Miracle-dz/UniFAR-FTUs huggingface dataset:
Determination of dry matter and crude protein contents of undried forages by near-infrared reflectance spectroscopy

Near-infrared reflectance spectroscopy (NIRS) was used to predict the dry matter (DM) and crude protein (CP) contents of untreated forage samples. Four hundred forage samples were analysed in reflectance mode. Two mathematical treatments based on the order of derivative of log(1/R), the gap in data points and the numbers of data points used in the first and second smoothings were applied. Predictive equations were developed using modified partial least squares (MPLS) with internal cross-validation. The coefficient of determination of calibration (R) and the standard error of cross-validation (SECV, in parentheses) for DM were 0.92 (12.4), 0.92 (12.6) and 0.93 (11.7) for the two treatments and log(1/R) respectively on a g kg fresh weight basis. For CP the NIRS calibration statistics yielded R and SECV (in parentheses) values of 0.85 (19.8), 0.85 (19.5) and 0.87 (18.1) for the two treatments and log(1/R) respectively on a g kg fresh weight basis. It was concluded that NIRS is a suitable method to predict the dry matter and crude protein contents of fresh forage without sample preparation.
A study of the behaviour of ampicillin in aqueous solution and thermodynamic characterization of its aggregation

The aggregation of ampicillin in water has been examined by conductivity measurements over the temperature range 288.15–313.15 K and light scattering. These measurements indicate the formation of two critical concentrations over the range 0–0.35 mol kg−1. Aggregation number and effective aggregate charge were calculated from the static light scattering data according to the Anacker and Westwell treatment. Thermodynamic parameters of aggregate formation were obtained from a form of the mass action model applicable to systems of low aggregation number. This method was applied at both critical concentrations. A valence of one was used for the monomers present in the first equilibrium. The second equilibrium was between aggregates of two different sizes, in this case, the valence of the aggregates being the effective charge calculated from the Anacker and Westwell treatment. Experimental results show that free energies of micellization for ampicillin are higher for the first critical concentration and in the same range, but lower than for other penicillins. The enthalpies of micellization become negative when the temperature is increased, but the variation is three times greater for the first critical concentration than for the second.
Synthesis of amphiphilic polyaspartamide derivatives and construction of reverse micelles

A series of amphiphilic graft copolymers based on biodegradable and biocompatible poly(aspartic acid)s were synthesized by a successive aminolysis reaction of polysuccinimide using octadecylamine/dodecylamine, and ethylenediamine-β-cyclodextrin/ethanediamine. The chemical structures of the copolymers were confirmed by FT-IR and 1H NMR spectroscopy. Large compound reverse micelles consisting of numerous small reverse micelles with polar cores and hydrophobic shells were formed in octanol solution. The reverse micelles showed various particle sizes based on the different length of hydrophobic alkyl chains and molecular weight of polysuccinimide, as determined by dynamic light scattering. Interestingly, the particle size of micelles showed temperature dependence, the diameter decreased continuously with increasing temperature. Their morphology and assembly properties were characterized using scanning electron microscopy, transmission electron microscopy and fluorescence spectroscopy. The reverse micelles were extremely efficient in extracting Congo red from water into octanol, exhibiting a potential application as delivery vehicles in the pharmaceutical and cosmetic fields, and as nanocontainers for separation of inorganic molecules as well.
The phenomenology and the mathematical modeling of the silicone-supported chemical oxidation of aqueous sulfide to elemental sulfur by ferric sulphate

