Miracle-dz/UniFAR-FTUs huggingface dataset:
Critically Evaluated Rate Coefficients for Free‐Radical Polymerization, 5,

Summary: Propagation rate coefficients, kp, for free-radical polymerization of butyl acrylate (BA) previously reported by several groups are critically evaluated. All data were determined by the combination of pulsed-laser polymerization (PLP) and subsequent polymer analysis by size exclusion (SEC) chromatography. The PLP-SEC technique has been recommended as the method of choice for the determination of kp by the IUPAC Working Party on Modeling of Polymerization Kinetics and Processes. Application of the technique to acrylates has proven to be very difficult and, along with other experimental evidence, has led to the conclusion that acrylate chain-growth kinetics are complicated by intramolecular transfer (backbiting) events to form a mid-chain radical structure of lower reactivity. These mechanisms have a significant effect on acrylate polymerization rate even at low temperatures, and have limited the PLP-SEC determination of kp of chain-end radicals to low temperatures (<20 °C) using high pulse repetition rates. Nonetheless, the values for BA from six different laboratories, determined at ambient pressure in the temperature range of −65 to 20 °C mostly for bulk monomer with few data in solution, fulfill consistency criteria and show excellent agreement, and are therefore combined together into a benchmark data set. The data are fitted well by an Arrhenius relation resulting in a pre-exponential factor of 2.21 × 107 L · mol−1 · s−1 and an activation energy of 17.9 kJ · mol−1. It must be emphasized that these PLP-determined kp values are for monomer addition to a chain-end radical and that, even at low temperatures, it is necessary to consider the presence of two radical structures that have very different reactivity. Studies for other alkyl acrylates do not provide sufficient results to construct benchmark data sets, but indicate that the family behavior previously documented for alkyl methacrylates also holds true within the alkyl acrylate family of monomers. Arrhenius plot of propagation rate coefficients, kp, for BA as measured by PLP-SEC.
Classic Fabry disease: a clinical case presentation in a resident of Transcarpathia

Background. Fabry disease is an inherited X-linked disorder of α-galactosidase deficiency that results in the accumulation of globotriaosylceramide and related neutral glycosphingolipids and may cause a wide range of symptoms affecting multiple systems. We aimed to provide a narrative literature overview of Fabry disease, with a clinical case presentation. Materials and methods. We provided a comprehensive clinical, neurological, laboratory, and instrumental analysis of Fabry disease in a young white adult admitted to the Regional Clinical Center of Neurosurgery and Neurology (Uzhhorod, Ukraine). Results and conclusions. We have presented a brief literature overview of the disease, supported with a clinical case of classic Fabry disease in a young white resident of Transcarpathia.
Neuroprotective Effects of Purpurin Against Ischemic Damage via Anti-inflammatory and MAPK Pathway

Purpurin has various effects, including anti-inflammatory effects, and can efficiently cross the blood-brain barrier. In the present study, we investigated the effects of purpurin on oxidative stress in HT22 cells and ischemic damage in the hippocampal CA1 region of gerbils. Oxidative stress induced by H2O2 was significantly ameliorated by treatment with purpurin, based on changes in cell death, DNA fragmentation, formation of reactive oxygen species, and apoptosis (Bcl-2)/antiapoptosis (Bax)-related protein levels. In addition, treatment with purpurin significantly reduced the phosphorylation of c-Jun N-terminal kinase (JNK), extracellular signal-regulated kinase 1/2 (ERK), and p38 signaling in HT22 cells. Transient forebrain ischemia in gerbils led to a significant increase in locomotor activity 1 day after ischemia and significant decrease in number of surviving cells in the CA1 region 4 days after ischemia. Administration of purpurin reduced the travel distance 1 day after ischemia and increased the number of NeuN-immunoreactive neurons in the hippocampal CA1 region of the dentate gyrus 4 days after ischemia. Purpurin treatment significantly decreased microglial activation in the hippocampal CA1 region 4 days after ischemia and ameliorated the ischemia-induced increases in interleukin (IL)-1β, IL-6, and tumor necrosis factor (TNF)-α 6 h after ischemia. In addition, purpurin significantly alleviated the ischemia-induced phosphorylation of JNK, ERK, and p38 in the hippocampus 1 day after ischemia. These results suggest that purpurin has neuroprotective potential to reduce inflammatory processes and the phosphorylation of JNK, ERK, and p38 in the hippocampus.
ASPECTOS FITOSSOCIOLÓGICOS E INDICADORES DA QUALIDADE DO SOLO EM SISTEMAS AGROFLORESTAIS

