Miracle-dz/UniFAR-FTUs huggingface dataset:
Facile synthesis of highly stable BF3-induced meso-tetrakis (4-sulfonato phenyl) porphyrin (TPPS4)-J-aggregates: structure, photophysical and electrochemical properties

We report herein, a novel method for the formation of highly stable BF3-induced J-aggregates by interaction between meso-tetrakis(4-sulfonatophenyl)porphyrin (TPPS4) and BF3O(C2H5)2. The aggregates were characterized by NMR (1H, 11B and 19F), optical absorption, cyclic voltammetry, FT-IR and fluorescence spectroscopic techniques. TPPS4 readily forms a 1 : 2 adduct with BF3 which further converts into BF3-induced TPPS4 aggregates whose spectroscopic properties strongly depend on the concentration of BF3. The optical absorption spectrum shows the formation of J-type aggregates with an apparent association constant (logKapp) of 4.2 ± 0.1. The steady state emission shows formation of 1 : 2 (TPPS4–BF3) adducts at ∼685 nm and J-aggregates exhibit emission at 732 nm with a red shift of ∼17 nm in comparison to J-aggregates of TPPS4 with TFA. The fluorescence lifetime of TPPS4 : BF3 (1 : 2) adducts exhibits ∼3.68 ns and aggregates show a lifetime of 4.32 ± 0.2 ns with major abundance. NMR study reveals that proton transfer occurs from pyrrole N–H to the SO3− groups and J-aggregates were stabilized by strong intermolecular hydrogen bonding interaction between N2–BF2 and SO3H. Cyclic voltammetry shows a decrease in the reduction peak current along with a change in the peak potentials for the aggregates. The PXRD pattern of the aggregates exhibits orthorhombic structure with interplanar distance of 4.87 A. The variations in unusual stability, photophysical, electrochemical properties and nature of the aggregates were rationalized with aggregates of TPPS4 dication.
Mesoporous nitrogen-rich carbons derived from protein for ultra-high capacity battery anodes and supercapacitors

In this work we demonstrate that biomass-derived proteins serve as an ideal precursor for synthesizing carbon materials for energy applications. The unique composition and structure of the carbons resulted in very promising electrochemical energy storage performance. We obtained a reversible lithium storage capacity of 1780 mA h g−1, which is among the highest ever reported for any carbon-based electrode. Tested as a supercapacitor, the carbons exhibited a capacitance of 390 F g−1, with an excellent cycle life (7% loss after 10 000 cycles). Such exquisite properties may be attributed to a unique combination of a high specific surface area, partial graphitization and very high bulk nitrogen content. It is a major challenge to derive carbons possessing all three attributes. By templating the structure of mesoporous cellular foam with egg white-derived proteins, we were able to obtain hierarchically mesoporous (pores centered at ∼4 nm and at 20–30 nm) partially graphitized carbons with a surface area of 805.7 m2 g−1 and a bulk N-content of 10.1 wt%. When the best performing sample was heated in Ar to eliminate most of the nitrogen, the Li storage capacity and the specific capacitance dropped to 716 mA h g−1 and 80 F g−1, respectively.
Hyphal Sheath and Iron-Binding Compound Formation in Liquid Cultures of Wood Decay Fungi Gloeophyllum trabeum and Postia placenta

Hyphal sheath (extracellular matrix) and iron-binding compound formation in liquid cultures of the brown rot fungi Gloeophyllum trabeum and Postia placenta were examined as a function of incubation temperatures, culture pH, and concentrations of iron, manganese, and nitrogen in the culture medium. Hyphal sheath was observed microscopically and quantified with Jandel video analysis (JAVA). The hyphal sheath was found on young and rejuvenated hyphae, around the hyphal tips and along the length of the hyphae, but not on necrotic hyphae. Production of hyphal sheath was greater in fungi growing in low concentrations of metals (0-5μM iron or 0-100μM manganese) than in fungi growing under high metal concentrations. High nitrogen concentrations decreased sheath formation in G. trabeum. Iron-binding compound formation, as monitored by the chrome azurol S (CAS) assay, did not occur in detectable quantities until the third week of culture incubation. Iron-binding compound production was correlated with low concentrations of metals, but was not significantly influenced by the form of the nitrogen source. High levels of manganese (1000-5000μM) and iron (150-200μM) repressed both iron-binding compound production and hyphal sheath formation. Incubation temperature and pH of the medium influenced hyphal sheath and iron-binding compound formation by both brown rot fungi. Gloeophyllum trabeum produced more hyphal sheath and iron-complexing agents at pH 3.5, 35°C than under other cultural conditions tested. Postia placenta yielded more sheath at pH 5.5. 25°C than under other cultural conditions tested. Both fungi decreased the culture pH over time, irrespective of starting pH, to a final pH of 2.4 to 3.0. Greatest decreases in pH values were seen in cultures low in manganese and iron. The influence of transition metal concentration and other experimental parameters on pH, ratio of hyphal sheath to hyphal area, and on the production of extracellular high affinity iron-binding compounds is of significance because of the role these parameters have been shown to play in the biodegradation of wood by brown rot fungi.
FOURIER TRANSFORM REFLECTION-ABSORPTION IR SPECTROSCOPY STUDY OF FORMATE ADSORPTION ON TIO2(110)

