Miracle-dz/UniFAR-FTUs huggingface dataset:
Structure and Reactions of Aliphatic Bridged Bifunctional Radical Ions: Exploring Fine-Tuning in Radiation Chemistry

Bridged bifunctional molecules of general structure X(CH2)nY are useful models for investigations into the effects of intra- and intermolecular interactions in primary radiation-induced processes, with a number of implications for radiation chemistry, radiobiology, and molecular electronics. This short Review presents an outline of recent studies on the structure and reactivity of aliphatic bifunctional radical ions in low-temperature matrices using EPR spectroscopy and quantum-chemical calculations. Both EPR data and DFT calculations for radical cations show that the delocalization of charge and spin density occurs if XY or X and Y have close electronic properties. If the difference in the ionization potentials between X and Y is large, localized radical cations are observed with ground-state properties close to those of the corresponding monofunctional species. Nevertheless, the remote second functional group may affect the photochemistry of such radical cations at a specific bridge length, probably due to intramolecular interactions in a certain conformation. The stabilization of bridged bifunctional radical anions containing two carbonyl groups was found to be very sensitive to the local environment, which may be described in terms of a microsolvation model at the MP2 level of theory. Two independent reactions pathways with excess electrons, yielding different types of localized radical anions, were demonstrated for asymmetrical bifunctional molecules. The obtained results and their implications are discussed in terms of fine-tuning effects in radiation-induced chemical processes in condensed phases.
Polyoxymethylene‐homopolymer/hydroxyapatite nanocomposites for biomedical applications

In this article, new polyoxymethylene (POM)/hydroxyapatite (HAp) nanocomposites for bone long-term implants have been obtained and characterized by using FTIR, WAXD, SEM, TG, DSC, tensile tests, and in vitro evaluation. Characteristic bands both for extended chain crystals (ECC) and folded chain crystals (FCC) were observed in FTIR profiles for both pure POM and POM in POM/HAp nanocomposites. From WAXD analysis it has been found that the addition of HAp does not change the hexagonal system of POM in POM/HAp nanocomposites. Moreover, degree of crystallinity of POM increases with an increase of HAp content up to 1.0% and next decreases with an increase HAp content. It indicates that HAp nanoparticles up to 1.0% content act as effective nucleating sites. Mechanical tests revealed that Young's modulus increases, whereby, elongation at break and tensile strength decrease with increasing hydroxyapatite concentration. Results of in vitro investigations show that an increase of HAp content in POM nanocomposites facilitates formation of apatite layer on the sample surface and improves in vitro stability POM/HAp nanocomposites. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Structure of the stretching field in chaotic cavity flows

Stretching of material elements in time-periodic cavity flows is investigated numerically. The spatial structure of the stretching field is determined not only by nonchaotic islands and by unstable manifolds of hyperbolic periodic points, but also by singularities of the flow field at the cavity corners. For the short time scales interesting to most mixing applications, regions of very high stretching (good local mixing) are determined by unstable manifolds that pass close to the corners of the cavity. Low stretching (poor local mixing) regions are usually found both inside and near islands. In some cases, however, the unstable manifolds wrap themselves around the islands, preventing the formation of segregated low stretching subregions within the chaotic region.
Seed Iron in Diverse Soybean Genotypes

ABSTRACT Iron (Fe) in the embryo fraction of soybean (Glycine max L.) seed is important for seedling growth. Seed Fe accumulation in 27 soybean genotypes differing in seed size was studied at two field locations. Mean seed weight was 148 mg seed−1 with mean individual genotypic values ranging from 68 to 217 mg seed−1. Percentage of total seed dry matter in the seed-coat fraction, which was inversely correlated with individual seed weight, was 8.2%, with mean individual genotypic values ranging from 7.0% to 12.4%. Mean seed-Fe concentration [Fe] was 65 μg Fe g−1, with individual genotypic values ranging from 48 to 81 μg Fe g−1. Seed Fe relative to dry-matter distribution was much more concentrated in seed coats than in embryos of all genotypes. Mean percentage of total seed Fe located in the seed-coat fraction was 29%, with mean genotypic values ranging from 23% to 38%. Neither seed-Fe characteristic was correlated with individual seed weight. Seed [Fe] was not correlated with seed-manganese (Mn) concentration [Mn]. Mean seed [Fe] for the 27 genotypes was different at the two locations, presumably due to differences in available soil Fe. Both genotype and environment affected seed [Fe] of soybean. Soybean seed coats, a major by-product after oil extraction, are a possible rich source of Fe for human nutrition.
Post-discharge gas composition of a large-gap DBD in humid air by UV–Vis absorption spectroscopy

