Miracle-dz/UniFAR-FTUs huggingface dataset:
Unexpected Conformation of the Hydrogen Chloride Salt of [14]aneN4: An X-ray Structural Examination of [H2[14]aneN4H2]C14 and its Role in Organoaluminum Host-Guest Chemistry

Abstract The macrocyclic salt [H2[14]aneN4H2]Cl4 was prepared and its X-ray crystal structure was determined. The salt crystallizes in the orthorhombic space group Pnna with unit cell parameters a α 14.257(11), b α 7.796(5), c α 17.785(9) A3, V = 1976.8(2) A3, and D c α 1.28gcm-3 for Z α 4. Least-squares refinement based on 1086 observed reflections (I > 3[sgrave](I)) converged at R α 0.055 (R w α 0.075). The macrocyclic cation is in an unusual exodentate conformation. Additionally, the X-ray crystal structure of the uncomplexed macrocyclic tetradentate secondary amine [14]aneN4 was determined. The neutral macro-cycle crystallizes in the triclinic space group P1 with unit cell parameters a α 4.698(3), b α 8.683(5), c α 15.388(12) A, α α 90.63(6), β α 97.38(6), γ α 98.99(5)[ddot], V α 614.6(8) A3, and D c α 1.08 gem-3 for Z α 2. Least-squares refinement based on 1458 observed reflections (I >3[sgrave](I)) converged at R α 0.086 (R w α 0.116). The endodentate conformation of the neutral macrocycle is stabil.
Seed Priming With Plant Growth-Promoting Rhizobacteria Alleviate Salinity Stress In Wheat Plant

The objective of this paper was to study the effects of two strains of isolated plant growth-promoting rhizobacteria (PGPR) on physiological and biochemical changes of wheat leaves under salinity conditions. The sterilized seeds were soaked in distilled water (control) and Nutrient Broth liquid medium of Enterobacter cloacae and Bacillus cereus (inoculated treatment) for 2 hours. After 10 days of growth, seedlings were selected for salinity stress treatments (0, 100, and 200 mM NaCl). After 10 days of starting salinity treatments, plants were harvested. Results showed that wheat plant growth, chlorophyll content and catalase activity were reduced under salinity condition; however PGPRs pre-treatments improved them under stress condition. Salinity significantly increased phenolic, carotenoids, proline and sugars content and peroxidase activity. Moreover, inoculation of seeds by PGPRs increased them under salinity. Lipid peroxidation increased but ascorbate peroxidase activity decreased as a response of saline stress and PGPRs pretreatment of seeds reduced them. Salinity increased sodium content, and PGPRs pretreatments decreased sodium absorption under salt stress. Moreover, in this study, Enterobacter cloacae inoculation of seeds increased wheat plants magnesium and potassium content in control condition as well as under salt stress. Data of experiment showed that the priming with PGPRs which tested in the present study especially E. cloacae can promote plant growth and salt tolerance.
First-Principles Study of Nb Doping Effect on the Diffusion of Oxygen Atom in γ-TiAl

The effect of Nb doping on the diffusion of oxygen in γ-TiAl is studied by the use of first-principles. Our calculated results showed that the diffusion barriers of oxygen in γ-TiAl are increased by the Nb doping. And the effect of Nb doping dies down as the distance between the oxygen atom and doped Nb atom increases. Accordingly, the improvement of the poor oxidation resistance of γ-TiAl by Nb doping may be caused by suppressing the diffusion of oxygen atom in γ-TiAl.
Non‐invasive electrical measurements for the evaluation of the hydration state of the skin: comparison between three conventional instruments ‐ the Comeometer®, the Skicon® and the Nova DPM®

Some electrical properties of the skin may be related to the water content of the horny layer, and measurements of impedance and/or capacitance have been used to assess the hydration state of the skin surface. This study was designed to compare three commercially available instruments used in dermato‐cosmetic research, namely, the Corneometer CM 825, the Nova DPM 9003 and the Skicon‐200.
NMR studies of 1-palmitoyllysophosphatidylcholine in a cubic liquid crystal with a novel structure

