, but also retarded the crystallization of thermally formed hematite. All the results indicated that Raman spectrum displayed an excellent performance in characterizing Al-substituted goethite, which implied the promising application in other substituted metal oxides or hydroxides.
Efficient photo-dissociation of CH4 and H2CO molecules with optimized ultra-short laser pulses

The fragmentation dynamics of CH4 and H2CO molecules have been studied with ultra-short pulses at laser intensityof up to 1015Wcm−2. Three dimensional molecular dynamics calculations for finding the optimized laser pulses are presented based on time-dependent density functional theory and quantum optimal control theory. A comparison of the results for orientation dependence in the ionization process shows that the electron distribution for CH4 is more isotropic than H2CO molecule. Total conversion yields of up to 70% at an orientation angle of 30o for CH4 and 65% at 900 for H2CO are achieved which lead to enhancement of dissociation probability.
Rendimiento y absorción de algunos nutrimentos en plantas de camote cultivadas con estrés hídrico y salino

Sweet potato (Ipomoea batatas L.) is a low production cost crop that is grown during almost the whole year, mainly in developing countries. In arid and semiarid regions, the presence of salinity and water stress can generate yield reductions and losses in the quality of the tuber roots. To address these issues, an experiment was performed to determine yield, N, P, K, Ca, Mg and Na uptake and proline content in plants belonging to two sweet potato cultivars with a different degree of salt tolerance, grown under three (0, 8 and 14 mmol NaCl) salt and two watering regimes (watering after two and four days), during summer-fall conditions of 2009. Salinity and watering frequencies were controlled by using the soilless culture technique. Both water and salt stresses reduced tuber root yields. The yield reduction is explained by a reduction in the uptake of N, P, K, Ca and Mg with the water stress treatment, and an increased Na uptake in the high salinity treatment. The salt and water stress adjustments were reflected in an increment in proline content in leaves and tuber roots. The results confirm the tolerant cultivar as a hardy variety adaptable to abiotic stresses, whereas the non-tolerant variety had lower yield and nutrient uptake. The results did not support the hypothesis that changes in proline content might be used as fast screening tools to discriminate between tolerant and susceptible sweet potato cultivars.
A Novel Process for the Preparation of Cu/ZnO and Cu/ZnO/Al2O3Ultrafine Catalyst: Structure, Surface Properties, and Activity for Methanol Synthesis from CO2+H2☆

Cu/ZnO and Cu/ZnO/Al2O3ultrafine particle catalysts have been prepared by a novel oxalate gel coprecipitation method. XRD, TEM, TG/DTG, and EXAFS were used to characterize the phases, morphology, and particle sizes of the precursors of the catalysts and reduced catalysts. The results showed that isomorphous substitution took place between copper and zinc in the precipitates. The addition of Al to the binary system made the copper and zinc in the catalyst exist in much smaller crystallites and exhibit an amorphous-like structure. The effects of composition, structure, and surface property of the catalysts as well as the reaction condition on the activity and selectivity to methanol for methanol synthesis from CO2+H2were investigated. The activity was found to increase with the increase of surface area of metallic copper in the range of 10–60% of copper content, but it decreased as the copper content exceeded 60%, although the metallic copper surface area was higher. This was explained by the strong synergy between copper and zinc oxide. The effect of contact time on the relative selectivity (γ=SCH3OH/SCO) and selectivity of methanol was also investigated. The results indicated that methanol was formed directly from hydrogenation of CO2.
Effects of geochemical constituents on the zero‐valent iron reductive removal of nitrobenzene in groundwater