Large gap dielectric barrier discharges (DBD) provide non-thermal, non-equilibrium plasmas that can generate specific gas chemistry with enhanced bactericidal effects when working in humid air. The present study investigates the post-discharge gas composition of such plasmas operated in humid air using UV–Vis (200–800 nm) absorption spectroscopy. Absorbance spectra have been de-convoluted using direct deconvolution and iterative methods and results are correlated to the DBD electrical parameters. The high-voltage (56 and 70 kV rms) DBD plasma generated at 50 Hz frequency in a closed container over a 20 mm gap in air with relative humidity (RH) of 5–70% has been characterized by I–V and capacitive methods. The post-discharge gas composition at each RH is assessed by UV–Vis absorption spectroscopy for plasma exposure times of 15–120 s. The concentration of ozone and nitrogen oxides (O3, NO2, NO3, N2O4) increases with plasma exposure time but a strong decrease in [O3] levels is obtained with increase in RH. The decrease in [O3] and an abundance of nitrogen oxides is ascribed to high specific power densities in the closed container and to increasing RH levels. The absorbance residual following deconvolution shows a strong band at 230–270 nm consistent with the presence of pernitric acid (HNO4) and other HNOx (x = 1, 3) species. Humid air large gap DBD plasmas in closed containers generate along with O3, high levels of nitrogen oxides and HNOx (x = 1, 4) acids leading to increased bactericidal rates.
Studies on Chemical Constituents of Exocarpium Citri Grandis Volatile Oil

Simultaneous distillation extraction (SDE) was coupled with gas chromatography-mass spectrometry (GC-MS)for separation of volatile oil from exocarpium citri grandis, a traditional Chinese medicine. The volatile oil compounds were quantified by the accuracy of area percent. It was separated into 143 components, among which 49 were identified, accounting to about 94.5% of the total volatile oil components. The main components are limonene (75.8%) and palmitic acid (3.8%).
Coping with distress among adolescents: Effectiveness of personal narratives on support websites

Sharing, reading and responding to personal narratives on peer-to-peer support websites may provide adolescents with informational and emotional support to feel more confident in coping with stressful events. However, their use may also pose a threat to adolescents’ coping self-efficacy. Principles of expressive writing, social sharing of emotions, narrative persuasion and self-effects may provide insight in how these actions may both positively and negatively relate to coping self-efficacy. By using a cross-sectional online survey with 311 Dutch-speaking adolescents between the ages of 14 and 18, this article explores how these actions and social support motives (i.e. information-seeking and emotional support-seeking) are related to adolescents’ perceptions about the usefulness of these websites to their coping self-efficacy. The results showed a positive relation between adolescents’ social support motives and their belief in the usefulness of these websites to their coping self-efficacy. Therefore, we conclude that it may be an effective coping strategy for many adolescents. There was a negative relation between experience with sharing a personal narrative and coping self-efficacy, meaning that these users did not perceive the website to be helpful to their overall confidence in coping with stressful events. However, this negative relation was reversed when they were motivated to find emotional support with similar others. Compartir, leer y responder a narraciones personales en webs de apoyo entre iguales puede tanto fortalecer como amenazar la confianza de los adolescentes para hacer frente a los acontecimientos estresantes (es decir, la autoeficacia como estrategia de afrontamiento). Los principios de la escritura expresiva, el intercambio social de emociones, la persuasión narrativa y los efectos en uno mismo pueden proporcionar información sobre la forma en que esas acciones pueden relacionarse con la autoeficacia como estrategia de afrontamiento. Mediante una encuesta transversal en línea con 311 adolescentes de habla holandesa de entre 14 y 18 años, este artículo explora cómo estas acciones y los motivos del apoyo social (es decir, la búsqueda de información y la búsqueda de apoyo emocional) se relacionan con la autoeficacia de los adolescentes como estrategia de afrontamiento tras usar la web de apoyo entre iguales. Los resultados muestran que la experiencia de los usuarios al leer y responder a narraciones personales no estaba relacionada con su autoeficacia de afrontamiento. Sin embargo, se encontró una relación negativa entre la experiencia de compartir una narración personal y la autoeficacia, por lo que los usuarios no percibieron que el sitio web fuera útil para su confianza general a la hora de hacer frente a acontecimientos estresantes. No obstante, esta relación negativa se invirtió cuando también tenían el objetivo de encontrar apoyo emocional con sus iguales.
Superpixel-Oriented Classification of PolSAR Images Using Complex-Valued Convolutional Neural Network Driven by Hybrid Data