2H, 14N, and I'P nuclear magnetic resonance (NMR) studies of the cubic liquid crystalline phase in the system 1palmitoyllysophosphatidylcholiie (PaLPC) and water have been performed. This phase is located between the micellar solution and the hexagonal phase in the binary phase diagram. In contrast to other hitherto studied cubic phases this one gives rise to an NMR spectrum which is a superposition of two signals; an isotropic, narrow peak and a broad, partially averaged anisotropic peak. It is found that the line shape and the relative intensity of the isotropic and anisotropic components stay constant upon a change in the water content or the temperature of the cubic phase. It is concluded that the structure of the cubic phase consists of two different categories of closed aggregates. From an analysis of the NMR line width in terms of the molecular motion in micellar aggregates it turns out that the experimental findings are compatible with a structure model composed of rodlike micelles arranged as in solid y 0 , and ,B-F2 at 50 K. In this structure rod-shaped aggregates, having an axial ratio of about 2, occupy the corresponding positions of the O2 and F2 molecules in the cubic unit cell. There is one micelle in each corner of the cell, one in the center, and two at each surface of the unit cell.
Study of the effect of Sn doping on the electronic transport properties of thin film indium oxide

High quality, low resistivity (2.6×10−4 Ω cm), 0.32‐μm‐thick amorphous and polycrystalline, pure and Sn‐doped, In2O3 films prepared by high density plasma‐assisted electron beam evaporation were used to investigate the effect of Sn doping on the electronic transport properties of this material. Amorphous films with high carrier density in the as‐deposited state showed no effect of Sn doping on resistivity (ρ), Hall mobility (μ), or carrier density (n) over the range 0 to 5.3 wt % Sn. After recrystallization by annealing in air at 180 or 250 °C for 20 min, n, μ, and ρ were seen to be strongly dependent on Sn concentration in the range 0 to 1.5 wt % with a decreasing effect of Sn doping in the range 1.5 to 5.3 wt %. The data presented in this study were analyzed based on charged and neutral impurity scattering models and suggest that increasing Sn concentration leads to the formation of defect complexes which act as scattering centers but which do not contribute carriers to the material.
Effect of Fenugreek Seeds By-produced meal on Growth Performance, Feed Utilization, Body Composition and Some Physiological Traits for Common Carp (Cyprinus Carpio).

This study was performed to investigate the effect of dietary supplementation with fenugreek seeds by-produced meal (FSM) on growth performance, feed utilization, body composition and some physiological traits of Common carp (Cyprinus carpio) with an average 10.6 ± 0.15g weights and 8.78± 0.14cm length. A 12-week feeding trial was conducted in 12 aquariums (75 – 60 – 45cm in diameters). Four experimental diets were formulated to containing 0% (Commercial diet), 10, 20 and 30% FSM byproduced. The results revealed that fenugreek seeds meal supplementation significantly enhanced the fish growth over the control group. Also, condition factor and survival rate were significantly increased with increasing FSM percentage in the diets up to 20%. Feed conversion ratio was significantly improved with increasing FSM up to 20% inclusion level. Fish feeding diets containing 20% FSM had significant increase in PER, whereas there was no significant difference in feed intake. Body protein and dry matter content was significantly increased with increasing FSM percentage in the diets until 20%, while the higher value of fat content was recorded with diet contained 10% fenugreek seeds. The higher significant plasma protein and lysozyme and lower plasma glucose was obtained in diet containing 20%. FSM. Fish fed control diet gave the higher value of plasma glucose and the lower value lysozyme, while Fish fed 30 % FSM provided the lower value plasma protein. It could be concluded that the dietary addition of 20% of fenugreek seeds byproduced meal enhanced the growth performance of Common carp.
Chemical preparation of conducting polyfuran/poly(2‐chloroaniline) composites and their properties: A comparison of their components, polyfuran and poly(2‐chloroaniline)

Conductive homopolymers and composites of poly(2-chloroaniline) (P2ClAn) and polyfuran (PFu) were synthesized chemically in hydrous and anhydrous media, and their properties were investigated. The polymers and composites were characterized by Fourier infrared spectroscopy, ultraviolet-visible absorption spectroscopy, thermogravimetric analysis, differential scanning calorimetry, scanning electron microscopy, magnetic susceptibility, and conductivity measurements. It was found that the PFu/P2ClAn composite is thermally more stable than both the P2ClAn/PFu composite and the homopolymers. It was determined from Gouy scale measurements that conducting mechanisms of homopolymers and composites are polaron and bipolaron in nature. It was observed that the conductivity and magnetic susceptibility values changed with a changing amount of the guest polymer in the prepared composites. The conductivity (3.21 × 10−2 S/cm) of the P2ClAn/PFu (55.8% m/m) composite was found to be higher than the conductivities of both homopolymers (σPFu = 1.44 × 10−5 S/cm; σP2ClAn = 1.32 × 10−3 S/cm). It was determined that the composites synthesized had different conductivities and morphological and thermal properties from changing synthesis order. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 2924–2931, 2003
Long-Term Effects of Straw and Manure on Crop Micronutrient Nutrition under a Wheat-Maize Cropping System