Nitrobenzene (NB) was chosen as the model contaminant, and batches lab scale experiments were conducted to investigate the effects of geochemical compositions on reductive removal of nitrobenzene by zero‐valent iron (ZVI) in groundwater. Experimental results showed that the kinetics of nitrobenzene reduction by ZVI was a pseudo‐first order with an observed rate constant, kobs, of 3.67 × 10−4/s; the calculated half‐life of nitrobenzene was 1.89 × 103/s. The geochemical constituents of groundwater have significant influences on ZVI reactivity and nitrobenzene reduction. The presence of high concentration of nitrate, carbonate, sulphate and hardness had detrimental effects on reduction of nitrobenzene and formation of aniline; chloride had a slight positive effect on the nitrobenzene reduction and the formation of aniline. Bicarbonate enhanced the ZVI reactivity initially at lower concentration and inhibited the nitrobenzene reduction at high concentration. Therefore, the performance and reactivity of ZVI were found to be strongly affected by the geochemical constituents of groundwater.
Anaerobic granular reactors for the treatment of dairy wastewater: A review

Considerable research has been conducted on the treatment of dairy wastewater by anaerobic granular reactors. Upflow anaerobic sludge blanket (UASB) reactors, anaerobic sequencing batch reactors (ASBR) and static granular bed reactors (SGBR) are the conventional granular reactor types most commonly applied in dairy wastewater treatment. Hybrid systems have also been developed to increase treatment efficiency and overcome the operational problems associated with the treatment of this substrate. Effects of parameters including temperature, organic loading and operating protocols on the performance of granular reactors are summarised. Individual and hybrid granular reactors are evaluated based on organic matter removal and methane production capacity.
Portable minimally invasive human glucose detection instrument by surface plasmon resonance

With the improvement of living standard, the incidence of diabetes increases year by year. Minimally invasive blood glucose monitoring is an effectively way to control diabetes, and it is achieved by measuring the glucose concentration of interstitial fluid in human body. This paper presents a portable minimally-invasive human glucose detection instrument which is based on a miniature integrated surface plasmon resonance (SPR) sensor. D-galactose/D-glucose Binding Protein (GGBP) which can specifically absorb glucose moleculars is used to modify the gold surface of SPR sensor for higher sensitivity and stability. The instrument includes an interstitial fluid extraction unit, a liquid flow unit, a SPR sensor unit and a circuit control unit. Interstitial fluid is extracted from human body using the interstitial fluid extraction unit, and it is then transported to the SPR sensor by the liquid flow unit, and the SPR sensor can detect the glucose concentration in the interstitial fluid. The acquisition and process of data is controlled by the circuit control unit, which controls the operation of the whole system as well. The glucose detection resolution could reach 6.25mg/L, and the experiment result has good linearity when the glucose concentration ranges from 6.25mg/L to 50mg/L.
Catechin and Epicatechin Concentrations of Red Wines: Regional and Cultivar-Related Differences

Employing gradient elution HPLC with direct injection of 20 µL of sample and diode array detection, the (+)-catechin and (-)-epicatechin concentrations were determined in >800 red wines from different wine-producing regions. The concentrations of both were highest in wines vinted from Pinot noir in all regions where this cultivar is grown, with red Burgundy and Canadian wines having the highest concentrations. Among wines vinted exclusively or predominantly from Cabernet Sauvignon, the highest catechin concentrations were found in wines from Washington State and Bordeaux (Medoc) with highest values for epicatechin in wines from Bordeaux and Canada. Next to wines from Pinot noir, those from Merlot had the highest in concentrations and wines from Shiraz the lowest. The ratio catechin: epicatechin showed considerable variation among the different cultivars, highest values for this ratio being found in wines from Pinot Noir and lowest in wines from Shiraz. Regression analysis revealed a variable but significant relationship between the two compounds, with the correlation coefficient ranging between 0.460 (Rhone Valley) to 0.917 (Oregon Pinot noir). Their relationship demonstrated a significant independent component, probably a consequence of genetic factors determining their concentrations in individual cultivars. However, their distribution is reminiscent of the pattern shown by resveratrol free isomers, suggesting that, in addition to cultivar, fungal pressure and climatic stress may promote their synthesis by Vitis vinifera .
Implications for the Evolution of Prezygotic Isolation in Sympatry and Beyond