Recently, convolutional neural networks (CNNs) have been successfully developed and used in the classification of polarimetric synthetic aperture radar (PolSAR) images. However, they often suffer from some problems, such as time-consuming, unsatisfactory detail-preservation, and bad effectiveness given limited training samples. Focusing on these problems, we propose a complex-valued CNN (CV-CNN)-based algorithm for PolSAR image classification in this article. On the one hand, a superpixel-oriented (SPO) scheme is employed to reduce the computational cost of the algorithm and preserve image details simultaneously, which takes superpixels instead of single pixels as classification units. In particular, to meet the input requirement of CV-CNN, three alternative methods of superpixel regularization are designed and compared. On the other hand, considering that both measured data (MD) and manually designed polarimetric features (PFs) have their own advantages, the hybrid data (HD) combining them is employed to drive CV-CNN, which is helpful to improve the effectiveness of the algorithm. We perform experiments on three actual PolSAR image data sets acquired by AIRSAR and Radarsat-2 systems as well as a semisimulated data set. The experimental results demonstrate that, compared to conventional pixel-oriented methods, the proposed SPO scheme is much more time-efficient and is also beneficial to detail preservation. Moreover, the CV-CNN driven by HD generally obtains consistently better classification results than that driven by pure MD or manually designed PFs.
A feasibility study of an artificial gravity system

Future crewed space exploration targets ambitious and distant destinations, requiring long duration missions that may largely affect the astronauts’ health condition. To limit these effects, spacecraft will require additional solutions for the support of human safety, health and quality of life. Among those, artificial gravity might introduce a disruptive development to allow manned space exploration to achieve broader frontiers, reducing bone and muscle deterioration, motion sickness
Influence of growth conditions on the results obtained in algal toxicity tests

The influence of test conditions on results from algal growth inhibition tests was investigated for the toxicants atrazine, 3,4‐dichloroaniline, 3,5‐dichlorophenol, and potassium dichromate. Emphasis was put on the following four main factors: light, temperature, nitrogen source, and pH. The green alga Selenastrum capricornutum was grown in batch cultures, and the toxic response was measured as reduction in average growth rate, relative to controls. Multifactor experiments were carried out to investigate the effects of the above four factors as well as the interactions between them: light intensity (44 and 198 μE/m2/s), temperature (16 and 26°C), nitrogen source (NH +4 and NO −3 ), and pH of the medium (7.5 and 8.6). Within the data set generated, the highest and lowest median effective concentration estimate differed by a factor of 3.8. The sensitivity of the test system to 3,4‐dichloroaniline, potassium dichromate, and 3,5‐dichlorophenol was less under light limitation than under light saturation. Conversely, with the photosynthetic inhibitor atrazine a reduced sensitivity was found at high light intensity, which, however, was high enough to cause slight photoinhibition. The inhibitory response to the weak organic acid 3,5‐dichlorophenol was less at the high than at the low pH level, which stems from the fact that neutral species of ionizable compounds are usually more toxic than charged species. No effect of the nitrogen source on inhibitory responses could be ascertained, and temperature influenced the results only indirectly by interacting with light (the saturation intensity increases with temperature). It is concluded that the light intensity in standardized algal toxicity tests could preferably be increased to achieve light‐saturated photosynthesis as this may potentially reduce test result variability.
Preparation of Mg-Al Hydrotalcite and Studies on Its Capability for NO_x Removal

