Miracle-dz/UniFAR-FTUs huggingface dataset:
Disposable biosensor based on a hemoglobin colloidal gold-modified screen-printed electrode for determination of hydrogen peroxide

A disposable reagentless hydrogen peroxide biosensor based on the direct electrochemistry of hemoglobin immobilized on a colloidal gold-modified screen-printed carbon electrode (Hb-Au-SPCE) was proposed. The electrochemical behavior of immobilized Hb at a SPCE was studied for the first time. The electrode reaction of immobilized Hb showed a surface-controlled process with an electron transfer rate constant of (0.40 /spl plusmn/ 0.02) s/sup -1/ determined in the scan rate range from 25 to 200 mV s/sup -1/. The Hb-Au-SPCE exhibited an electrocatalytic activity toward the reduction of hydrogen peroxide with a K/sub M//sup app/ value of 1.8 mM, which was allowed to be used as a disposable sensor for determination of hydrogen peroxide with a linear range from 1.0 /spl times/ 10/sup -5/ M to 3.2 /spl times/ 10/sup -4/ M, a detection limit of 5.5 /spl times/ 10/sup -6/ M at 3/spl sigma/, a high sensitivity, fast response, and good selectivity, accuracy, and reproducibility. The disposable reagentless sensor was stable, low cost, and simple to use for detection of hydrogen peroxide in real samples.
Structural studies of silicate glasses and melts—applications and limitations of Raman spectroscopy

Raman spectroscopy studies of alkali and alkaline earth silicate glasses and melts are reviewed, and the major Raman bands observed are summarized. To realize the full potential of Raman spectroscopy will require a detailed understanding of their vibrational properties in relation to structure. A number of vibrational calculations have been carried out to address this problem. These are briefly summarized, and some limitations of the method are noted. Systematic variations in bulk properties are examined for viscosity and the immiscibility behavior.
Direct conversion of carbohydrates to 5-hydroxymethylfurfural using Sn-Mont catalyst

5-Hydroxymethylfurfural (HMF) is a very important intermediate in the fine chemical industry. This study aims to investigate the direct conversion of glucose or glucose-based carbohydrates, such as sucrose, cellobiose, inulin, starch and cellulose, to HMF by using a Sn-Mont catalyst. With the use of this catalyst, a HMF yield of 53.5% was achieved from glucose in a mono-phase medium of tetrahydrofuran (THF)/dimethylsulfoxide (DMSO) at 160 °C for 3 h. The success of one-step conversion of glucose to HMF is attributed to the Sn-Mont catalyst containing two types of acid sites, Lewis acid and Bronsted acid sites. The former one plays a crucial role in the isomerization of glucose to fructose and the latter one is active in the dehydration of generated fructose to HMF. Furthermore, Sn-Mont catalyst also demonstrated excellent activity in the conversion of disaccharides and polysaccharides and as high as 39.1% HMF was directly obtained from cellulose in a THF/H2O–NaCl bi-phasic system.
Heat stress in growing pigs

Compared to other species of farm animals, pigs are more sensitive to high environmental temperatures, because they cannot sweat and do not pant so well. Furthermore, fast-growing lean pigs generate more heat than their congeners living in the wild. This, in combination with confined housing, makes it difficult for these pigs to regulate their heat balance. Heat stressed pigs have low performance, poor welfare, and, by pen fouling, they give higher emissions of odour and ammonia. Above certain critical temperatures (inflection point temperatures) pigs start to adapt their mechanisms of balancing heat loss and heat production. The inflection point temperatures above which the responses change may well differ depending on which animal parameter is studied. Within this thesis, firstly, these critical temperatures were determined for different physiological, behavioral and production parameters. Secondly, the effect of different cooling systems on these parameters was studied. In order of appearance we found inflection point temperatures for lying on slatted floor, respiration rate, evaporative water, ratio of water to feed intake, total heat production, activity heat production, voluntary feed intake and rectal temperature. These inflection point temperatures were different for the different parameters and show the subsequent strategies the pig follows at increasing temperatures. Relative h umidity had minor effects on physiological parameters. However, a combination of high relative humidity and high temperature showed a detrimental effect on daily gain. The availability of cooling systems, e.g. floor cooling, water bath or sprinklers, had beneficial effects on pigs' performance. It is concluded that high ambient temperatures strongly affect physiology, behaviour and performance of growing pigs. The inflection point temperatures found in this study are good indicators of heat stress. These can be used as set points for cooling systems. Cooling systems improve animal performance and welfare under high temperature conditions.
Principles of Adsorption and Reaction on Solid Surfaces