The adsorption of the formate species produced by dissociative adsorption of formic acid on TiO2(110) has been investigated using a combination of X-ray photoelectron spectroscopy (XPS) and Fourier transform reflection−absorption IR spectroscopy (FT-RAIRS). Adsorption at 300 K produces a formate coverage of 0.59 ML, in agreement with previous estimates and higher than that expected for a perfect (2 × 1) overlayer observed in low-energy electron diffraction (LEED). p-Polarized FT-RAIRS measurements carried out as a function of azimuthal angle (Φ) reveal the presence of two formate species through the coupling of both the tangential (It) and normal (In) components of the radiation to the symmetric (νsym(OCO)) and antisymmetric (νasym(OCO)) vibrational modes of the molecule. Species A has the OCO plane aligned in the 〈001〉 direction with C2v symmetry; νasym(OCO) = 1566 cm-1 is observed as an absorption band (coupled to It) at Φ = 90°, and νsym(OCO) = 1363 cm-1, observed as a transmission band (coupled to In).
Synergistic effect of zeolite in an intumescence process. Study of the interactions between the polymer and the additives

The chemical effect of the zeolite 4A added to the intumescent ammonium polyphosphate (APP)–pentaerythritol (PER) system in a fire retardant (FR) ethylene–butyl acrylate–maleic anhydride terpolymer (LRAM3.5)-based formulation has been studied. Thermogravimetric (TG) analysis defines the different steps of the degradation of the formulation and shows that the presence of the zeolite leads to an increase in the stability of the material at high temperature (T > 550 °C). Spectroscopic characterisations, mainly 31P, 13C, 1H and 27Al NMR of the solid state, demonstrate that there are interactions between the polymer and the additives. In the case of the LRAM3.5–APP–PER formulation, the protection arises principally from the additives which make a thermal barrier between the flame and the material. When zeolite is present it plays an essential role, because it allows the formation of structures stabilising the polymer which can then participate in the formation of the intumescent protective shield and hence in its own protection. Moreover, we prove that the FR properties of the protective material obtained from the formulations depend on the ‘quality’ of the intumescent coating obtained from the additives. In particular, the presence of the zeolite decreases the size of the amorphous domains of the carbon.
Influence of the Si/Al Framework Ratio on the Microporosity of Dealuminated Mordenite as Determined from N2 Adsorption

Abstract Dealuminated mordenites depicting SiO2/Al2O3 molar ratios in the range 10‐206 were analyzed through adsorption methods. The Type I‐IV hybrid shape of the N2 adsorption isotherms at 76 K on dealuminated mordenites indicated rather high micropore contents, though some amount of mesopores of slit‐like geometry was also present. Micropore volumes and sizes were measured through αS, t, and DA‐plots, as well as by the NLDFT approach. Results indicated that mordenite dealumination caused micropore opening and widening as well as the emergence of further slit‐like mesopores; even though a slight structural collapse toward creation of mesopore zones occurred at high dealumination extents.
The Physical, Chemical and Microbial Characteristics of Biodegradable Municipal Waste Derived Composts

