Miracle-dz/UniFAR-FTUs huggingface dataset:
Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region

Designing small molecules with large two-photon absorption cross sections is urgently needed. In the present work, six novel chalcone thiophene derivatives were obtained by tuning the terminal electron-withdrawing/donating groups rationally. Their structure–property relationship was investigated both experimentally and theoretically. Crystallographic studies revealed that structural diversity was mainly influenced by ethyloxy groups. Both the alternation of electron-withdrawing/donating groups and the polarity of different solvents had a considerable influence on their photophysical properties. The results of UV-vis and one-/two-photon excited emission spectra showed that the high polarity solvents increased the quantum yields (Φ) and two-photon absorption cross-sections (σ) of type C chalcones, while they decreased those of type OC chalcones. It should be highlighted that as they are small molecules, favorable Φ and σ values were obtained. Finally, a preliminary attempt has been made in the biological imaging field, with satisfactory results that C-1 and OC-1 could locate uniformly in a cytosolic membrane-like system.
Study of the Kinetic Growth and Chemical Properties of Zn(O,S) Thin Films Deposited by CBD

In this paper, results concerning the influence of the synthesis conditions on the growth rate, surface chemistry and structural properties of Zn(O,S) thin films deposited from a chemical bath containing thiourea, zinc acetate, ammonia and sodium citrate are presented. Kinetic studies revealed that all reagents affect the growth rate. An approach to law rate of the growth process was also obtained. XPS (x-ray photoelectron spectroscopy ) analysis showed that during the CBD process, ZnS and Zn(OH)2 are formed. Beside, XRD (X-ray diffraction) measurements carried out to Zn(O,S) deposited by CBD on CuGaSe2 (CGS) films revealed that these films grow with a mixture of cubic and hexagonal structures.
Reproductive parameters of Thoroughbred mares reared in the national stud farm "Kabiyuk" in Bulgaria (retrospective analysis).

Vlaeva, R. , Lukanova, N. , Dimitrov, S. & Georgieva, S. (2019) Reproductive parameters of Thoroughbred mares reared in the national stud farm “Kabiyuk” in Bulgaria. Bulg. J. Anim. Sci., 25 (Suppl. 3), 116–119 The reproductive parameters of 51 Thoroughbred mares were studied during the period 1997-2010. A total number of 270 oestrus and reproductive cycles were included in the analysis. Thoroughbred horses are only allowed to mate naturally by traditional hand method. As a source of information was used the zootechnical documentation of the national stud farm. It was established that the reproductive traits subject to the recent study varied in wide ranges interval of foal heat (11.18±2.4031.00±19.92 days) and foaling-to-conception (13.00±3.00-57.00±29.69 days), number of oestrus cycles (1.16±0.38-1.87±1.28), mating of mares (2.80±0.83-3.89±2.40) and total born foals (2-20) per year, duration of oestrus (21.00±2.51-26.00±7.07 days) and heat (3.00±2.22-5.09±1.95 days). The positive correlations were found between duration of oestrus cycle with number of matings per year and duration of heat, duration of heat and number of matings per year, foaling-to-conception interval with number of foals and foaling-to-conception interval and number of oestrus cycles per year.
Nutrition for health and performance in cow/calf and feedlot operations

Nutrition has long been recognized as important for maintaining health, but recent research has more clearly established the link between dietary energy, protein, mineral, and vitamin concentrations and immune function, health, and ultimately production and performance. The focus of this session will be to review some of the most common nutritional challenges that practitioners will face when serving beef clients, and identify potential interventions with the goal of enhancing overall herd health and individual well-being and performance.
Food and feeding habit of Tor putitora of Mahakali River, Nepal

T.putitora is a sight feeder and can be categorized as column feeder, which at some stage resorts to bottom feeding as well. Depending upon the availability of food, the fish consumes a wide spectrum of dietary items varying from microscopic organisms and macrophytes to large number of insects and even small fishes. The feeding activities of T. putitora appeared to be good during pre-spawning (pre-monsoon) and post-spawning season while poor during monsoon or spawning season, which is directly related to the availability of food and maturation of gonads. The estimation of GSI (Gastro-somatic Index) also supported this fact. BIBECHANA 13 (2016) 115-125
Thermoelectric properties of SiGe whiskers