Objetivou-se avaliar os atributos florísticos e fitossociológicos, os atributos físicos do solo e os estoques de matéria orgânica e carbono orgânico do solo de cinco sistemas agroflorestais (SAFs) da Região Central de Rondônia. Para isso, realizou-se o levantamento florístico para determinação da área basal, riqueza, diversidade e uniformidade das espécies. No processo de amostragem do solo, dividiu-se cada um dos sistemas em quatro quadrantes e coletou-se amostras indeformadas nas profundidades de 0cm a 20cm e 20cm a 40cm para determinação da densidade do solo, macroporosidade, microporosidade e porosidade total; e amostras deformadas nas profundidades de 0cm a 5cm, 5cm a 10cm, 10cm a 20cm e 20cm a 40cm para determinação dos estoques de matéria orgânica e carbono orgânico do solo. Os resultados foram submetidos à correlação de Pearson para verificar interações entre os parâmetros avaliados. Os atributos florísticos e fitossociológicos variaram consideravelmente entre os sistemas agroflorestais e, de modo geral, os diferentes arranjos de SAFs apresentaram atributos físicos próximos ou abaixo dos valores considerados críticos para crescimento radicular. Além disso, notou-se que os SAFs mais adensados e com estrutura do solo favorável ao desenvolvimento das plantas favoreceram maiores quantidades de matéria orgânica e carbono orgânico do solo.Palavras-chave: agroecossistemas, física do solo, estoque de carbono, desenvolvimento rural sustentável. PHYTOSOCIOLOGICAL ASPECTS AND SOIL QUALITY INDICATORS IN AGROFORESTRY SYSTEMS ABSTRACT:This study aimed to analyze floristic and phytosociological attributes, soil physical attributes, and organic matter and soil organic carbon stocks in five agroforestry systems (AFS) in the Central Region of Rondônia. Floristic surveys were carried out to determine basal area, richness, diversity and uniformity of the species. In the soil sampling process, each of the systems were divided into four quadrants, and undisturbed soil core samples were collected at 0-20 and 20-40 cm depths to determine soil bulk density, macroporosity, microporosity and total porosity; disturbed soil core samples were collected at 0-5, 5-10, 10-20 and 20-40 cm depths to determine soil organic matter and carbon organic stocks. Pearson correlation was applied to evaluate significant interactions among the results. Floristic and phytosociological attributes varied considerably between agroforestry systems. In general, the agroecosystems showed soil physical attributes close to or below the values considered critical for root growth. Favorable soil structure and denser arrangements resulted in higher amounts of organic matter and organic carbon in the soil.Keywords: agroecosystems, soil physics, carbon stocks, sustainable rural development.
Symbolic methods and automata

In addition to being useful mathematical objects, automata can be employed as actual data structures. In this chapter, we use automata for symbolically representing sets of values over a given (generally infinite) domain D. The aim is thus to describe subsets of D, without ambiguity, using finite-state machines. Note that a data structure that only admits a countable number of possible instances will never be able to represent all the subsets of an infinite domain. In most cases, the symbolic representation will need to be expressive enough to cover a class of sets that is deemed to be useful for the considered application. Additional requirements include the possibility of building representations of elementary sets from their description, and performing operations of interest on the represented sets. A finite automaton can be seen as a data structure that provides a symbolic representation of its accepted language. In order to use automata as symbolic representations of sets over a domain D, a natural idea is to define a mapping from the elements of D to the words read by the automata [8]. This mapping needs to be unambiguous, in the sense that every word can only correspond to at most one value in D. In this way, a set X D is mapped onto a language that precisely describes its elements, and a finite automaton that accepts this language can be seen as a symbolic representation of X .
Development and investigation of the applicability of microstructural models for polymeric low density foams directly obtained from computed tomography data