The Structure of Solid Surfaces and Adsorbate Overlayers. Adsorption I: The Binding of Molecules to Surfaces. Adsorption II: Adsorption Isotherms. Adsorption III: Kinetics of Adsorption. Introduction to Surface Reactions. Rate Laws for Reactions on Surfaces I: Kinetic Models. A Review of Reaction--Rate Theory. Models of Potential Energy Surfaces: Reactions as Curve Crossings and Electron Transfer Processes. Rates and Mechanisms of Surface Reactions. Index.
Rapid optimization of chemical parameters affecting supported liquid membranes

Abstract Supported liquid membranes (SLMs) provide a flexible and selective approach to the separation and enrichment of chemical species. Traditional methods used to optimize the chemical and physical parameters of an SLM system have been found to be tedious and cumbersome. An alternative approach is suggested, and the application of the approach is demonstrated. The proposed approach depends on the optimization of principally the chemical components, with an indication of the impact of physical components on a scaled-down membrane arrangement. An in-situ measurement technique is used to monitor the effect of key parameters on important performance criteria.
Effect of Fermentation, Blanching, and Drying Temperature on the Fuctional and Chemical Properties of Cassava Flour

Cassava (Manihot esculenta crantz) was processed into flour by fermentation, blanching, and drying. Portions of the tuber were naturally fermented for 2, 3, and 4 days, and each was oven dried at temperatures of 60, 80, and 90°C and then milled to obtain naturally fermented cassava flours. Other portions were blanched for 3, 6, 9, and 12 min, and each similarly dried at 60, 70, 80, and 90°C and milled to produce blanched cassava flour. The last portion, which formed the control, was simply sun-dried. The bulk density, gelation capacity, water absorption, swelling index, and viscosity were investigated. Blanching was found to improve the functional properties of the flour. Residual cyanide was more commonly found in blanched samples than in both the fermented and control groups. Increasing the fermentation period was found to reduce both viscosity and residual cyanide, whereas increasing the drying temperature led to more residual cyanide in the fermentation and blanched samples. Fermented samples had lower pH (higher total titrable acidity) than both control and blanched samples. The blanched samples had lower moisture content than control and fermented samples.
A review of ultrafine particles as antiwear additives and friction modifiers in lubricating oils

This paper gives an overview of developments in the use of ultrafine particles in lubricating oils to reduce wear and friction. Work on several types of particles, such as graphite, MoS2, PTFE, BN, fullerene, and Cu, as well as more novel and unusual particles used as lubricant additives, is reviewed. The paper summarises the results of a number of workers in this field. The tribological mechanism by which ultrafine particles operate is considered, and some conclusions, including possible future directions for research, are drawn.
Lignin dynamics in two 13C‐labelled arable soils during 18 years

Lignin has long been considered a relatively stable component of soil organic matter. However, recent studies suggest that lignin may turn over within years to decades in arable soil. Here we analysed lignin concentrations in an 18‐year field experiment under continuous silage maize, where two soils were sampled at six points in time. Our objectives were to examine the long‐term dynamics of (i) lignin derived from a previous C3‐vegetation and (ii) lignin derived from maize, as influenced by two levels of maize biomass input. Total lignin concentrations in soil were quantified by gas chromatography of lignin cupric oxide oxidation products. Compound‐specific 13C isotope analysis allowed discrimination between C3‐derived lignin and maize‐derived lignin. Degradation dynamics of C3‐derived lignin were independent of biomass input level, suggesting that priming did not affect soil lignin concentrations. After 18 years, approximately two‐thirds of the initial C3‐derived lignin remained in the soils, whereas, on average, 10% of the recent maize‐derived lignin input was retained. We suggest that lignin is effectively stabilized in these arable soils, although the mechanisms involved remain unclear.
MARKOV CHAIN MODEL FOR SEQUENCES OF FIELD WORKDAYS

A computer program was written to estimate from sequential data the parameters for a Markov chain probability model. The program was applied to the analysis of field workday probabilities at 10 selected locations across Canada. The suitability of the first-order Markov chain model was tested and the locations across Canada were compared as to the probability and conditional probabilities of workdays. These probabilities estimated by the program also provide data which should be of interest in farm machinery selection.
A PHYSICAL CHEMIST'S GUIDE TO APPLIED COMPUTATIONAL CHEMISTRY: PRACTICAL CALCULATION OF POLYPROTIC ACID PKA VALUES, MERCURY HALIDES, THIOLS, AND METHYLMERCURY ANALOGUES' STABILITIES AND STRUCTURES, AND RAMAN SPECTRA OF MYO-INOSITOL HEXAKIS PHOSPHATE.