Carbonate pillared magnesium aluminium hydrotalcite with molar ratio of MgtoAl of 3 was synthesized and characterized by Xray diffraction(XRD) and infrared spectra (IR). Adsorption and desorption of the magnesium aluminium hydrotalcite on NOx were studied. The results showed that adsorption capacity of the hydrotalcite for NOx was 1398.2 mg/g and was better than activated carbon's. MgAl hydrotalcites had not much difference in adsorption efficiency in three cycles when they were regenerated by thermal decomposition method. 
Development and Characterization of Co-Ni Alloys for Microsystems Applications

A chloride plating bath, containing boric acid and saccharin has been optimized to obtain homogeneous Co-Ni deposits over Si/SiO 2 /Ti/Ni substrate. The goal is to explore the synergy of these layers in microsystems applications. Anomalous codeposition occurs and both electrochemical and structural results indicate that obtained Co-Ni layers correspond to solid solutions of face-centered cubic (fee) structure, whose composition may be varied as a function of the electrodeposition parameters. Results of the electrochemical and magnetic characterization carried out are presented, showing the trends of a soft magnetic material, i.e. high saturation magnetization (1.2 T) and low coercivity. Smooth surfaces and a steady deposition rate were observed in the Co-Ni deposits on silicon-based unpatterned substrates. In order to check the versatility and the compatibility of this Co-Ni electrodeposition with the standard microsystems fabrication technology, two processes, surface- and bulk-technology based, have been carried out. Due to the high selectivity and homogeneity of the Co-Ni layer, it has been possible to pattern the deposits with a definition down to 10 μm, as well as to fabricate 3D structures, Methods to liberate the Co-Ni films from the silicon-based substrate have been developed; as a result, low-stressed freestanding structures are presented.
The Feasibility Study of Using PRB Technology to Remedy Acid Seepage Water from Uranium mill-tailings

The mixtures of power lime and cinder were used as PRB materials to study the feasibility of in-situ remediation of acid seepage water from uranium mill-tailings.The results showed that the effect the mixtures neutralize acid seepage water were well,the volumes which unit cubic centimeter mixtures of power lime and cinder which mass ratio is three to one,four to one and six to one neutralize acidic seepage water,pH was 2.94,was 2.23 L,1.66 L and 1.34 L,respectively.And showed the effect of removal of uranium was excellent,the uranium concentration of filtered water through the mixture was less than 0.1 mg/L when the pH value of filtered water was no less than 6.0,and was less than 0.05 mg/L when he pH value was no less than 7.0. In the course of test,the permeability of the mixture mass ratio was three to one decrease,the others had hardly changed.Hence,the mixture of power lime and cinder as PRB material to remedy acid seepage water from uranium mill-tailings is feasible to application.
A STUDY ON HYGROSCOPIC WATER CONTENT AND RESIDUAL WATER CONTENT OF SOIL

Hygroscopic water (HW) is the water adsorbed by the soil from the environment due to electromolecular surface forces and is greatly influenced by the relative humidity of the environment. On the other hand, the residual water content (RWC) is a key parameter of soil-water characteristic curve (SWCC) and is defined as the minimum water content below which there is no appreciable change in water content with suction. The SWCC is a graphical relationship between soil suction and water content (gravimetric or volumetric) and is inevitable in the study of unsaturated soil-mechanics. The determination of SWCC is a costly and time consuming process. There is a possibility of having a close relationship between HW content and RWC of soils as both the water contents are dependent on the specific surface are of soils. With this in view, HW content and RWC have been determined for ten soil samples. It must be noted that there are very few studies available in the literature on the correlation between hygroscopic water content and residual water content of soil. Hence, an attempt has been made to correlate hygroscopic water content of the soil with the residual water content. Such a correlation would be of great help in predicting the RWC of soil by knowing its HW content.
Postseismic Deformation Following The 2010 Haiti Earthquake: Time-Dependent Surface Subsidence Induced By Groundwater Flow In Response To A Sudden Uplift