Nowadays, there are several methods to obtain simulation models for foams which consider important microstructural features. This research study presents a method to obtain low density foam models directly from computed tomography (CT) data. Finite element meshes are created from CT measurement results of a polypropylene extrusion foam with two different densities. Sensitivity studies with regard to the tension behaviour are performed with the microstructural models. The study shows that the tension behaviour highly depends on the examined area of the foam because the microstructure and density vary through the foam. Furthermore, the simulation results are validated with experimental results. The validation shows that the tension behaviour of the investigated foams characterised by the simulation approach is in good agreement with the experimentally observed behaviour and that specific microstructural characteristics (e.g. anisotropic cell shapes) are captured in the model.
Visible-to-Near-Infrared Light-Driven Photocatalytic Hydrogen Production Using Dibenzo-BODIPY and Phenothiazine Conjugate as Organic Photosensitizer

A novel visible-to-near-infrared (visible-to-NIR) light-driven photocatalyst was prepared by loading a dibenzo-BODIPY-phenothiazine conjugate dye 1 as a panchromatic photosensitizer on hierarchical porous TiO2 (HPT) semiconductor. The sensitizer 1, which absorbed visible light at 638 and 440 nm with molecular extinction coefficients (e) of 1.23 × 105 and 1.80 × 104 M–1 cm–1, respectively, in THF due to the dibenzo-BODIPY and phenothiazine-based D−π–A systems, respectively, showed panchromatic absorption up to 780 nm when deposited on the Pt/HPT photocatalyst to produce Pt/HPT500/1. The photocatalytic activities were investigated in the presence of ascorbic acid as a sacrificial agent in phosphate buffer solution under irradiation with λ > 400 nm using a 300 W Xe lamp at 100 mW cm–2 light intensity. After 10-h irradiation, the system achieved a remarkable catalytic activity for the production of H2 with a turnover number (TON) value of 11100. The sustained activity was suggestive after two sequences of 10-.
Powder X-ray diffraction of bendamustine hydrochloride monohydrate, C16H22Cl2N3O2Cl·H2O

Bendamustine hydrochloride monohydrate (marketed as Treanda®) is a nitrogen mustard purine analog alkylator used in the treatment of chronic lymphocytic leukemia (CLL) and non-Hodgkin lymphomas. Commercial bendamustine hydrochloride monohydrate crystallizes in the monoclinic space group P21/c (14), with a = 4.71348(4) Å, b = 47.5325(3) Å, c = 8.97458 (5) Å, β = 96.6515(8)°, V = 1997.161(23) Å3, and Z = 4. A reduced cell search in the Cambridge Structural Database yielded a previously reported crystal structure (Allen, 2002), which did not include hydrogens (Reck, 2006). In this work, the sample was ordered from Santa Cruz Biotechnology, and analyzed as received. The room-temperature crystal structure was refined using synchrotron (λ = 0.413896 Å) powder diffraction data, density functional theory (DFT), and Rietveld refinement techniques. Hydrogen positions were included as part of the structure, and recalculated during the refinement. The diffraction data were collected on beamline BM-11 at the Advanced Photon Source, Argonne National Laboratory. Figure 1 shows the powder X-ray diffraction pattern of the compound. The pattern is included in the Powder Diffraction File as entry 00-064-1508.
High-Solid Anaerobic Digestion: Reviewing Strategies for Increasing Reactor Performance

High-solid and solid-state anaerobic digestion are technologies capable of achieving high reactor productivity. The high organic load admissible for this type of configuration makes these technologies an ideal ally in the conversion of waste into bioenergy. However, there are still several factors associated with these technologies that result in low performance. The economic model based on a linear approach is unsustainable, and changes leading to the development of a low-carbon model with a high degree of circularity are necessary. Digestion technology may represent a key driver leading these changes but it is undeniable that the profitability of these plants needs to be increased. In the present review, the digestion process under high-solid-content configurations is analyzed and the different strategies for increasing reactor productivity that have been studied in recent years are described. Percolating reactor configurations and the use of low-cost adsorbents, nanoparticles and micro-aeration seem the most suitable approaches to increase volumetric production and reduce initial capital investment costs.
Random-Parameters Behavioral Models to Investigate Determinants of Perceived Safety in Railway Stations