Title of Document: A PHYSICAL CHEMIST'S GUIDE TO APPLIED COMPUTATIONAL CHEMISTRY: PRACTICAL CALCULATION OF POLYPROTIC ACID PKA VALUES, MERCURY HALIDES, THIOLS, AND METHYLMERCURY ANALOGUES' STABILITIES AND STRUCTURES, AND RAMAN SPECTRA OF MYO-INOSITOL HEXAKIS PHOSPHATE. Merle McKinley Dickerson Zimmermann, Ph. D. , 2011 Directed By: Dr. John Tossell, Chemistry Department In this thesis, we present both ab-initio investigation of the series of compounds HgClx and the charges of each system running x=(0,1,2,3,4) and y=(+2,+1,0,-1,-2). We investigate the energies of formation using Gaussian 03 (G03), a quantum chemistry package. In our calculations, HgCl3 was most stable in the gas phase, and HgCl2 the most stable in the polarizable continuum model water-solvated phase. The addition of a solvent layer of H2O molecules did not significantly affect the results. DFT calculations on the series running between HgCl, through HgCl2, and HgCl3 compounds done with the Amsterdam Density Functional (ADF) program from Scientific Computing and Modeling (SCM) yielded absolute Hg NMR shieldings with a Δ of approximately -1000 ppm for each additional atom of Chlorine bonding to the Mercury for the first two additions. We also investigate H3PO4, H3AsO4, and the HClOx acid series with x=(1,2,3,4). We have succeeded in determining pKas with theoretical quality results within 2 kcal/mol of experimental measurement for the majority of the systems examined by use of a discovered linear correlation between experimental and calculated pKa values. Finally, we present our contribution to a joint project involving myo-inositol hexakis phosphate with an experimental group, confirming the observed experimental trends seen in the Raman spectra. A PHYSICAL CHEMIST'S GUIDE TO APPLIED COMPUTATIONAL CHEMISTRY: PRACTICAL CALCULATION OF POLYPROTIC ACID PKA VALUES, MERCURY HALIDES, THIOLS, AND METHYLMERCURY ANALOGUES' STABILITIES AND STRUCTURES, AND RAMAN SPECTRA OF MYO-INOSITOL HEXAKIS PHOSPHATE.
Effect of refining on the quality and composition of groundnut oil

Crude groundnut oil was obtained by solvent extraction from groundnut seeds and refined. The crude and refined oils were then analyzed. The results obtained show that the acid value decreased from 2.890 to 0.420 mg/KOH. Free fatty acid decrease after refining from 2.82 to 2.02%; phospholipids decreased from 23.11 to 5.53%; copper content decreased from 0.37 to 0.0361% and iron decreased from 3.98 to 0.31%. These can be viewed as an improvement in the quality of the oil after refining. Refining did not have much effect on the fatty acids composition except for slight inconsistent decrease in saturated and unsaturated fatty acids. Key words: Free fatty acids, phospholipids, crude, refined, gas chromatography.
Composition and stability of decagonal quasicrystals in the Zn-Mg-rare-earth systems

Decagonal quasicrystals in Zn-Mg-RE systems (RE = rare earth) have been studied for their composition and stability. The decagonal phase was shown to have the composition Zn Mg Dy in the Zn-Mg-Dy system. This phase 58 40 2 became a major phase after annealing and thus is apparently thermodynamically stable. Further, the decagonal phase was observed for RE = Y, Dy, Ho, Er, Tm and Lu. All these RE elements have Goldschmidt atomic diameters smaller than 3.55 A, suggesting that the atomic diameter is an intrinsic parameter in stabilizing the decagonal phase.
An efficient maximum entropy approach for categorical variable prediction