When pumping a sulfide solution through a silicone cylinder immersed in a solution of ferric sulfate, a cloud of elemental sulfur is formed in the ferric sulfate if the pH of the sulfide solution is below about 8.5. The elemental sulfur subsequently sediments as orthorhombic α-sulfur particles. H 2 S(aq) diffuses through the pores of the hydrophobic silicone membrane and simultaneously reacts to become sulfur. This was confirmed by a mass balance between the amount of sulfide removed from the sulfide solution and the amount of solid product formed in the ferric solution. During the experiment, the pH of the non-buffered sulfide solution rises up to a maximum of 8.5; this is explained by the continuous protonation of HS caused by the removal of H 2 S(aq). The pH of the strongly acidic (pH 1.5) ferric sulfate solution hardly decreased. A mathematical model has been developed to quantify the phenomena related to the removal of H 2 S(aq). The model has been succesfully validated with the data of batch experiments. An Arrhenius-like relationship was found between the process temperature and the overall mass transfer coefficient K. A sulfide oxidation rate of 2.5 g S/dm 3 . day was predicted for a plug flow reactor. The integration of the novel process with biological sulfate reduction was studied.
Brick and Mortar Strategy for the Formation of Highly Crystalline Mesoporous Titania Films from Nanocrystalline Building Blocks

We present a novel “brick and mortar” strategy for creating highly efficient transparent TiO2 coatings for photocatalytic and photovoltaic applications. Our approach is based on the fusion of preformed titania nanocrystalline “bricks” through surfactant-templated sol−gel titania “mortar”, which acts as a structure-directing matrix and as a chemical glue. The similar chemical composition of both bricks and mortar leads to a striking synergy in the interaction of crystalline and amorphous components, such that crystallization is enhanced upon thermal treatment and highly porous and highly crystalline structures are formed at very mild conditions. Coatings with a broad variety of periodic mesostructures and thicknesses ranging from few nanometers to several micrometers are accessible using the same organic template, and the final structures are tunable by varying the fraction of the “bricks”. The beneficial combination of crystallinity and porosity leads to greatly enhanced activity of the films in photocata.
A kinetic study of the reaction between boldine and singlet oxygen[O2(1ωg)]

The sensitized photo-oxidation of boldine and its permethylated derivative, glaucine, has been studied in several solvents using steady-state kinetic methods. Values of kB, the total rate constant for the reaction between boldine and O2(1ωg), vary from 3.44 × 107M-1 s-1 in benzene to 150.00 × 107M-1 s-1 in water. For glaucine, similar values were determined. Quenching is faster in solvents with high capacity to stabilize a charge or dipole (higher π* parameter values). From these results, a charge-transfer quenching mechanism, to account for the interaction between boldine and O2(1Δg), is proposed. Rate constants for the chemical reaction are at least two orders of magnitude smaller than the total rate constants, which also show a large dependence on the π* parameter. This last result can be explained in terms of a more polar transition state leading to products.
A Novel Test Stand for the Generation of Diesel Particulate Matter

Todays industry uses a wide variety of diesel engines. Especially in mineral salt and potash mining, they have become the most important production factor since their introduction in the early 60s. I ARC classified diesel particulate matter (DPM) as probably carcinogenic (IARC, 1989). NIOSH recommended that DPM be regarded as possibly carcinogenic (NIOSH, 1988). In Germany, discussions about possible health hazards due to DPM exposure resulted in 1990 in its official classification as cancerogenic (MAK Werte, 1990). The respective limit value (Technische Richtkonzentration (TRK)) was published one year later (MAK Werte, 1991). Several problems caused by DPM have not been solved yet. Internationally for instance, relatively few quantitative exposure data are available. Moreover, the inherent characteristics of the cancerogenic effect are obviously still under discussion among medical experts although an agreement about the general cancerogenic properties of DPM seems to exist. In addition, the measuring technique to be referred to for DPM determination (sampling and analytical steps) is internationally still inconsistent. However, to measure the particulate proportion of diesel exhaust, i.e. especially "elementary carbon" (EC) is undisputed. To separate this substance from coarse dust, sampling of the respirable dust fraction according to EN 481 (EN 481, 1993) is necessary. Even though the German TRK value is still based on the so-called "total carbon" (TC) concept (carbon dioxide in the respirable dust fraction due to combustion determined by coulometric measurement and recalculation as carbon), a procedure to determine elementary carbon was developed in Germany and put into practice. The introduction of specific limit values on the basis of elementary carbon is scheduled to take place in the autumn of 1996. (See procedure description by Dahmann et al. (1996) and in ZH 1/120.44 (1995). ) This method also requires respirable dust sampling on quartz fibre filters. Using inert gas, the filters are subjected to desorption/decomposition under high temperatures. The compounds to be desorbed (so-called "organic carbon" (OC)) are removed from elementary carbon and also determined after catalytic oxidation to CO2. As usual, the remaining elementary carbon is determined by oxygen combustion and subsequent coulometric titration. Since the introduction of this method, a great number of
Synthesis and X-ray crystal structures of two new alkaline-earth metal borates: SrBO2(OH) and Ba3B6O9(OH)6

