Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation of Sensitizer Adsorption and the Influence of Protons on Current and Voltage of a Dye-Sensitized Nanocrystalline TiO2 Solar Cell

FTIR spectra of [Ru(dcbpyH2)2(NCS)2] (N3), (Bu4N)2[Ru(dcbpyH)2(NCS)2] (N719), and (Bu4N)4[Ru(dcbpy)2(NCS)2] (N712) complexes measured as solid samples in photoacoustic mode display fine resolution of IR bands and exhibit differences between the cis and the trans carboxylic acid groups. The interaction between N3, N719, and N712 sensitizers with nanocrystalline TiO2 film was investigated by ATR-FTIR spectroscopy. The data show that these complexes are being anchored onto the TiO2 surface in bridging coordination mode using two out of their four carboxylic acid groups, which are trans to the NCS ligand. The effect of protons on both the short circuit photocurrent and the open circuit photovoltage of dye-sensitized nanocrystalline solar cells was scrutinized. For the standard electrolyte formulation employed and TiCl4 treated mesoporous TiO2 films, the monoprotonated form of the N3 dye exhibited superior power conversion efficiency under AM 1.5 sun compared to the four, two, and zero proton sensitizers.
Drainage of a Thin Liquid Film Confined between Hydrophobic Surfaces

We investigate theoretically the drainage of a thin liquid film between two undeformed hydrophobic spheres. The role ofhydrophobicity is revealed in the apparent slippage of liquid over the solid. The origin of the slippage effect is probably linked with a decrease in viscosity in the very thin near-to-wall layer. The solution is obtained for arbitrary values of slip lengths (from zero to infinity) as well as for arbitrary radii of curvature of approaching surfaces. The main result consists in that the pressure and the drag force yield the product of corresponding expressions for similar hydrophilic spheres and some corrections for slippage. These corrections depend only on the relationships between the gap and the slip lengths. As a result, at distances that are much greater than both slip lengths of approaching surfaces, the liquid flow is the same as that for hydrophilic surfaces. If the gap width exceeds considerably only one of the slip lengths then the pressure and the resistance will be equal to those experienced by hydrophilic sphere moving toward the free bubble surface. If the gap is much smaller than both slip lengths, the flow will be like that which arises when two bubbles approach each other. In the latter case, the hydrodynamic drag is not inversely dependent on the gap but is inversely proportional to the slip lengths and only logarithmically dependent on the gap. The correction for slippage plays a dramatic role in the coagulation processes. The main result for coagulation consists in the possibility for collision to occur at a finite time. Also, this correction needs to be taken into account when the various properties of confined liquids (first of all the hydrophobic attractive force) are investigated with the drainage technique.
Comparative study of the intra- and intervalley contributions to the free-carrier induced optical nonlinearity in n-GaAs

We performed a theoretical study about the optical nonlinearity connected with the redistribution of free electrons between the Γ and L valley of highly doped n-GaAs. An extended comparison was made between the intravalley (or nonparabolicity) and the intervalley contribution. In the energy relaxation process, intravalley transitions in the Γ and L valley by means of the emission of optical phonons and equivalent intervalley transitions in the L valley by means of intervalley phonons were considered as the main mechanism of energy transfer to the lattice. It is demonstrated that when the frequency of light matches with the plasma frequency of the n-doped GaAs the nonlinearity is quite big. At a doping concentration of 7×1018 cm−3 we calculated a nonlinear refractive index n2=1.74×10−8 cm2/W at 10.6 μm. The doping and intensity dependent energy relaxation times of electrons are calculated: for Γ-valley electrons τenΓ∼(3–5) ps and for L-valley electrons τenΓ∼(0.3–0.5) ps. It is believed that the response ti.
High-resolution NMR structure of a Zn2+-containing form of the bacteriophage T5 L-alanyl-D-glutamate peptidase