Management practices have significant effects on crop micronutrient contents. This study examined effects of applying chemical fertilizers of nitrogen (N), phosphorus (P), and potassium (K) (NPK), alone or supplemented with straw or manure, under a wheat-maize cropping system in a 18-year experiment, on the crops’ iron (Fe), manganese (Mn), copper (Cu), and zinc (Zn) contents throughout the crops’ development. The micronutrient contents of both wheat and maize were above critical values during vegetative development, but Zn contents of maize ear leaves were sub-sufficient under all treatments. The wheat grain Mn, Cu, and Zn contents were lower under fertilized treatments than in unfertilized controls. Nutrient balance calculations showed that NPK application alone or with straw resulted in deficits of the four micronutrients, but not application of NPK supplemented with manure. Hence, application of micronutrients, such as Zn, through organic or inorganic fertilizers is recommended for this cropping system.
Changes in Patterns of Physical Activity and Risk of Heart Failure in Newly Diagnosed Diabetes Mellitus Patients

Background Exercise is recommended for type 2 diabetes mellitus (T2DM) patients to prevent cardiovascular disease. However, the effects of physical activity (PA) for reducing the risk of heart failure (HF) has yet to be elucidated. We aimed to assess the effect of changes in patterns of PA on incident HF, especially in newly diagnosed diabetic patients. Methods We examined health examination data and claims records of 294,528 participants from the Korean National Health Insurance Service who underwent health examinations between 2009 and 2012 and were newly diagnosed with T2DM. Participants were classified into the four groups according to changes in PA between before and after the diagnosis of T2DM: continuously inactive, inactive to active, active to inactive, and continuously active. The development of HF was analyzed until 2017. Results As compared with those who were continuously inactive, those who became physically active after diagnosis showed a reduced risk for HF (adjusted hazard ratio [aHR], 0.79; 95% confidence interval [CI], 0.66 to 0.93). Those who were continuously active had the lowest risk for HF (aHR, 0.77; 95% CI, 0.62 to 0.96). As compared with those who were inactive, those who exercised regularly, either performing vigorous or moderate PA, had a lower HF risk (aHR, 0.79; 95% CI, 0.69 to 0.91). Conclusion Among individuals with newly diagnosed T2DM, the risk of HF was reduced in those with higher levels of PA after diagnosis was made. Our results suggest either increasing or maintaining the frequency of PA after the diagnosis of T2DM may lower the risk of HF.
CEOs’ Prosocial Behavior, Their Careers and Corporate Policies

This paper examines the associations of Chief Executive Officers’ (CEOs’) prosocial behavior with their career paths and corporate policies. Using individuals’ involvement with charitable organizations as a proxy for prosocial behavior, we find that prosocial individuals are promoted to CEOs faster than non-prosocial individuals. In addition, compared with firms with non-prosocial CEOs, firms with prosocial CEOs tend to have lower executive subordinate turnover, implement more employee-friendly policies, experience higher customer satisfaction, and engage in more socially responsible activities. We also find that firms with prosocial CEOs have higher firm value. These results are corroborated when we compare changes in corporate policies and firm value around different types of CEO turnovers: a prosocial CEO replacing a non-prosocial CEO versus other types of CEO turnovers. Our results thus suggest that prosocial CEOs are more likely to make corporate decisions that benefit a wide range of firm stakeholders.
Benchmark Calculations of Radiative Forcing by Greenhouse Gases