Recent studies have highlighted the existence of a gap between actual and perceived safety and have shown that feelings of insecurity can affect individuals’ travel behavior before and during the journey. In this paper, a methodology is proposed for assessing determinants of travelers’ perception of safety and security in railway stations. The methodological approach includes focus groups, stated preference (SP) surveys, and the estimation of behavioral models with fixed parameters (Binomial Logit) and random parameters (Mixed Logit). The estimation results for a medium-sized railway station (Frosinone, Italy) confirmed that safety and security measures are not equally perceived by individuals and the use of random-parameters models leads to more robust estimates. The proposed modeling approach allows the identification of the interventions that should be prioritized to increase travelers’ perceived levels of safety, highlighting those factors, such as, for the considered case study, the presence of security personnel and the level of decorum and maintenance, which are perceived by users as more important than others (e.g., surveillance cameras).
Determining soil organic carbon concentration in agricultural fields using a handheld spectroradiometer: Implication for soil fertility measurement

The soil organic carbon (SOC) plays a vital role in plant growth and development, and therefore is considered as one of the most important indicators of soil quality. This study was carried out in the central region of Saudi Arabia to explore the potential of spectroscopy in determining the SOC concentration in low-fertility soils. Spectral reflectance data were collected, under the controlled laboratory conditions on 39 air-dried 2.0 mm sieved soil samples, using a handheld spectroradiometer of a wavelength range between 350 nm and 2500 nm in the direct contact probe mode. The concentration of the SOC was determined using the Walkley and Black (W&B) and the UV-VIS spectrophotometric methods. The increase in the concentration of SOC was associated with a decrease in the corresponding spectral reflectance. Regression analysis showed linear relationships with high significant correlation between the spectral reflectance and the SOC measured by both the UV-VIS (Model-1: R2=0.46, p=0.00015 and RMSE=6.6 g/kg) and the W&B (Model-2: R2=0.48, p=8.92E-05 and RMSE= 2.8 g/kg) methods. For these models, two wavebands with wavelengths of 2167 nm (Model-1) and 1359 nm (Model-2) were identified as the most sensitive bands to the SOC concentration. The cross-validation confirmed the validity of Model-1 with R2, p and RMSE values of 0.50, 0.0099 and 6.6 g/kg, respectively. The validation results of the Model-2 showed values of R2, p and RMSE of 0.72, 0.00023 and 4.0 g/kg, respectively. Results of this study revealed the possibility and the potential of using the spectral reflectance technique in predicting the concentration of SOC. Keywords: soil fertility, organic carbon, modeling, spectroscopy, reflectance DOI: 10.25165/j.ijabe. 20181106.4061 Citation: Tola E, Al-Gaadi K A, Madugundu R, Kayad A G, Alameen A A, Edrees H F, et al. Determining soil organic carbon concentration in agricultural fields using a handheld spectroradiometer: Implication for soil fertility measurement. Int J Agric & Biol Eng, 2018; 11(6): 13–19.
Effect of Temperature, Water Content and Velocity on the Quality of Virgin Olive Oil Extracted through Three-Phase Centrifuge

Olive is a fruit rich in oils with beneficial properties. Two important factors for assessing olive oil are free fatty acids and peroxide quality. Nowadays, due to the progress in the food industry, machinery equipment has grown. The most important part of the processing line is the decanter. In order to reach a quality oil, it is necessary to pay attention to some indicators related to the machine operations. In this research, the effect of temperature of malaxer (three levels of 30, 45 and 60 °C), the amount of water injected into olive pomace (that water content reach to 10, 20 and 30%) and velocity of the rotary cylinder (three levels of 2000, 2500 and 3000 rpm) on the amount of free fatty acid and peroxide value of olive oil that extracted from the 3-phase decanter was evaluated. According to the obtained results, the amount of acidity and peroxide of olive oil is inversely proportional to the velocity of the decanter and is directly related to the temperature of the mixer encasement and content of water.
Biofilm and Biosurfactant Mediated Aromatic Hydrocarbons Degradation by Marine Bacteria Isolated from Contaminated Marine Environments of Niger Delta