This paper represents the spatial solution structure of the Zn2+-containing form of the bacteriophage T5 L-alanyl-D-glutamate peptidase (EndoT5-Zn2+). The core of this α + β protein is formed by three α-helices (residues 7–15, 20–30, and 87–104) and a β-sheet containing three β-strands (residues 35–39, 71–76, and 133–135). The protein has two short loops (residues 16–19 and 31–34), a medium-length loop (residues 77–86) containing a short β-hairpin (residues 77–82), and two long loops (residues 40–70 and 105–132). The long loops include a stable 310-helix (residues 66–68) and labile α-helices 46–53 and 113–117. Catalytic Zn2+-binding site is represented by three amino acid residues, His66, Asp73, and His133. The cation-binding His residues are located near the foundations of the long loops, whereas Asp73 is positioned in the middle of the core β-sheet. The catalytic center localization contributes to the stabilization of the entire molecule, with Zn2+-binding playing a key role in the folding of this protein.
Twilight of the Idols in the Market for Champagne: Dissonance or Consonance in Consumer Preferences?

Abstract The paper reports on a series of results obtained from a champagne tasting experiment. People were asked to rank four different products according to their preferences, when faced successively with different sets of information: labels and disclosures, prices and then blind tasting. This experiment shows that for experience goods, there may be a dissonance in the behaviour of consumers, in the sense that they choose differently when they see the signals and when they experience the product. This dissonance suggests that better information is needed for rational consumers to discover their preferred product.
Mineralization of Steroidal Hormones by Biosolids in Wastewater Treatment Systems in Tennessee U.S.A.

During the past several years, concern has risen over potential pollution of waterways with estrogenic compounds, including steroidal hormones from human and animal sources. One potential source of steroid hormone contamination is through the incomplete removal of these compounds in wastewater treatment systems (WTS). To address this issue, laboratory mineralization assays using 14C-labeled estrogens and testosterone were performed with biosolids from four municipal treatment plants and one industrial system. The importance of adapted microbial populations in the removal of estrogen was shown by the dramatic differences in mineralization of 14C-17β-estradiol by biosolids from a municipal plant compared to that from the industrial plant, 84% versus 4%, respectively. Indeed, biosolids from all of the municipal plants mineralized 70−80% of added 14C-17β-estradiol to 14CO2 in 24 h. Removal of 14C-17β-estradiol from the aqueous phase by biodegradation and/or biosorption to cell matter was greater than 90%. A r.
The relationship between the rates of job satisfaction and the degree of person-job value congruence for senior healthcare leaders

Acute care hospitals and senior healthcare leaders are facing increasing governmental regulations enacted by the Affordable Care Act (ACA), Value-Based Programing, and a constantly changing political agenda. Senior healthcare leaders are expected to solve these new challenges and lead their employees and organizations during these challenging times. However, the ever-changing healthcare environment, which may be attributing to the high turnover rates and low rates of job satisfaction for senior healthcare leaders, is preventing lasting solutions to the current challenges the healthcare industry is facing (Fiabane, Giorgi, Sguazzin, & Argentero, 2013; Keyko, Cummings, Yonge, & Wong, 2016). Research supports that intrinsic variables of job satisfaction are the key to increasing motivation and job satisfaction for healthcare employees (Janssen, De Jonge, & Bakker, 1999; Lee & Cummings, 2008; Lundh, 1999; Nolan, Nolan, & Grant, 1995; Speedling, 1990). Research also indicated that value congruence is positively related to job satisfaction (Edwards & Cable, 2009; Kristof, 1996; Kristof-Brown, Zimmerman, & Johnson, 2005; Ren & Hamann, 2015) and has a stronger relationship between intrinsic variables of job satisfaction than extrinsic variables of job satisfaction (Caudron, 1997; Fisher, 2010). The purpose of this research study was to explore the relationship between the rates of extrinsic and intrinsic job satisfaction and the degree of person-job value congruence for senior healthcare leaders. Surprisingly, this study’s findings indicated that there is no statistically significant relationship between person-job value congruence and extrinsic or intrinsic job satisfaction. Also, contrary to previous literature, extrinsic job satisfaction was highlighted as more important than intrinsic job satisfaction for increasing job satisfaction for senior healthcare leaders. The study’s findings also note that female senior healthcare leaders have less extrinsic job satisfaction and feel that they need to achieve more (be more successful, capable, and ambitious)
Use of Ionic Liquids as Electrolytes in Electromechanical Actuator Systems Based on Inherently Conducting Polymers

The use of ionic liquids (ILs) as electrolytes for electromechanical actuators based on polypyrroles (PPy's) is described. The composition of the electrolytes has a significant effect on the electrochemical properties of the PPy actuator and subsequently on actuator performance, improving cycle life and strain generated. The actuator performance in ionic liquid electrolytes is significantly better than that in traditional organic and aqueous electrolytes.
Sugars in whole sesame seed: effects of cultivars, planting dates and row spacings.