A comparative study of the physical, chemical and microbial properties of 12 composts sourced from United Kingdom commercial composting plants was carried out. The aim was to ascertain whether these composts could be used as growing media or for application to agricultural land. The composts were produced from either source segregated biodegradable municipal waste (BMW) or mixed municipal solid waste (MSW). Ten composts contained 100% source segregated BMW including green, fruit, vegetable, meat and kitchen waste, paper and cardboard. One compost was 72% mixed MSW plus 18% source segregated BMW, and one compost was 100% mixed MSW. Composts were analyzed for pH, electrical conductivity, carbohydrates, nutrients and contaminants. The composts sourced from mixed MSW contained higher levels of physical contaminants (glass, plastic and metal) than the source segregated BMW composts. Nitrogen concentrations (as % dry weight) were 1.7-2.2% where kitchen or meat waste was included and 1.0-1.6% otherwise. Phosphorus concentration ranged from 23 to 247 mg kg−1, and K from 1851 to 6615 mg kg−1. Total salts were higher in mixed waste composts (15-23 g kg−1), predominantly due to high concentrations of K, Ca, S and Na. Electrical conductivity varied from 670 μ cm−1 to 3320 μS cm−1. The levels of the heavy metals examined in the 10 source segregated BMW composts were much lower than the limits for composts in the United Kingdom (PAS 100). However, the 100% mixed MSW compost exceeded the PAS 100 levels in four of the seven heavy metals tested (Cu, Ni, Pb and Zn) which may have implications for repeated applications to agriculture. Salmonella was absent from all twelve composts, however, five composts contained levels of E. coli which exceeded the UK PAS 100 limits. Five composts produced from source segregated BMW could be applied to agricultural land, however, high levels of E. coli would exclude the other five. Moreover, high levels of heavy metals and physical contaminants would render the two mixed MSW composts unsuitable.
Inclusion complexes of β-cyclodextrine with organic ligands: molecular dynamics simulation of the thermodynamic stability in gas phase and in water solution

The double decoupling version of the thermodynamic integration procedure is applied to perform the molecular dynamical modelling of binding free energies of β-cyclodextrine (CD) with a number of organic ligands. Simulations for water solutions show a satisfactory agreement (within 1–2 kcal/mol) with the experimentally measured equilibrium binding constants. The values are also reported for the gas phase complexation of the same ligands, although no experimental data are available for such systems. These gas phase computations have revealed the large stabilisation effect for the CD complexes of ionic ligands. Only in this special case the attempt of a qualitative rationalising the obtained simulation data proved to be fairly successful. The problems specific for simulations for ionic ligands in water solution are discussed.
Assessing extractable soil phosphorus methods in estimating phosphorus concentrations in surface run‐off from Calcic Hapludolls

Understanding soil test phosphorus (STP) and surface run‐off phosphorus (P) relationships for soils is necessary for P management. The objective of the study was to evaluate the efficacy of various soil test indices to predict P losses in surface run‐off. Selected sites were subjected to in situ rainfall simulations according to the protocol of the National Phosphorus Research Project ( NPRP, 2001 ). P from a composite of twenty‐four 2.0‐cm‐diameter core soil samples (0–5 cm) was extracted using the Olsen, Bray–Kurtz, Mehlich III, distilled water and 0.01 m calcium chloride procedures. All of these P extraction methods explained a significant amount of variability in surface run‐off total dissolved P [TP (<0.45)] (r2 ≥ 0.67; P ≤ 0.01), where 0.45 is the filter pore diameter in microns. Multiple regression models showed extractable P to be the best soil predictor of surface run‐off TP (<0.45) among the studied soils. Despite extraction method or soil type, extractable P was the best soil predictor of surface run‐off TP (<0.45). Either agronomic (0.92 ≤ r2 ≤ 0.96) or environmental (0.94 ≤ r2 ≤ 0.96) soil tests were effective in estimating surface run‐off TP (<0.45) in select Mollisols.
Nanoscale organization of collagen and mixed collagen-pluronic adsorbed layers

Adsorption of collagen (300 nm length, 1.5 nm diameter) on poly(ethylene terephthalate) and the influence of Pluronic PE6800, a triblock poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) copolymer, were investigated by the combination of three techniques. The adsorbed amounts of the two adsorbates were determined by radiolabeling. X-ray photoelectron spectroscopy was used to get quantitative information on the adsorbed layer. Selected samples were observed by atomic force microscopy (AFM) under water and in air; data on morphology, mechanical resistance, and molecular interactions were obtained. In the absence of Pluronic, two collagen layer morphologies were observed. Under water, at an adsorbed amount equal to half the maximum, collagen formed a dense granular layer; at the maximum adsorbed amount (equivalent to six layers of lying molecules), the adsorbed layer was soft, appeared as a pattern of elongated structures, and showed adhesion of the AFM probe with rupture lengths as long as several hundred nanometers. This was attributed to collagen molecules or bundles protruding into the solution. After fast drying, the collagen layer was smooth with a low surface fraction occupied by holes at the lower protein adsorbed amount, while it showed spindle-shape relief features at the maximum adsorbed amount. In the presence of Pluronic, the amount of adsorbed collagen was reduced considerably, due to rapid adsorption of the surfactant. In these conditions, the collagen layer obtained from high protein concentration solutions was also constituted by granules and was very sensitive to the alteration by the AFM probe.
Vibrational dependence of the anisotropic intermolecular potential of Ar-HCl