Background. Si1-xGex solid solution whiskers with low germanium content have maximum ratio of mobility to the phonon thermal conductivity, which is promising for thermoelectrics. Thermal conductivity of SiGe nanowires is lower than of bulk samples that is also prospective for improvement of thermoelectric figure-of-merit and development of high efficiency thermoelectric microconverters. The temperature behavior of Seebeck coefficient of Si1-xGex solid solutions whiskers in temperature range from 4.2 K to above room temperatures was studied. Peculiarities of whisker shape have been successfully used to determine their thermoelectric parameters, but these investigations were not conducted for SiGe solid solution whiskers. Objective. The aim of the paper is study of possible influence of Si1-xGex whisker geometry on their thermoelectric parameters. Methods. SiGe whiskers were grown by CVD method in closed bromide system. The 3ω method was used to determine the temperature dependence of the thermal conductivity of Si1-xGex (x = 0.01-0.05) whiskers in the temperature range 300-400 K. Resistance of whiskers was measured by a two-probe method. The resulting I-U characteristics of cross-shaped growths were used to determine the conductivity type of the whisker material. Results. Seebeck coefficient and resistance was shown to increase, while thermal conductivity to decrease when the whisker diameter drops from 100 to 10 μm, that is accompanied by a rise of figure of merit (up to 0.12 at 300 K). Use of the whiskers with large obliquity leads to a small increase (of about 10-15 %) of their Seebeck coefficient. Conclusions. Thermoelectric properties of Si1-xGex (x = 0.03) solid solution whiskers doped with B impurities to the concentrations 1⋅10–1⋅10 cm were studied in temperature range 300-420 K. An influence of the whisker morphology, in particular their diameters and obliquity, on Seebeck coefficient, thermal conductivity and resistance was investigated.
Analysis of bioactive components in Moutan Cortex by mesangial cell membrane immobilized chromatography

Moutan Cortex is a herb commonly used in the prescriptions on treating nephropathy.In order to analyze the bioactive compounds in Moutan Cortex,mouse renal mesangial cells were cultured and used to bind and separate components in Moutan Cortex extraction.The cells were washed to take away the unbounded components,then the dissociative compounds from mesangial cells were analyzed by UPLC.One compound which could interact with mesangial cells was found,and it was identified as paeonol.Therefore,we conclude that paeonol is the major bioactive compound in Moutan Cortex.
Design of ZnCdS Quantum Dots Loaded on Mesoporous Silica as a UV-Light-Sensitive Photocatalyst

The synthesis of ZnCdS nanomaterial in MCM-41 matrix has been realized by chemical synthesis among MCM-41, ZnCl2, and CdCl2 via an ion exchange method in aqueous solution. X-ray diffraction analysis (XRD), diffuse reflectance spectroscopy (DRS), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FT-IR) were used to characterize the products. Several parameters were examined, catalyst amount (0.1–6 g L−1), pH (3–12), and initial concentration of MB (0.16–3.2 ppm). The extent of degradation was estimated from the residual concentration by spectrophotometrically. The average size of ZnCdCl2 in MCM-41 nanostructure was obtained about 3 nm by TEM.
Surface Effect and Band-Gap Oscillation of TiO2 Nanowires and Nanotubes

We have presented a comprehensive investigation for the geometric, energetic, and electronic structures of the rutile TiO2 nanowire (NW) and nanotube (NT) by the first-principles calculations accompanied with the crystal orbital overlap population and the wave function analysis. Taking into account the surface interactions, we found that the geometry and stability of TiO2 NWs and NTs greatly depend on the surface structure with the size decreasing, which demonstrates the forming shape and structure. The competition between the surface-bonding effect and the quantum-confinement effect induces the oscillation behavior and the direct–indirect transition of the band gap of TiO2 NWs and NTs. These findings not only provide a new insight into the fundamental understanding of TiO2 nanostructures but also provide useful information to design TiO2 nanostructures for different applications.
Formation and Electrical Evaluation of a Single Metallized DNA Nanowire in a Nanochannel

A novel fabrication process was developed for a single silver nanowire using DNA metallization in a nanochannel, and the electrical properties of this nanowire were evaluated using electrochemical impedance spectroscopy. After being isolated using a nanochannel measuring 500 nm in depth and 500 nm in width, a single λDNA molecule was electrostatically stretched and immobilized between two electrodes separated by a gap of 15 μm by applying an AC voltage of 1 MHz and 20 Vp-p. Then, naphthalene diimide molecules terminally-labeled with galactose moieties were intercalated into the λDNA, and the reduction of silver ions along the λDNA led to its metallization with silver. Scanning electron microscopy observations revealed that two nanowires having different average widths of 154 nm and 250 nm were formed in two individual nanochannels. The nanowires showed the linear current-voltage characteristics, and their combined resistance was estimated to be 45.5 Ω. The complex impedance of the nanowires was measured, and an equivalent circuit was obtained as a series connection of a resistance and a parallel resistance-constant phase element circuit. Impedance analysis revealed that the nanowire included silver grain boundaries, and the bulk resistivity of silver grain was estimated to be 8.35×10−8 Ωm.
Differential cadmium stress tolerance in wheat genotypes under mycorrhizal association