Mean contents of fructose, glucose, raffinose, stachyose, sucrose, and total sugars in whole sesame seed, produced during 2011 and 2012 in mid-Atlantic region of the United States of America, were 0.95, 1.28, 2.22, 0.14, 0.82, and 5.39 g/100 g meal, respectively. Planting time effects were significant for contents of fructose, glucose, raffinose, stachyose, sucrose, and total sugars. Contents of sucrose and total sugars were highest during both plantings in 20 11 as compared to those for both planting dates in 2012. However, differences between two planting dates for total sugar contents during each year were not significant while earlier plantings in both years had significantly higher contents of sucrose. Raffinose content was significantly greater from late planting during 2011 over early planting whereas planting date effects during 2012 were not different. Stachyose content was significantly greater from early planting in 2012 over late planting whereas planting date effects during 2011 were not significant. An increase in row spacing from 37.5cm to 75cm increased the content of fructose by 24.7% but resulted in 8.1% decrease in content of glucose. Cultivar effects were significant only for sucrose. S26 and S32 cultivars had significantly higher content over that of 22K (0.89, 0.89, and 0.69g/100g meal, respectively). These results indicate that sugar contents in sesame whole seed
Emission in the deep vacuum ultraviolet from a plasma formed by incandescently heating hydrogen gas with trace amounts of potassium carbonate

A hydrogen plasma with intense extreme ultraviolet and visible emission was generated from low pressure hydrogen gas (0.1–1 mbar) in contact with a hot tungsten filament only when the filament heated a titanium dissociator coated with K2CO3 above 750°C. The electric field strength from the filament was about 1 V cm−1, two orders of magnitude lower than the starting voltages measured for gas glow discharges. The emission of the Hα and Hβ transitions as well as the Lα and Lβ transitions were recorded and analysed. The plasma seemed to be far from thermal equilibrium, and no conventional mechanism was found to explain the formation of a hydrogen plasma by incandescently heating hydrogen gas in the presence of trace amounts of K2CO3. The temporal behaviour of the plasma was recorded via hydrogen Balmer alpha line emission when all power into the cell was terminated and an excessive afterglow duration (2 s) was observed. The plasma was found to be dependent on the chemistry of atomic hydrogen with potassium since no plasma formed with Na2CO3 replacing K2CO3 and the time constant of the emission following the removal of all of the power to the cell matched that of the cooling of the filament and the resulting shift from atomic to molecular hydrogen. Our results indicate that a novel chemical power source is present and that it forms the energetic hydrogen plasma that is a potential new light source.
Electron transport through single alkane molecules with different contact geometries on gold

We report theoretical simulations of the effects of different binding sites and metal contact geometries on the conductance through single alkanedithiol molecules on gold. Examined are the current–voltage (I –V ) characteristics and the projected density of states when a one‐atom‐thick filament is formed at the molecule‐metal interface. Filaments similar to these are believed to be formed in gold STM break‐junction experiments. I –V characteristics with these contacts are compared to those of planar gold contacts at hollow or on‐top sites. The results reveal that a gold filament contact produces a large change in the Fermi level lineup which significantly affects its I –V curve. The conductance decreases by a factor of 4 ∼ 6 when gold atoms are placed between the molecule and the gold surface to form a filament, and non‐linearities develop. The hollow and on‐top planar contacts show similar conductivities to each other and produce linear I –V curve. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
FTIR spectroscopy in combination with principal component analysis or cluster analysis as a tool to distinguish beech (Fagus sylvatica L.) trees grown at different sites