We address the problem of the prediction of a spatial categorical variable by revisiting the maximum entropy approach. We first argue that, for predicting category probabilities, a maximum entropy approach is more natural than a least‐squares approach, such as (co‐)kriging of indicator functions. We then show that, knowing the categories observed at surrounding locations, the conditional probability of observing a category at a location obtained with a particular maximum entropy principle is a simple combination of sums and products of univariate and bivariate probabilities. This prediction equation can be used for categorical estimation or categorical simulation. We make connections to earlier work on prediction of categorical variables. On simulated data sets we show that our equation is a very good approximation to Bayesian maximum entropy (BME), while being orders of magnitude faster to compute. Our approach is then illustrated by using the celebrated Swiss Jura data set.
Encrustation of cobalt doped copper ferrite nanoparticles on solid scaffold CNTs and their comparison with corresponding ferrite nanoparticles: a study of structural, optical, magnetic and photo catalytic properties

Cobalt doped copper ferrite nanoparticles and their nanocomposites with carbon nanotubes (CNTs) were synthesized by microemulsion method where sodium dodecyl sulphate was used as soft templating agent to control the particle size and shape. Powder X-ray diffraction technique confirmed the formation of cobalt doped copper ferrite nanoparticles and their corresponding nanocomposites. A significant decrease in the lattice parameter was observed using Le-bail refinement method which confirmed the doping of cobalt ion in to the copper ferrite lattice. Appearance of peak at around 25.9° indicated that CNTs remain unaffected during synthesis procedure. High Resolution Transmission Electron Microscopy (HR-TEM) was used to estimate the particle size, shape and uniformity of all the synthesized samples. Particle size was observed to be around 4–5 nm. A fine layer of ferrite nanoparticles on the surface of CNTs was also confirmed. Optical studies of the entire samples showed wide coverage of visible light spectrum from 675–1050 nm. Magnetic studies of the all samples were carried out using vibrating sample magnetometer and a significant increase in the saturation magnetization and coercivity values with cobalt ion doping was observed. This increase could be attributed to the higher magnetic moment of Co2+ ions (3 μB) as compared to Cu2+ ion (1 μB) at B-sub lattice. Comparative photocatalytic activity was also elevated and it was found that ferrite–CNTs nanocomposites show higher catalytic activities for the degradation of Rhodamine B dye in comparison with the ferrite nanoparticles.
Microfluidics with foams

Lab-on-a-chip devices can handle very tiny amounts of fluids, as small as a picolitre. Samples of gas are conveniently encapsulated and transported within bubbles. The generation of these calibrated bubbles involves specific microfluidic devices that we describe. When the bubble concentration is high enough in a channel, they come into contact, and they flow as a crystalline foam. The flow of the foams depends strongly on the arrangement of bubbles within the channel, which entails original dynamical behaviours such as super-stability of the flow, or on the contrary spontaneous oscillations.
Hygroscopic Study of Glucose, Citric Acid, and Sorbitol Using an Electrodynamic Balance: Comparison with UNIFAC Predictions

balance (EDB). The mass fraction of solute (mfs), dee ned as the ratio of the dry solute mass to the solution mass, of the additives was measured as a function of relative humidity (RH) at equilibrium. Bulk measurements and literature data suggest that these three additives all crystallize at their respective saturation conditions. However, crystallization or deliquescence was not observed for the suspended particles of the three additives. They behave as nondeliquescentmaterialsandsorbanddesorbwaterreversibly.At RH = 5%,citricacidparticlesstillcontain » 8wt%residualwater, which corresponds to a stoichiometry of citric acid monohydrate. Glucose and sorbitol particles are essentially water-free. Universal FunctionalActivityCoefe cient (UNIFAC)modelpredictsthewater activities of glucose, citric acid, and sorbitol (expressed as mfs of the particles ) to within §16%, 24%, and 6% of those determined by the EDB, respectively.
Optimization of Microwave-Vacuum Drying Parameters of Saskatoon Berries Using Response Surface Methodology

A combined microwave and vacuum system was used to dry the Saskatoon berries (Amelanchier alnifolia). A central composite rotate design and response surface methodology were used to determine the influence of process variables (microwave power, drying time, and fruit load) and arrive at optimal processing conditions to reduce the moisture content and water activity of the berries to a safe level. It is concluded that the yield of moisture content and water activity can be reduced to 20% and 0.50, respectively, for microwave power 5.7–6 kW, drying time 51.5–55 min, and fruit load 10–9.75 kg.
Flexible and Large‐Area Nanocomposite Generators Based on Lead Zirconate Titanate Particles and Carbon Nanotubes