ABSTRACT Arbuscular mycorrhizal (AM) fungi display efficient association with the land plants and is known to protect plants against various abiotic stresses including heavy metal stress. This work reports the synergistic effects of natural genotypic variation and AM association in cadmium (Cd) stress alleviation. Two genotypes of wheat viz. RAJ 4161 (resistant) and PBW 343 (sensitive) were subjected to different concentrations of Cd (0, 100, 200 and 300 mg Cd kg−1 soil) for 30 days. Cd application resulted in increased lipid peroxidation and decreased plant growth. However, AM inoculated RAJ 4161 displayed significantly higher ascorbate peroxidase (APX), catalase (CAT), glutathione reductase (GR) and superoxide dismutase (SOD) activity and calcium (Ca), iron (Fe)and zinc (Zn) concentration in plants. The coordination of increased antioxidant activity and high nutrient content in RAJ 4161 indicated better protective mechanism as compared to PBW 343.
QUANTUM-CHEMICAL MODELING OF CHLORINE-DOPED AND HYPERVALENT DEFECTS PARTICIPATION IN RECONSTRUCTION OF THE a-Se STRUCTURE*

The quantum-chemical modeling of the defects emerging at the implantation of chlorine molecules in a-Se network and their interactions with the basic structural elements as well as with the hypervalent configurations (HVC), which were found out earlier was carried out at the ab initio level with account of the electron correlation. The most typical position of chlorine atoms in amorphous selenium network was picked out. It has been shown that fragments with Se-Cl terminal bond are able to interact both with chains and with HVC creating new defects. Such complexes can change the bond directions in a local area and also they create additional levels in the band gap.
(Bi9)4[Bi3Pb9Br47]: Probing the limits of the concept “crystal”

Abstract The bismuth-rich subbromide Bi39Pb9Br47 = (Bi95+)4[Bi3Pb9Br47]20– was crystallized from a melt of bismuth, lead, and BiBr3. X-ray diffraction on several crystals revealed a (predominantly) monoclinic structure (space group C2/m, no. 12) with lattice parameters a = 18.832(1) Å, b = 18.961(1) Å, c = 36.355(2) Å and β = 97.51(1)°. The unit cell, which contains C4v-symmetric Bi95+ polycations and a complex bromido-plumbate(II)-bismuthate(III) framework, can be interpreted as one layer, which for the most part follows the tetragonal layer symmetry p4/mbm. The stacking of the layers along [001] lowers the symmetry of the structure. The high pseudosymmetry causes local disorder as well as twinning with partial pseudo-coincidence along the tetragonal c-axis. Due to small domain sizes diffuse scattering occurs. Weak maxima on the diffuse streaks can be assigned to an emergäing superstructure with a period of two layers and orthoärhombic symmetry, which corresponds to a repetitive polysynthetic twin with domain size of one unit cell only.
Growth monitoring and mortality risk in low birthweight infants: a birth cohort study in Burkina Faso

Background: Wasting and underweight in infancy is an increasingly recognised problem but consensus on optimum assessment is lacking. In particular, there is uncertainty on how to interpret anthropometry among low birth weight (LBW) infants who may be growing normally. This research aimed to determine growth of infants from birth to two months (around age of vaccination) and the mortality risk of underweight LBW infants compared to normal birth weight (NBW) infants at two and six months age. Methods: A secondary analysis of a birth cohort of 1103 infants in Burkina Faso was conducted. Anthropometry was performed monthly from 0 to 12 months. We assessed associations with mortality using Cox proportional hazards models and assessed discriminatory values using area under receiver operating characteristics curves. Results: Eighty-six (7.8%) children died by age one year, 26/86 (30%) and 51/86 (59%) within two and six months, respectively. At age two months, weight gain since birth did not better discriminate mortality risk than current weight-for-age (P=0.72) or mid-upper arm circumference (P=0.21). In total, 227 (21%) LBW infants had increased risk of mortality: adjusted hazards ratio (aHR) 3.30 (95%CI 2.09 to 4.90). Among infants who were underweight at two and six months, LBW infants (64% and 49%, respectively) were not at reduced risk of death compared to NBW infants (aHR 2.63 (95%CI 0.76 to 9.15) and 2.43 (95%CI 0.74 to 7.98), respectively). Conclusion: Assessing weight gain since birth does not offer advantages over immediate anthropometry for discriminating mortality risk. LBW infants who are later identified as underweight require care to help prevent mortality.
Morphology and Property of PVA/SiO_2-TiO_2 Hybrid Electrospun Fibers