Changes in concentrations of greenhouse gases lead to changes in radiative fluxes throughout the atmosphere. The value of this change, the instantaneous radiative forcing, varies across climate models, due partly to differences in the distribution of clouds, humidity, and temperature across models and partly due to errors introduced by approximate treatments of radiative transfer. This paper describes an experiment within the Radiative Forcing Model Intercomparision Project that uses benchmark calculations made with line‐by‐line models to identify parameterization error in the representation of absorption and emission by greenhouse gases. Clear‐sky instantaneous forcing by greenhouse gases is computed using a set of 100 profiles, selected from a reanalysis of present‐day conditions, that represent the global annual mean forcing from preindustrial times to the present day with sampling errors of less than 0.01 W m−2. Six contributing line‐by‐line models agree in their estimate of this forcing to within 0.025 W m−2 while even recently developed parameterizations have typical errors 4 or more times larger, suggesting both that the samples reveal true differences among line‐by‐line models and that parameterization error will be readily identifiable. Agreement among line‐by‐line models is better in the longwave than in the shortwave where differing treatments of the water vapor continuum affect estimates of forcing by carbon dioxide and methane. The impacts of clouds on instantaneous radiative forcing are estimated from climate model simulations, and the adjustment due to stratospheric temperature changes estimated by assuming fixed dynamical heating. Adjustments are large only for ozone and for carbon dioxide, for which stratospheric cooling introduces modest nonlinearity.
Carbon and nitrogen mineralization of sewage sludge compost in soils with a different initial pH

Abstract Soil properties may affect the decomposition of added organic materials and inorganic nitrogen (N) production in agricultural soils. Three soils, Potu (Pu), Sankengtzu (Sk) and Erhlin (Eh) soils, mixed with sewage sludge compost (SSC) at application rates of 0 (control), 25, 75 and 150 Mg ha−1 were selected from Taiwan for incubation for 112 days. The aim of the present study was to examine the effects of SSC application rates on the carbon decomposition rate, N transformation and pH changes in three soils with different initial soil pH values (4.8–7.7). The results indicated that the highest peaks of the CO2 evolution rate occurred after 3 days of incubation, for all treatments. The Pu soil (pH 4.8) had a relatively low rate of CO2 evolution, total amounts of CO2 evolution and percentage of added organic C loss, all of which resulted from inhibition of microbial activity under low pH. For the Pu and Sk soils, the concentration of NH4 +-N reached its peak after 7–14 days of incubation, which indicated that ammonification might have occurred in the two soils with low initial pH values. NO3 −-N rapidly accumulated in the first 7 days of incubation in the Eh soil (pH 7.7). The direction and extent of the soil pH changes were influenced by the N in the SSC and the initial soil pH. Ammonification of organic N in the SSC caused the soil pH to increase, whereas nitrification of mineralized N caused the soil pH to decline. Consequently, the initial soil pH greatly affected the rate of carbon decomposition, ammonification and nitrification of SSC.
Possible role of glutathione peroxidase-3 and organic cation transporter-2 gene expressions in mediating protective effects of curcumin on cisplatin‐induced nephrotoxicity in rats

Introduction: Cisplatin induced nephrotoxicity may limit the clinical use of this drug. The aim of this study was to investigate the mechanism of the possible renoprotective effect of curcumin in cisplatin nephrotoxicity. Methods: Thirty male Wistar rats were randomly divided into five groups: 1control (0.5ml normal saline ip, daily for 10 constitutive days); 2cisplatin (10mg/kg ip, single dose at the first day); 3cisplatin + curcumin (10mg/kg ip, dissolved in 5% DMSO, daily for 10 constitutive days); 4cisplatin + vehicle (5% DMSO, 0.3ml ip) and 5curcumin (10mg/kg ip). At the end of the study, urine and blood samples were obtained for biochemical (BUN, creatinine, sodium and potassium) analysis. The right kidneys were kept in 10% formalin for H&E and TUNEL staining, and the left kidneys were used for type 2 organic cation transporter (OCT2) and type 3 glutathione peroxidase (GPx3) gene expression and malondialdehyde measurements. Results: Cisplatin significantly increased serum creatinine, BUN, potassium and kidney lipid peroxidation. However, the effect of cisplatin on Gpx3 and OCT2 gene expression was not statistically significant. Curcumin treatment decreased serum creatinine, BUN, and kidney lipid peroxidation, but increased GPx3 and OCT2 gene expression. Moreover, curcumin significantly reversed the cisplatin-induced kidney tissue injury and decreased apoptosis. Conclusion: It is concluded that the ameliorative effect of curcumin in cisplatin nephrotoxicity was assumed to be due to antioxidant effect of this agent. The role of curcumin in mediating uptake of cisplatin is still unclear. http://dx.doi. org/10.32598/ppj.24. 3.70 iD D ow nl oa de d fr om p pj . p hy ph a. ir at 1 5: 01 + 04 30 o n S un da y A pr il 25 th 2 02 1 [ D O I: 10 . 3 25 98 /p pj . 2 4. 3. 70 ] GPx3 and OCT2 in protective effects of curcumin Physiol Pharmacol 24 (2020) 211-220 | 212
Investigation of Si and Ge etching mechanisms in radiofrequency CF2-O2 plasma based on surface reactivities