Abstract FTIR spectroscopy was used to distinguish between beech (Fagus sylvatica L.) trees grown at five different sites; one in middle Germany close to Göttingen (forest district Reinhausen), three located in the southwest (two in Rhineland-Palatinate: forest districts Saarburg and Hochwald, and one in Luxembourg), and one in North-Rhine Westfalia. Detailed investigation of the spectra in the fingerprint region (1800–600 cm-1) revealed 16 distinct peaks and shoulders, most of which were assignable to wavenumbers previously shown to represent wood compounds. Differences in peak heights and peak ratios indicated differences in wood composition of beech trees from different sites. To determine if the wood of individual trees could be distinguished, principal component analysis (PCA) and cluster analysis were performed using FTIR spectra as input data. With both PCA and cluster analysis, trees from four of the five different sites were separated. It was not possible to distinguish between trees from Saarburg and Hochwald, where similar edaphic and climatic conditions exist, while wood spectra from trees from all other areas clearly segregated. Wood collected at different positions in the stem (bottom, crown, center and outer year rings) of trees grown at the same site was not distinguishable. Therefore, FTIR spectral analysis in combination with multivariate statistical methods can be used to distinguish wood of trees from different growth habitats. Extension of this method to other species may be of great interest for wood certification, as it may be possible to distinguish wood, of a given species, originating from different regions.
Dark fermentative hydrogen production from xylose in different bioreactors using sewage sludge microflora

In this study, the H2-producing activity of the sewage sludge microflora using xylose as the sole carbon substrate was investigated in three bioreactor systems, including a suspended continuously stirred tank reactor (CSTR), an immobilized-cell continuously stirred anaerobic bioreactor (IC-CSABR), and a powder activated carbon-assisted agitated granular sludge bed (AGSB). For suspended-culture CSTR operations, fermentative H2 production was conducted at different hydraulic retention times (HRT = 4–12 h). The H2 production rate (HPR) was 183 mmol/L/d at HRT = 12 h, but the H2 production rate and yield decreased significantly when the HRT was shortened to 4 h due primarily to the washout of cells. To improve the operational stability of short HRTs, silicone-immobilized cells (IC-CSABR system) and powder activated carbon carriers (AGSB system) were adopted for the reactor systems to either maintain stable biomass concentration in the reactor or enhance biomass content by stimulating sludge granulation. Both .
Wetted Wall Cyclones for Bioaerosol Sampling

A wetted wall bioaerosol sampling cyclone with an aerosol sampling flow rate of 1250 L/min and a continuous liquid outflow rate of about 1 mL/min was developed by upgrading an existing system. The aerosol-to-hydrosol collection efficiency curve for the upgraded device was shown to have a cutpoint of 1.2 μ m aerodynamic diameter (AD) and an average collection efficiency of 90% over the size range of 2 to 10.2 μ m AD. Tests with near-monodisperse cells and clusters of Bacillus atrophaeus (aka BG) spores showed an average aerosol-to-hydrosol collection efficiency of 98% over the size range from 1.7 to 9.8 μ m AD. Pressure drop across the cyclone, which is also the ideal specific power, was 5.5 kPa (22 inches H2O). Stokes scaling was used to design geometrically similar cyclones with nominal air sampling flow rates of 100 and 300 L/min. Extensive tests were performed with the 100 L/min unit and check tests with the 300 L/min. Results with the scaled units showed similar, although somewhat lower collection efficiencies than the 1250 L/min device, but with lower consumption of liquid and lower pressure losses. For the 100 L/min cyclone, the cutpoint of the aerosol-to-hydrosol efficiency curve was 1.2 μ m AD, and the average collection efficiency for single cells and clusters of BG spores was 86% over a size range of 1.2 to 8.3 μ m AD. Also, for the 100 L/min cyclone, typical output liquid flow rates were 100 μ L/min, and the pressure loss was 1.6 kPa (6.4 inches H2O).
Wind velocity perturbation of soil respiration measurements using closed dynamic chambers