A new intermolecular potential for Ar-HCl is obtained by fitting to results from high-resolution microwave, far-infrared, and infrared spectroscopy. The new potential is substantially more accurate than any previous Ar-HCl potential and is the first to include the dependence of the potential on the HCl monomer vibration: it is a function of the diatom mass-reduced vibrational quantum number η=(+1/2)/μ HX 1/2 as well as the intermolecular distance R and angle θ
Effectiveness of a Daily Class Progress Assessment Technique in Introductory Chemistry

To improve student learning in an introductory chemistry course, a daily class progress assessment was developed. At the end of every class period students answered, in writing, brief questions about material that had just been discussed in class. Student answers were not graded but were always discussed at the beginning of the following class. The intent was to continuously survey all students for their understanding of basic ideas and to correct misconceptions. Student performance during five semesters was examined. The assessment technique was used during two of the semesters. Use of this assessment technique resulted in a significant drop in freshman withdrawal frequencies from 26.7% to 6.7% (p < .005). When failure and withdrawal frequencies were combined a decrease from 34.4% to 16.7% was observed (p < .05). These results suggest that the assessment technique improved freshman performance. Contrary to what at first might be believed, the assessment technique is simple and quick. It allowed the immed.
Policy Uncertainty, Lender of Last Resort and the Real Economy

Abstract A reduction in lender of last resort (LOLR) policy uncertainty positively affects bank lending and propagates to investment and employment. We exploit a unique policy that reduced uncertainty regarding the availability of future LOLR funding for banks as a quasi-natural experiment. Using micro-level data on banks, firms and loans in Portugal, we generate cross-sectional variation in banks’ exposure to uncertainty and find that the size of the haircut subsidy - the gap between private market and central bank security valuations - plays a key role in the propagation of the shock to lending and the real economy.
Agitation power for solid-liquid suspensions containing large particles

The agitation power required by liquid-solid suspensions of large PVC discs (4.3 mm) and sand granules (1.29 mm) in water was measured for various solids concentration, up to 16% by volume, using 5 different impellers. In all cases the dispersed power increased with increasing solids content, more than expected based on the suspension density. The solid phase actually dissipates energy due to particle-liquid friction and in the collisions of the particles. The amount of energy dispersed according to these mechanisms is generally low, but becomes evident with the large particles as the solid concentration increases above 4%. La puissance d'agitation necessaire pour les suspensions liquide-solide de larges disques de PVC (4,3 mm) et de grains de sable (1,29 mm) dans l'eau, a ete mesuree pour diverses concentrations de solides, atteignant 16% par volume, a l'aide de 5 turbines differentes. Dans tous les cas l'energie dispersee augmente avec l'augmentation de la teneur en solides, davantage que le laisse supposer la masse volumique des suspensions. La phase solide dissipe reellement l'energie en raison de la friction particule-liquide et dans les collisions des particules. La quantite d'energie dispersee en fonction de ces mecanismes est generalement faible mais devient manifeste avec les particules larges lorsque la concentration de solides augmente au-dessus de 4%.
Effect Of The Sequential Application Of Liquid Organic Manure And Phosphorus On Maize Agronomic Traits And P Uptake In Some Tropical Soils

Improving phosphorus (P) fertility is challenging in tropical soils because of the fixation of P by soil components. The trial investigated the effect of the sequential application of poultry manure extract (tea) and P fertilizer on maize agronomy and P uptake, through screen house and field experiments. Results indicated that poultry manure tea is rich in nutrients but low in P and could be applied with phosphorus fertilizer to enhance P availability and reduce fixation. Application of P before manure tea produced taller maize plant on the field and the highest P uptake in the screen house and on the field. Manure tea also increased maize dry matter and grain yield. Combined application of poultry manure tea and P fertilizer had positive complementary and synergistic effects. It was concluded that manure tea enhances P availability and reduces P fixation by soil aluminum (Al) and iron (Fe) oxides irrespective of the sequence of application.
EFFICIENCY OF CERTAIN CHEMICAL COMPOUNDS AGAINST THE CLIMB RAT Rattus rattus alexandrine Under Laboratory Conditions