In this study we use Interferometric Synthetic Aperture Radar (InSAR) observations acquired by the TerraSARX (TSX) and the ALOS satellites to detect and characterize postseismic deformation induced by the 2010 Haiti earthquake. We obtained 8 TSX and 7 ALOS scenes covering the eastern portion of the earthquake rupture area, from before and after the earthquake. Interferometric data processing identified an elongated area of postseismic subsidence at the northeastern extent of the Leogane delta. The deformation is timedependent and occurred in the first 45 days after the earthquake. We suggest that the deformation occurred due to sediment compaction in the near-coast end of the delta in response to groundwater flow, as the groundwater table adjusted to new hydraulic conditions imposed by the sudden uplift of the delta by 60-80 cm with respect to unchanged sea level. These observations suggest a new mode of postseismic deformation: it occurs in the very shallow part of the crust (upper few meters) and is very different from the other three known postseismic deformation mechanisms (afterslip, viscoelastic relaxation and poroelastic response), which occur within deeper crustal levels (1-30 kilometers).
Synthesis and Degradation of Poly(Lactic Acid-co-L-Tyrosine)

Based on the fact that the polylactic acid (PLA) has high crystallinity and poor hydrophilicity and its degradation products are known to induce inflammatory reactions, tyrosine could be introduced in the chain of polylactic acid to enhance its poperties. The new copolymers poly(lactic acid-co-L-tyrosine) (PLA-co-Tyr) were synthesized via direct melt polycondensation with lactic acid (D,L-LA) and L-tyrosine (Tyr) as raw materials and SnCl2 as catalyst, using the linear heating method. The copolymers were characterized by viscosity-average molecular weight, FT-IR, 1H-NMR, GPC, DSC, and XRD. The degradation experiment of PLA-co-Tyr was carried out in phosphate buffer solution (PBS) at 37°C using PLA as the control sample. Scanning electronic microscopy (SEM) was used to analyze the results of degradation.The results demonstrate that with reaction conditions of 170°C and 500 Pa and with 0.4 wt. % SnCl2, 10 h of polymerization gave the PLA-co-Tyr with the largest average molecular weight of 2900 g/mol, which appears to meet the requirements necessary for a drug delivery applications. Compared with PLA, it has lower Tg and lower crystallinity. The copolymer has good thermal stability and superior performance against degradation.
Facile regio- and stereo-specific allylic oxidation of gem-dimethyl olefins via addition of benzenesulphenyl chloride. Synthesis of allylic oxygenated terpenes

Novel and facile terminal trans-allylic and internal allylic oxidations of the gem-dimethyl olefin terminus of the terpenoids (1) are described which take place site-, regio-, and stereo-specificially via the same intermediate adduct between benzenesulphenyl chloride and (1). By this method, the allylic oxygenated terpenes (±)-nuciferal (11), (±)-ar-turmerone (12), (±)-ipsdienol (3c), neotorreyol (2e), (±)-6-hydroxydendrolasin (3e), and 6-oxodendrolasin (14) were synthesized.
The 2013 severe haze over the Southern Hebei, China: PM2.5 composition and source apportionment

PM2.5 samples were collected and analyzed for the first time in Handan City, which was listed in the top 4 polluted cities in China, during December 2012 to January 2013 when the record–breaking severe haze pollution happened. Positive Matrix Factorization method (PMF) was applied to understand major sources to the severe haze pollution over this city. The daily average concentration of PM2.5 was 160.1 μg m –3 , which was 2.1 times of the National Ambient Air Quality Standards of China (Class II, Annual Average Level) for daily average PM2.5 of 75 μg m –3 . SO4 2– was the most abundant ion (15.4%), followed by NH4 + and NO3 – . They accounted for 39.5% of PM2.5. Eight factors were identified by positive matrix factorization (PMF) model. The major sources were coal combustion source (25.9%), secondary source (21.8%), industry source (16.2%), Ba, Mn and Zn source (12.7%), motor vehicle source (7.7%), road dust source (10.9%), K + , As and V source (6.3%) and fuel oil combustion source (2.5%). The mean value of extinction coefficient (Bext) was 682.1 Mm –1 and