Reinforcement, the evolution of prezygotic reproductive barriers by natural selection in response to maladaptive hybridization, is one of the most debated processes in speciation. Critics point to “fatal” conceptual flaws for sympatric evolution of prezygotic isolation, but recent theoretical and empirical work on genetics and ecology of reinforcement suggests that such criticisms can be overcome. New studies provide evidence for reinforcement in frogs, fish, insects, birds, and plants. While such evidence lays to rest the argument over reinforcement’s existence, our understanding remains incomplete. We lack data on (1) the genetic basis of female preferences and the links between genetics of pre- and postzygotic isolation, (2) the ecological basis of reproductive isolation, (3) connections between prezygotic isolation between species and within-species sexual selection (potentially leading to a “cascade” of effects on reproductive isolation), (4) the role of habitat versus mate preference in reinforcement, and (5) additional detailed comparative studies. Here, we review data on these issues and highlight why they are important for understanding speciation.
Internal signal stochastic resonance of a synthetic gene network

The dynamics behavior of a synthetic gene network controlled by random noise is investigated using a model proposed recently. The phenomena of noise induced oscillation (NIO) of the protein concentrations and internal signal stochastic resonance (SR) are studied by computer simulation. We also find that there exists an optimal noise intensity that can most favor the occurrence of effective oscillation (EO). Finally we discuss the potential constructive roles of SR on gene expression systems.
A Study of Optical Properties of Soot Aggregates Composed of Poly-Disperse Monomers Using the Superposition T-Matrix Method

The diameters of soot monomers may not be constant in the single fractal aggregated soot particle. The optical properties of light absorbing soot particles aggregated with poly-disperse monomers were studied using the superposition T-matrix method. Soot aggregates were generated with different log-normal probability distribution functions (PDF) of soot monomer diameter, according to the same soot volumes and monomer numbers. The single scattering properties of soot particles were calculated at a wavelength of 550 nm, assuming a soot refractive index of 1.95 + 0.79i and a mass density of 1.8 g/cm3. The random-orientation averaging results indicated that the optical properties of soot aggregates were fairly varied for the different distributions of the monomer diameters. In these simulations, the extinction and absorption of soot aggregates were slightly (<10%) affected by the monomer poly-dispersity. The simulated mass absorption cross-sections (MAC) of fresh dry soot particles aggregated with poly-disperse monomers reached up to 6.62 ± 0.07 m2/g, which was closer to the measurement (7.5 ± 1.2 m2/g) than the assumption of volume-equivalent mono-disperse monomer (6.36 ± 0.06 m2/g). Moreover, the optical properties of soot coated with an organic shell were calculated, and the optical results showed that the absorption cross-sections of the internally mixed soot particles were also slightly (<8%) influenced by the monomer poly-dispersity. We found that the effect of the monomer poly-dispersity on the light scattering and the single scattering albedo may be considerably large (up to ˜50% in extreme cases) for fresh dry soot aggregates. This effect on light scattering should be taken into account for those aggregates composed of monomers with widely distributed diameters. Copyright 2015 American Association for Aerosol Research
Effects of hydric stress on the growth, blood chemistry and meat quality characteristics of indigenous chickens.