Soil respiration measurements performed with closed dynamic chambers are very sensitive to pressure differences inside and outside the chamber: differences as small as 1 Pa can induce errors that are of the same magnitude as the flux itself. The problem is usually solved by adding a vent to the experimental set‐up. However, although this may give acceptable results in most cases, it is not effective at sites that are very exposed to wind. At the CarboEurope–IP agricultural site of Lonzée (Belgium), on bare soil, we used a vent composed of a vertical tube whose upper end was placed between two horizontal plates. Whilst this system worked properly in low‐wind conditions, it led to a significant flux over‐estimation (up to 300%) under strong wind conditions. We analysed the causes of this error and attributed it to a dynamic pressure effect at the vent, leading to air aspiration from within the chamber. We suggest that this is because the wind at the vent level was not the same as that experienced in the chamber, because of the large vertical wind speed gradient close to the soil. Another vent geometry was then proposed that positioned the vent at the chamber level. This new design was tested on both manual and automatically operated chambers. It was found to be efficient in windy conditions as most of the artificial correlation between soil respiration measurements and wind speed had disappeared.
The decarboxylation and dehydration reactions of monomeric formic acid

Two unimolecular dissociation reactions of formic acid have been investigated theoretically. The decarboxylation reaction yields molecular hydrogen and carbon dioxide, while the dehydration reaction produces water and carbon monoxide. The 1,2‐hydrogen shift rearrangement from formic acid to dihydroxymethylene has also been considered. Methods ranged from double zeta plus polarization self‐consistent field to triple zeta plus double polarization coupled cluster singles and doubles. For certain key structures, the coupled cluster method including single, double, and linearized triple excitations (CCSDT‐1) was applied as well with the double zeta plus polarization basis set. A barrier height of ∼71 kcal mol−1 with zero point vibrational energy correction is predicted for the dissociation to molecular hydrogen and carbon dioxide. A rather comparable value of ∼68 kcal mol−1 is predicted for the barrier to the dehydration reaction. The 1,2‐hydrogen shift transition state is somewhat higher in energy at ∼79 kcal.
Loyalty towards Islamic Microfinances Industry: The Role of Religiosity, Image, and Trust

: Developing and generating customer loyalty is very important to give a positive impact on business results such as deposit amount, operating and marketing costs, rate customer retention and income. By having customers who are loyal to the product or organization, a business organization will be able to improve its business performance. Therefore, understanding the way to build customer loyalty is very important for every organization. In other words, loyalty is an important key for developing sustainable competitive advantage. However, the literature shows a lack of attention in assessing loyalty in the context of Islamic microﬁnance institutions (sharia cooperatives/BMTs). This study attempts to examine customer loyalty of Islamic microﬁnance institutions (sharia cooperatives/BMTs) through three important determinants, religiosity, image, and trust. This study used a ﬁeld survey based on self-managed questionnaires with 300 respondents in total. The samplings were taken from some major cities in West Java Province, Indonesia, as representatives. The sample data were analyzed statistically through path analysis with the Partial Least Square Structural Equation Model (PLS-SEM) to determine perceptions of religiosity, image, trust, and loyalty. The results of this study indicate that Trust and Image have a positive effect on loyalty, but Religiosity does not. This ﬁnding shows that even though a person’s religiosity is considered good, it does not make the customer loyal to sharia cooperatives/BMTs. Customers will be more loyal if sharia cooperatives/BMTs can provide good image and trust, that will generate customer’s desire to be loyal. However, Religiosity has an inﬂuence on Trust and Image, so it is still important to increase Religiosity so that it can indirectly increase Loyalty.
Stability-Indicating RP-HPLC Method for Analysis of Paracetamol and Tramadol in a Pharmaceutical Dosage Form

A simple, isocratic, rapid and accurate reversed phase high performance liquid chromatography method was developed for the quantitative determination of paracetamol and tramadol in commercial medicinal tablets. The chromatographic separation was achieved on an Intersil C18 (250 mm x 4.6 mm, 5μm) column using water pH 3.4 with orthophosphoric acid: methanol (60:40, v/v) as a mobile phase, and UV detection at 228 nm. The chromatographic resolutions between paracetamol and tramadol were found greater than five. The linear range for paracetamol and tramadol were 20.8–39.0 μg/ml and 2.4–4.5 μg/ ml was obtained with correlation coefficients ≥0.999 for each analyte. The retention time were found to be 2.1 and 3.9 min for tramadol and paracetamol respectively. Paracetamol and tramadol was subjected to stress conditions (hydrolysis (acid, base) oxidation, photolysis and thermal degradation) and the stressed samples were analyzed by use of the method. The major degradation was observed in acid and minor in base, thermal, oxidation and photolysis. The forced degradation studies prove the stability indicating power of the method.