Using hydrothermal techniques, two new compounds—strontium borate SrBO2(OH) and barium polyborate Ba3B6O9(OH)6—have been prepared. The structures of the title compounds were solved by single-crystal X-ray diffraction analysis. In the structure of SrBO2(OH), the Sr2+ ion is surrounded by eight oxygen atoms and the borate ion is identified as an individual [BO2(OH)]2− group. The structure of Ba3B6O9(OH)6 can be regarded as constructed from anionic borate chains, the negative charges of which are compensated for by the Ba2+ cations residing between the adjacent chains. The unusual feature of this compound can also be described in terms of infinite chains of B3O3 six-membered rings sharing B atoms, which are all tetrahedrally coordinated by oxygen atoms. The materials have also been characterized by infrared and energy dispersive spectroscopies, thermal analysis, and second harmonic generation powder measurement.
Adsorptive removal of Cd(II) ions from aqueous solutions by rice husk ash

This study deals with the adsorption characteristics of Cd(II) onto rice husk ash, low valued agricultural by‐product obtained during the rice processing from rice mill. The influences of pH, contact time, initial metal ion concentration, adsorbent concentration on the selectivity and sensitivity of the removal process were investigated. The optimum pH for adsorption was found to be 5 for Cd(II), and equilibrium was achieved within 2 h of contact time. Maximum adsorption of Cd(II) was obtained at an adsorbent dosage of 7.5 g/L, which may be considered as optimum adsorbent dosage level. Kinetics data were best described by pseudo‐second order model. The value of effective diffusion coefficient was of the order of 10−10 m2/s. The equilibrium adsorption data were better fitted to Freundlich isotherm models. The adsorption capacity (qmax) of rice husk ash for Cd(II) ions in terms of monolayer adsorption was 35.84 mg/g. The thermodynamic equilibrium constant and the Gibbs free energy were determined for and results indicated the spontaneous nature of the adsorption process. The adsorption energy calculated using Dubinin‐Radushkevich isotherm shows that adsorption of Cd(II) is chemical in nature. © 2009 American Institute of Chemical Engineers Environ Prog, 2009
Impact of Salinity on MS-2 Sorption in Saturated Sand Columns―Fate and Transport Modeling

This research investigated the sorption and transport of MS-2 in saturated sand under a wide range of salinities using one-dimensional column experiments. The salinity varied from 0 ppt (fresh water) to 30 ppt. The MS-2 in the fresh water showed very weak adsorption due to having the same negative charge as the sand. Increasing the salinity concentrations dramatically enhanced MS-2 adsorption. The MS-2 breakthrough revealed the existence of reversible and irreversible sorption sites in the sand. Salinity increased MS-2 attachment by compressing the double layers of MS-2 and reversible sorption sites. The salinity also changed some reversible sorption sites into irreversible sorption sites by reversing to positive surface charges of silica powder. An advection-dispersion-sorption model with a two-site reversible-irreversible kinetic sorption was developed to describe MS-2 breakthrough under different salinity conditions. The sorption parameters were estimated and their independence was evaluated by minimizing the total squared error of the MS-2 data. The proposed model showed good agreement with the experimental data for a wide range of salinity levels from fresh water to near seawater. The strong sorption shown in the MS-2 breakthrough at high salinity levels above 8 ppt was able to distinguish the proposed model from other sorption models. This study promotes the understanding of the viral sorption with salinity and provides a useful model for coastal management of viral migration in saline coastal groundwater.
Mechanism and Kinetics of Organostibine-Mediated Living Radical Polymerization of Styrene