The spin solutions of PVA/SiO2-TiO2 hybrid materials were prepared by sol-gel method with tetraethoxysilane(TEOS),tetrabutyl titanate(TBT)and poly(vinyl alcohol)(PVA),then fiber membranes were obtained by electrospinning.FTIR results show that hydroxyl in PVA condenses with hydroxyl of hydrolyzing TEOS and TBT;the hybrid electrospinning fiber membranes are linked by the form of network configuration.XRD result indicates that the degree of crystallinity of hybrid electrospun fiber membranes decline comparing with pure PVA electrospun fiber membrane.SEM pictures reveal that the diameter of the electrospun fibers increase and some curved fibers exist with the increasing(SiO2-TiO2)contents.UV-Vis measurements show that the ability is improving of shielding to ultraviolet with the adding of TiO2.TGA measurements suggest that the hybrid fiber shows better resistance to heat than pure PVA electrospun fiber.Water resistance and stability testing indicated that the hybrid fiber shows better water resistance and stability than pure PVA and PVA/SiO2 electrospun fiber.
Environmental Chemistry LANDFILL LEACHATE AS A MIRROR OF TODAY'S DISPOSABLE SOCIETY: PHARMACEUTICALS AND OTHER CONTAMINANTS OF EMERGING CONCERN IN FINAL LEACHATE FROM LANDFILLS IN THE CONTERMINOUS UNITED STATES

Final leachates (leachate after storage or treatment processes) from 22 landfills in 12 states were analyzed for 190 pharmaceuticals and other contaminants of emerging concern (CECs), which were detected in every sample, with the number of CECs ranging from 1 to 58 (median ¼22). In total, 101 different CECs were detected in leachate samples, including 43 prescription pharmaceuticals,22industrialchemicals,15householdchemicals,12nonprescriptionpharmaceuticals,5steroidhormones,and4animal/ plantsterols.ThemostfrequentlydetectedCECswerelidocaine(91%,localanesthetic), cotinine(86%,nicotinedegradate),carisoprodol (82%, muscle relaxant), bisphenol A (77%, component of plastics and thermal paper), carbamazepine (77%, anticonvulsant), and N,N-diethyltoluamide(68%,insectrepellent). ConcentrationsofCECsspanned7ordersofmagnitude,rangingfrom2.0ng/L(estrone)to 17200000ng/L(bisphenolA). Concentrationsofhouseholdandindustrialchemicalswerethegreatest(� 1000-1000000ng/L),followed by plant/animal sterols (� 1000-100000ng/L), nonprescription pharmaceuticals (� 100-10000ng/L), prescription pharmaceuticals (� 10-10000ng/L), and steroid hormones (� 10-100ng/L). The CEC concentrations in leachate from active landfills were significantly greater than those in leachate from closed, unlined landfills (p ¼0.05). The CEC concentrations were significantly greater (p<0.01) in untreated leachate compared withtreatedleachate. The CEC concentrationswere significantly greater in leachatedisposed to wastewater treatment plants from modern lined landfills than in leachate released to groundwater from closed, unlined landfills (p ¼0.04). The CEC concentrations were significantly greater (p ¼0.06) in the fresh leachate (leachate before storage or treatment) reported in a previous study compared with the final leachate sampled for the present study. Environ Toxicol Chem 2015;9999:1-13. Published 2015 SETAC. This article is a US Government work and is in the public domain in the United States.
The Effects of RMO and PMO on SMEs’ New Product Performance: The Moderating Role of Foreign Market Environment