Reactive ion etching (RIE) of silicon and germanium in CF4-O2 radio frequency plasmas has been investigated by means of optical emission spectroscopy, mass spectrometry and quasi in situ X-ray photoelectron spectroscopy. Above 10% O2, germanium etching is selective with respect to silicon. In the gas phase, two etching products are detected: SiF4 and GeF4. Their concentration is shown to be correlated with the amount of atomic fluorine and oxygen as measured by actinometry. In agreement with the plasma characterization, XPS analysis reveals that the Si etch rate appears to be controlled primarily by the thickness of the SiOxFy superficial layer whereas the formation of GeOxFy does not inhibit Ge etching. A simple model is used to express the surface reactivity in function of the experimental data. Application of this model to experimental CF4-O2 plasma etching suggests that surface composition controls silicon etching, whereas germanium etching depends mainly on the fluorine flux on the surface.
Luminescence of Tris(8-quinolinato)aluminum(III) (Alq3) Adsorbed into Mesoporous Silica

The adsorption of tris(8-quinolinato)aluminum(III) (Alq 3 ) into mesoporous silica was investigated. Alq 3 was easily occluded into the mesoporous silica from ]Alq 3 solution and the luminescence altered with respect to the amount of adsorbed Alq 3 . This is the first report to effectively modify the luminescence properties of Alq 3 by the host-guest and guest-guest interactions.
Crystal and molecular structure of hexaiodobenzene

The structure of hexaiodobenzene has been elucidated by an X-ray study based on photographic data. The crystals are monoclinic pseudo-hexagonal, space group P21/n, which here requires the C6I6 unit to be centrosymmetric. Within experimental error the carbon skeleton is a regular planar hexagon with mean C–C distance 1·41 ± 0·05 A, and the iodine atoms lie very close to this plane; they show small displacements (ca. 0·04 A) alternately above and below the mean plane of the ring, to give a mean I–I intramolecular distance of 3·507± 0·003 A. The closest intermolecular distance is similar (3·76 A), and surprisingly short as compared with twice the van der Waals radius (4·3 A). The mean C–I distance is 2·093± 0·037 A. The molecules are stacked parallel to one another to form columns in the unique crystallographic direction, but the planes of the molecules are tilted with respect to the column axis. The whole crystal could be regarded as a dislocated cubic close packing of iodine atoms, with one iodine in seven replaced by a planar hexagonal C6 unit.
Identifying Value Drivers in Organic Food Supply Chains

Appropriate value creation processes play a key role in the success of organic food supply chains in terms of effective response to consumer requirements and sustainability goals. In this study, we explore key drivers for value creation in the organic food industry, taking the Spanish organic olive supply chain as a representative case study. A business model survey was conducted with the participation of a highly qualified panel of experts to provide innovative options for value generation in the organic olive oil industry. Elicited expert judgements relate to the identification of the potential sources of adding value along the supply chain as a whole and among its different actors, as well as the factors that influence positively and negatively the adding-value formation. Findings contribute new ideas and pathways to develop innovative, effective and sustainable business models capable to generate value for companies, customers and the society as a whole. Results can be readily applied in real-world case studies to improve existing company business models.
Synthesis and characterisation of nitro-, nitroso- and aminofluoranthenes

The synthesis is reported of the five mononitrofluoranthenes. 1-Nitrofluoranthene was synthesized in 20% from fluoranthene, 2-nitrofluoranthene in 24% from 1,2,3,10b-tetrahydrofluoranthene, 3-nitrofluoranthene in 13% from fluoranthene and 7- and 8-nitrofluoranthene in 34% from 1,2,3,10b-tetrahydrofluoranthene. The pure nitrofluoranthenes were converted into their nitroso and amino analogues. The nitrosopyrenes were also synthesized. Characterisation of each compound is described.