Abstract The polymerization of styrene with a polystyrene-dimethylstibanyl (PS-SbMe2) adduct as a mediator and azobis(isobutyronitrile) (AIBN) as a conventional radical initiator was kinetically studied. PS-SbMe2 had no detectable effect on the polymerization rate Rp, which was virtually the same as that of the conventional (stibanyl-free) system. The pseudo-first-order activation rate constant kact was proportional to Rp, meaning that degenerative (exchange) chain transfer is the only important activation mechanism, in the examined range of temperature (40–100 °C). The exchange rate constant kex was sufficiently large at these temperatures, explaining why this polymerization can afford low-polydispersity polymers. The kex was about twice as large as that for polystyrene-methyltellanyl (PS-TeMe). This rationalizes the better polydispersity controllability in the PS-SbMe2 system than in the PS-TeMe system. The activation energy of kex was 22.6 kJ mol−1, which is smaller than that (27.8 kJ mol−1) for polystyrene-iodide (PS-I) and slightly larger than that (21.0 kJ mol−1) for polystyrene-dithioacetate (PS-SCSMe).
Impact‐resistant plastics from blends of poly(styrene/acrylonitrile) with ϵ‐caprolactone block copolymers

Impact-resistant resins resembling ABS were prepared by hot mixing poly(styrene/acrylonitrile) and rubbery ϵ-caprolactone block copolymers in the presence of small amounts of an organic peroxide. Measurements of optical properties and softening temperatures indicate that this discovery is a result of mutual solubility between the poly(styrene/acrylonitrile) and the poly-ϵ-caprolactone sequences of the block polymer. Advantages of the blend process over latex grafting include lower nonpolymer residue, better color, and more versatility. Disadvantages are slightly lower softening temperature and less surface gloss. Tensile strength, flexural modulus, oil resistance, and melt flow-impact strength relationship are similar. Versatility of the blend process was demonstrated in the development of transparent compositions.
Volatile components of the fruits of bachang (Mangifera foetida Lour.) and kuini (Mangifera odorata Griff.)

The volatile components of the fruits of bachang and kuini were analysed by capillary GC and GC–MS following isolation by simultaneous steam distillation-extraction. Eighty-four components were identified in the bachang fruit volatiles and seventy-three in the kuini. Among the bachang fruit volatiles, esters (55.7%) and oxgenated monoterpenes (20.3%) were dominant, with ethyl butanoate (33.4%) the most abundant. Oxygenated monoterpenes (45.4%) and esters (33.0%) constituted the main classes of kuini fruit volatiles, and α-terpineol (31.9%) was the major component. The volatile composition of these fruits differs significantly from results reported for the fruits of some of the commercially important mango cultivars.
New Solution of the Ising Problem for a Rectangular Lattice

A new solution of the Ising problem for a rectangular lattice is derived from first principles. The solution, which is obtained algebraically, can be presented in a determinantal form different from though related to that found by Kac and Ward. By connecting the algebraic approach with the combinatorial solution, the latter is freed from dependence on topological conjectures. The new solution is considered to be fundamentally simpler than the others.
Hyperbranched cyclic and multicyclic polymers by “a2+b4” polycondensations

At first, theoretical aspects of "a 2 +b 4 " polycondensations (meaning polycondensations of difunctional and tetrafunctional monomers) are discussed and compared with what is known about "a 2 +b 3 " polycondensations. The following review of experimental results is subdivided into three sections. First, syntheses of hyperbranched polyethers and polyesters by polycondensations based on equimolar feed ratios will be reported. Second, kinetically controlled (i.e., irreversible) syntheses of multicyclic polymers using equifunctional feed ratios (i.e., a 2 / b 4 ratios of 2:1) will be described. In the third section, syntheses of multicyclic polymers via thermodynamically controlled (reversible) "a 2 +b 4 " polycondensations will be discussed. Characteristic for these polycondensations are again equifunctional feed ratios and metal alkoxides as "a 2 " or "b 4 " monomers, which catalyze rapid equilibration reactions. Finally, potential applications of the new polymers will shortly be mentioned.
Driving frequency dependence of capacitively coupled plasmas in atmospheric argon