Aims: To examine the effects of biofilm and biosurfactant associated cells of marine bacteria isolated from contaminated marine environments of Niger Delta on aromatic hydrocarbon degradation. Study Design: Nine treatments and the controls designs were set up in triplicates containing 100 mL of sterile modified mineral basal medium in 250 mL conical flasks supplemented with 50, 100, 200 and 300 ppm of xylene, anthracene and pyrene each and nine marine hydrocarbon degraders; incubated at 24°C for 5 - 7 days. The nine treatments and control set ups designated as ANT1, XYL2, PYR3, ANT4, PYR5, ANT6, XYL7, XYL8, PYR9 and CTRL (without hydrocarbons) were used to examine the effects of biofilm and biosurfactant produced by the marine bacteria on aromatic hydrocarbon degradability. Place and Duration of Study: Department of Microbiology, Chukwuemeka Odumegwu Ojukwu University, Uli Nigeria between September, 2014 and August, 2017. Methodology: A laboratory scale study was carried on six composite samples of the sediment and water samples from the three studied areas using enrichment, selection, morphological, biochemical, growth effect, emulsification, surface tension, bacterial adherence to hydrocarbon (BATH), salt aggregation (SAT) and microtitre plate biofilm formation tests. Results: The findings revealed that the three sampling sites harbour a lot of efficient aromatic degrading bacterial strains belonging to the genera: Providencia, Alcaligenes, Brevundimonas, Myroides, Serratia, and Bacillus able to significantly (P = .05) degrade the aromatic hydrocarbons. Significant positive correlation between biofilm formation and emulsification activity (r = 0.670; P = .05), was observed while surface tension (r = 0.134; P > .05), BATH (r = 0.142; P > .05) and SAT (r = 0.227; P > .05) had no significant positive correlation with biofilm formation. Conclusion: Thus, the metabolic traits potentials of these strains could be exploited for in situ bioremediation intervention in the coastal areas of Nigeria.
Identifying Trends in Gold Nanoparticle Toxicity and Uptake: Size, Shape, Capping Ligand, and Biological Corona

The drive behind the growing interest in understanding gold nanoparticle (AuNP) cytotoxicity originates from the promise of AuNPs for diverse biological applications across the fields of drug delivery, biosensing, biological imaging, gene therapy, and photothermal therapy. Although we continue to investigate the novel biomedical applications of AuNPs, progress is currently stalled at the periphery of understanding the forces that govern critical nano–bio interactions. In this work, we systematically probe the size, shape, and surface capping effects of nanogold by designing a set of eight unique AuNPs. This allowed us to undertake a systematic study involving each of these parameters in the context of their influence on the cytotoxicity and cellular uptake by human prostate cancer cells (PC3) as a model biological system. While studying the influence of these parameters, our study also investigated the influence of serum proteins in forming different levels of biological corona on AuNPs, thereby further i.
Structural evolution and dislocation behaviour study during nanoindentation of Mo20W20Co20Ta20Zr20 high entropy alloy coated Ni single crystal using molecular dynamic simulation

ABSTRACT In this present study, deformation behaviour of Mo20W20Co20Ta20Zr20 high entropy alloy (HEA) coated single crystal (SC) nickel (Ni) subjected to nanoindentation test have been investigated to study the mechanical properties and underlying mechanism during nanoindentation test using molecular dynamics (MD) simulation with embedded atom method (EAM) potential. Centro-Symmetry Parameter (CSP) Analysis and Radial Distribution Function (RDF) plots are obtained to get insight of structural evolution during nanoindentation and thereby determine the underlying physics of deformation. During nanoindention test Stacking faults (SFs) formation, dislocation generation, dislocation loops, Lomer–Cottrell (LC) lock and Hirth lock formation due to dislocation-dislocation interaction are observed. At higher indentation depth, formation of dislocation loops is augmented, which indicates nanoindentation deformation is found to be Stacking Fault dominated deformation. The accumulation and relaxation of shear stress near indenter tip at the time of deformation process under nanoindentation test causes the variation of dislocation density, strain hardening, and plastic deformation, which is influenced by the formation of dislocation barriers (LC and Hirth locks) and dislocation loops (shear and prismatic loops).