The broad objective of the study was to determine the effects of restricted water intake on the growth, blood chemistry and meat quality characteristics of indigenous chickens in semi arid environments. A total of 15 flocks in communal villages and 12 flocks in resettlement schemes of Msinga District in South Africa were monitored for 30 months to determine the effects of production system and season on flock size, dynamics and constraints faced by indigenous chicken producers. As a follow up, 281 and 233 chicks hatched in November 2011 from 18 and 9 households in communal villages and resettlement schemes, respectively were monitored using a structured checklist to determine survival and causes of mortality from hatching up to 12 weeks of age. Kaplan-Meier survival distributions and the odds ratios for effects of potential risk factors were determined using survival analysis and logistic regression models, respectively. Flock composition and structure were significantly affected by production system and month. Farmers in resettlement schemes had approximately one cock and three hens more (P 0.05) between the two production systems but chicks were the predominant age group (38 %) of each flock. The cock to hen ratio in households in communal villages was 1:3.5, while that in resettlement schemes was 1:3.7, suggesting that inbreeding might have been reducing flock productivity. Flock sizes in communal villages peaked in March (45.1 ± 3.02) during the post rainy season and declined steadily to a low of 34.7 ± 3.63 in September during the hot-dry season. The largest flock sizes in resettlement schemes were observed in January (52.4 ± 5.09) during the hot-wet season and the smallest in August (36.1 ± 5.98) during the cold- dry season. Households in communal villages had more chicks (P 0.05) by production system. Hatched chicks were the major mode of entry, accounting for more than 97 % of entries into flocks. The contribution of purchases, gifts and exchanges was negligible. Mortality was the main cause of exits from flocks, accounting for 70 and 63 % of total exits among households in communal villages and resettlement schemes, respectively. The major causes of mortality were aerial predators, sub-optimalnutrition and inclement weather conditions, which were similar between production systems. The number of birds that exited flocks through slaughter for household consumption was higher (P < 0.05) among households in resettlement (34% of total exits) than communal villages (21 % of total exits). The proportion of chickens exiting flocks through sales was higher in communal (9 %) than…
Immune escape in chronic leukemia

Reactive oxygen species (ROS) are produced by myeloid cells as a mechanism of defense against infection, but also to resolve inflammation, as ROS can induce cell death in T cells and NK cells. ROS production may also be deployed as a mechanism by which myeloid cells suppress anti-leukemic lymphocytes to promote malignant progression. The aim of this thesis was to define the role of myeloid cell-derived ROS in chronic leukemias as a putative target of immunotherapy. In paper I, the transductional pathways leading to ROS-induced lymphocyte death were investigated and found to involve the ERK1/2 mitogen-activated protein kinase (MAPK). These results challenge the view of ROS-induced cell death being a direct consequence of ROS-inflicted DNA damage. Papers II and III demonstrate that anti-CD20 monoclonal antibodies (mAbs) triggered ROS production by monocytes and neutrophils, which translated into reduced NK cell-mediated antibody-dependent cytotoxicity (ADCC) towards autologous leukemic cells derived from patients with chronic lymphocytic leukemia (CLL). The anti-oxidative agent histamine dihydrochloride (HDC) was found to restore ADCC by preventing ROS formation from adjacent monocytes, suggesting that anti-oxidative therapy might increase the efficacy of therapeutic mAbs. In paper IV, monocytic leukemic cells obtained from patients with chronic myelomonocytic leukemia (CMML) were shown to suppress T cells and NK cells by producing ROS. HDC counter-acted the suppression of lymphocytes by preventing ROS formation, and augmented the anti-leukemic activity of NK cells. Collectively, these results suggest that myeloid cell-derived ROS may be operational in CLL and in CMML as a mechanism of immune escape and that immunotherapy by anti-oxidative intervention should be further investigated in these forms of
Scanning Tunneling Microscope Tip-Induced Anodization for Nanofabrication of Titanium

The fabrication of oxide patterns on titanium (Ti), with a spatial resolution of 20 nm, was accomplished by the use of a scanning tunneling microscope (STM) through applying a positive sample bias (V s ) voltage of +3.0 to +8.0 V in the presence of adsorbed water on Ti. The fabricated patterns were observed as swelled structures in the STM images acquired at V s =-3.0 V. Surface swelling was induced only when V s was set positively, and the height of the oxide layer increased with increasing V s , which suggested that the pattern formation was attributed to electrochemical oxidation of Ti; anodization of Ti with adsorbed water. The role of the faradaic current flows during STM tip-induced anodization for tip control is also discussed in terms of a scanning electrochemical microscope