The role of the driving field frequency fd of a cool atmospheric plasma (CAP) is investigated for values around using a two-dimensional fluid numerical model applied to a parallel plate configuration. It is found that keeping the voltage constant the current amplitude roughly scales with ; a tendency that can be understood using a RC circuit model of the plasma-sheath configuration. Moreover, it is seen that the electron density increases faster than the density of the excited species. This implies that plasma heating will increase relatively more than plasma reactivity so that the basic feature of the CAP, to be cool and reactive, will weaken for increasing fd-values.
The chemical oxidation of catechins and other phenolics: A study of the formation of black tea pigments

The chemical oxidation of polyphenols has been used to produce black tea pigments. (+)-Catechin, (−)-epicatechin, (−)-epicatechin gallate and (−)-epigallocatechin gallate were isolated from convenient sources, their identity being confirmed by mass spectrometry and HPLC. The oxidation of a mixture of (−)-epicatechin gallate and gallic acid gave an oxidation product of (−)-epicatechin gallate in addition to epitheaflavic acid 3-gallate. The catechins were oxidised chemically and the products analysed by HPLC, the chromatograms being compared with a black tea chromatogram. The reactions gave both resolved and unresolved pigments, and many of the resolved pigments had HPLC retention times close to black tea pigments. Each catechin behaved differently, the chromatograms of the oxidation products from each starting material being clearly distinguishable. Resolved pigments were obtained by the chemical oxidation of other phenolic compounds. This work provides a convenient method for studying the formation of resolved and unresolved black tea pigments.
L'interférence des rayons X dans les systèmes à stratification désordonée

The scattering of X-rays by parallel layers in disordered stacking is calculated, taking account of the number of layers per stack. The result is a more general formula than that obtained by Hendricks & Teller for random stacks of an infinite numbers of layers. Systems with complete or partial randomness are discussed. The latter case comprises crystals with `mistakes'. The influence of the nature of the mistakes (accidental shifts, or twinning along certain planes), is studied, as is also the influence of their distribution.
Kinetics of the photocatalytic total oxidation of different alkanes and alkenes on TiO2 powder

Although photocatalyzed total oxidation reaction of hydrocarbon species has been discussed in the literature, most of these studies were performed to obtain an appropriate reaction mechanism. Studies on the kinetics of this type of reaction are rare. Using titanium dioxide as the photo catalyst, the kinetics of the total oxidation of methane, ethane, ethene, as well as propene, have been investigated using a continuous-stirred tank reactor. In the experiments, the hydrocarbon concentrations, the oxygen concentration, and the irradiation intensity were varied. The results obtained are evaluated on the basis of a kinetic model to derive rate equations which can be used for reactor design.
FACTORS AFFECTING PURGE LOSSES IN PORTION CONTROLLED STEAKS

Weight losses, as purge, and pH were monitored during storage of strip loin, tenderloin, and top sirloin steaks to investigate factors that affect purge losses in portion controlled steaks. Purge losses and pH were monitored over time (6, 10, 14, 18, 22 and 26 days), across temperature and in individual and multiple steak packages (strip loin, n = 4; tenderloin, n = 7; top sirloin, n = 10). Top sirloin steaks had the greatest purge loss (%) and strip loin steaks had the lowest purge loss (%) across all treatments. In general, purge losses (%) increased and pH decreased during storage of all three steak types; however, storage temperature did not influence (P >0.10) purge loss. Total purge loss and purge loss as a percent of steak weight was significantly higher (P < 0.05) in multiple steak packages as compared to single steak packages. Correlations between the number of steaks in a package and purge losses were highly significant (P < 0.001) across all three steak types. Within a steak type, the number of steaks in a package explained 59, 75 and 89% of the variation in total purge losses in strip loin, tenderloin, and top sirloin steaks, respectively. Across all steak types, total purge loss increased quadratically as package weight increased (R2=0.89) emphasizing a greater total purge loss per steak in the multiple steak packages than in the individual steak packages. These data suggest that package size (steak number) has a greater influence on the amount of purge in portion sized strip loin, tenderloin and top sirloin steaks than storage time or storage temperature.