Laboratory studies were applied to investigate the efficiency of bromadiolone 0.005%, vitamins (A, C and E) and bromadiolone 0.005% with vitamin E; on the both sexes of climb. rat, Rattus rattus alexandrines ; the obtained results could be summarized in the following points;- The daily bait consumption of males and females of climbing rat, R. rattus had no any noticeable differences between the investigated vitamins A, C and E. ), Vitamin A and C had no mortality, meanwhile vitamin E at 0.50%, 0.75% and 1.0% caused 20%kill, 28%kill and 8.5%kill for male. Where it was 16%kill, 20%kill and 16.0% kill for female of R. rattus , respectively. Vitamin E at 1.0 ratio killed each of male and female of R. rattus after 1.8 day and 4.4 day as average, respectively. The tested vitamins (A, C and E) in different mixing bait ratio 0.50%, 0.75% and 1.0%, caused reduction to the body weight of both sexes of climb. rat, Rattus rattus alexandrines especially Vitamin E, The daily bait consumption from bromadiolone 0.005% with 1.0% vitamin E of sub lethal doses, LD 50 , for male and females R. rattus , were (8.5gm),. The mortality increased when the rats exposed to bromadilone plus Vitamin E than either of them singly. Also the highest mortality was recorded for bromadilone + Vitamin E 0.75% (gave 30%kill) Mostly, the shortest time to death under the combination condition was recorded by female.
Ionic and Polaronic Conductivity of Lithium Niobate

ABSTRACT Ceramics of lithium niobate with different lithium-to-niobium ratios were studied by impedance spectroscopy in the 1 Hz to 13 MHz frequency range and the 300–1000 °C temperature range. The static conductivity was determined for all compositions from Cole-Cole diagrams, and the evolution versus temperature was studied as a function of the Li/Nb ratios. The evolution of the ionic conductivity as a function of the temperature showed a change of slope at a temperature threshold. This change of slope may have been related to a modification of the conduction mechanism. At first, the mechanism followed a polaronic conduction model before the temperature threshold with an average activation energy of 0.84 eV; then it followed an ionic model after the temperature threshold, with an average activation energy of 1.20 eV.
Novel Silver(I) Ion Selective PVC Membrane Electrode Based on the Schiff Base (N 2 E,N 2' E)-N 2 ,N 2' -Bis(Thiophen-2-ylmethylene)-1,1'-Binaphthyl-2,2'-Diamine

A potentiometric sensor based on the Schiff base -bis(thiophen-2-ylmethylene)-1,1'-binaphthl-2,2'-diamine has been synthesized and explored as an ionophore PVC-based membrane sensor selective for the silver () ion. Potentiometric investigations indicate a high affinity of this receptor for the silver ion. Seven membranes have been fabricated with different compositions, with the best performance shown by the membrane with an ionophore composition (w/w) of: 1.0 mg, PVC: 33.0 mg, DOA: 66.0 mg in 1.0 mL THF. The sensor worked well within a wide concentration range of to M, at pH 5, at room temperature (slope 57.4 mV/dec.), and with a rapid response time of 9 s; the sensor also showed good selectivity towards the silver ion over a huge number of interfering cations, with the highest selectivity coefficient for at -3.7. Thus far, the best lower detection limit was M.
Adsorption Kinetics of Phospholipids at the Chloroform/Water Interface Studied by Drop Volume and Pendant Drop Techniques

The adsorption kinetics of the phospholipids l-α-dipalmitoylphosphatidylcholine (DPPC) and l-α-dimyristoylphosphatidylethanolamine (DMPE) has been investigated at the chloroform/water interface by using a steady drop (pendant drop method) and a growing drop (drop volume method) technique. Both experiments provide diffusion-controlled adsorption kinetics of the phospholipids at a liquid/liquid interface. The theoretical analysis of the adsorption kinetics has been performed on the basis of the Ward and Tordai equation. At extremely low phospholipid concentrations for both techniques a possible loss in bulk concentration is considered due to the adsorption at the drop surface. For the drop volume experiments a radial liquid flow inside the growing drop and the growing drop area are taken into account as well. Good agreement between the two experiments and with the existing theory is obtained.