In order to overcome the limitation of market orientation concept, Narver et al. (2004) have extended the original concept into two dimensions, responsive market orientation (RMO) and proactive market orientation (PMO), respectively. Yet, there has been very limited empirical studies that analyzed the differential effects of each market orientation on firm outcomes, especially in the Korean context. We analyze the impact of RMO and PMO on the new product performance in the perspective of SMEs and examine the moderating effect of external factors such as environmental uncertainty and market similarity. The results of this study show that both RMO and PMO have a significant positive effect on the new product performance of SMEs. Also, environment uncertainty shows a negative moderating effect on the relationship between RMO and new product performance, whereas it has positive moderation with PMO. This suggests that focusing on potential customers’ needs rather than current needs helps improve firm performance as the competitive environment surrounding the firm becomes more uncertain. Lastly, market similarity showed a positive moderating effect on the relationship between RMO and new product performance, but not on PMO.
Three-Dimensional Modeling of CANDU Nuclear Fuel Elements in Bowing Analysis

In this paper, deformations of CANDU fuel elements under the influence of temperature gradients in pellets are investigated using the three-dimensional thermo-elastic theory and surface-surface contact theory. In obtaining a 3-D solution, all solid components are first modeled using the nine-node harmonic elements. The sub-structuring technique is then utilized to deduce a set of linear complementary equations for which a robust contact algorithm may be employed to obtain an accurate solution. The finite element, sub-structuring and contact procedures are implemented in a computer code FUEL3D. For testing purposes, four simple case studies were conducted in this paper using the code. The numerical results are compared with those obtained using the analytical solutions and ANSYS. Excellent agreement is achieved for all test cases.
I. Die geometrische Bedingung für die Entstehung von Kombinationen

Fi». 4. Einleitung. Welches auch die wirklichen Faktoren sind, die bewirken, daß eine Kristallfläche beim Wachsen des Kristalles eine gewisse Grüße bekommt, so darf man behaupten: je kleiner die relative Wachstumsgeschwindigkeit einer Fläche ist, um so größer wird dieselbe. Die Wachstumsgeschwindigkeit wird senkrecht zur Fläche gemessen und bedeutet die Geschwindigkeit, mit der die Begrenzung des Kristalls beim Wachsen nach außen verschoben wird. Eine Kombination von zwei Kristall formen kann im a l l g e m e i n e n nur dann entstehen, wenn die Wachstumsgeschwindigkeiten derselben nicht zu viel voneinander abweichen. Im enlgegengesetzten Falle wird die eine Form vollständig unterdrückt. Ein näheres Studium zeigt, daß j e k l e i n e r d i e N o r m a l e n w i n k e l z w i s c h e n z w e i F l ä c h e n s i n d , u m so m e h r m ü s s e n d e r e n W a c h s t u m s g e s c h w i n d i g k e i t e n s i c h e i n a n d e r n ä h e r n , u m e i n e g l e i c h z e i t i g e E n t w i c k l u n g zu e r m ö g l i c h e n . Fig. 1 zeigt einen Schnitt senkrecht zur Kante der beiden Kristallflächensunds', deren Normalen einen Winkel α bilden. Innerhalb eines
Design of 2 × 8 Filtering Butler Matrix With Arbitrary Power Distribution

This brief reports a novel <inline-formula> <tex-math notation="LaTeX">$2 \times 8$ </tex-math></inline-formula> filtering Butler matrix with arbitrary power distribution. The filtering Butler matrix, composed of coupled resonators, provides arbitrary power division and 0° and 180° phase differences as well as a fifth-order bandpass filtering characteristic. The detailed design process and synthesis method for the <inline-formula> <tex-math notation="LaTeX">$2 \times 8$ </tex-math></inline-formula> filtering Butler matrix are reported. To validate the analysis, a <inline-formula> <tex-math notation="LaTeX">$2 \times 8$ </tex-math></inline-formula> filtering Butler matrix with unequal power division, operating at 2.4 GHz, is devised, manufactured, and measured. The results of the simulation and experimentation are matched very well. According to the measurement results, the array factors have been calculated to further verify the performance of the Butler matrix, which show a lower sidelobe level.
Stock assessment of the Queensland east coast redthroat emperor (Lethrinus miniatus)

Queensland’s redthroat emperor (Lethrinus miniatus) is a line caught fish forming a single population (stock) on the Queensland east coast. Redthroat emperor are protogynous hermaphrodites (born female, many later changing sex to male). They can grow to 3 kg and 20 years of age. This assessment builds on a previous assessment that estimated the stock was at 70% of unfished biomass in 2004. This stock assessment includes updates to the input data and methods. This stock assessment used a age structured population model with a yearly time step and length based selectivity. The annual data inputs included total fish harvest, standardised catch rates, length structures and conditional age at length data. The model used data from the anticipated start of fishing in 1945 to 2019. In 2019, the stock level was estimated to be 72% unfished biomass and at healthy levels.