25 ] provides a new concept and simple fabrication approach for low-cost self-powered energy systems. However, there are still the unresolved issues with ﬂ exible piezoelectric nanogenerators, such as insufﬁ cient output performance and size limitations before they can be commercialized for oper-ating sensor network systems. Here, we demonstrate a large-area and highly efﬁ cient NCG device using a bar-coating technique with inherently excellent piezoelectric PZT particles to signiﬁ cantly increase electric output performance. Due to the exceptional piezoelectric per-formance compared to other piezoelectric materials, PZT-based piezoelectric devices have been widely commercialized for not only energy harvesting devices
Biomass gasification in a bubbling fluidized bed reactor: Experiments and modeling

A model is presented for the gasification of beech wood particles in a bubbling fluidized bed gasifier (BFBG). The model encompasses the hydrodynamics of the solid and gas phases as well as the different reaction kinetics. It also accounts for the freeboard where additional homogeneous reactions take place. The influential impact of the pyrolysis step on the final composition of produced fuel gas was demonstrated by applying two different kinetic models for pyrolysis. Model results are compared with the experimental work of this study and other published results on wood gasification in BFBG. Effects of equivalence ratio (ER), steam to biomass ratio (SB), bed temperature, feed location, and mass transfer between the countercurrent regions (Kw) on the gas composition of product fuel gas are studied. The model shows good agreement with the experimental results. © 2006 American Institute of Chemical Engineers AIChE J, 2006
Syntheses and Crystal Structures of Three Polymeric Silver(I) Terephthalate Complexes with Organic N-Donor Ligands: [Ag(pren)]2(tp)·2H2O, [Ag(en)][Ag(μ2-tp)]·H2O, and [Ag2(μ4-tp)(apy)2]

Three polymeric silver(I) complexes with terephthalate anions as counterions or ligands, [Ag(pren)]2(tp)·2H2O (1), [Ag(en)][Ag(μ2-tp)]·H2O (2), and [Ag2(μ4-tp)(apy)2] (3) (where pren = 1, 2-propylenediamine, tp =terephthalate dianion, en = ethylenediamine, and apy = 2-aminopyridine) were synthesized and characterized by X-ray single crystal analysis and infrared spectroscopy. 1 crystallizes in the monoclinic space group P211/c with a = 11.3221(5), b = 7.1522(3), c = 14.8128(5)A, V = 1015.77(7)A3, β = 122.132(2), and Z = 2. 2 crystallizes in the orthorhombic space group Pnma with a = 9.6144(6), b = 11.3465(7), c = 11.4810(7)A, V = 1252.5(1)A3, and Z = 4. 3 crystallizes in the monoclinic space group P21/n with a = 8.2003(5), b = 5.8869(4), c = 18.3769(11)A, β = 92.593(1), V = 886.2(1)A3, and Z = 4. Terephthalate dianions are not coordinated to the metal atoms in 1, but act as a μ2-bridging ligand in 2 and as a μ4-bridging ligand in 3. Synthesen und Kristallstrukturen von drei polymeren Silber(I)-Terephthalat-Komplexen mit organischen N-Donorliganden: [Ag(pren)]2(tp)·2H2O, [Ag(en)][Ag(μ2-tp)]·H2O und [Ag2(μ4-tp)(apy)2] Drei polymere Silber(I)-Komplexe mit Terephthalat-Anionen als Gegenionen oder Liganden, [Ag(pren)]2(tp)·2H2O (1), [Ag(en)][Ag(μ2-tp)]·H2O (2) und [Ag2(μ4-tp)(apy)2] (3) (pren = 1, 2-Propylendiamin, tp = Terephthalat-Dianion, en = Ethylendiamin und apy = 2-Aminopyridin) wurden synthetisiert und mittels Rontgen-Einkristallstrukturanalyse sowie Infrarotspektroskopie charakterisiert. 1 kristallisiert in der monoklinen Raumgruppe P21/c mit a = 11.3221(5), b = 7.1522(3), c = 14.8128(5)A, V = 1015.77(7)A3, β = 122.132(2) und Z = 2. 2 kristallisiert in der orthorhombischen Raumgruppe Pnma mit a = 9.6144(6), b = 11.3465(7), c = 11.4810(7)A, V = 1252.5(1)A3 und Z = 4. 3 kristallisiert in the monoklinen Raumgruppe P21/n mit a = 8.2003(5), b = 5.8869(4), c = 18.3769(11)A, β = 92.593(1), V = 886.2(1)A3 und Z = 4. Die Terephthalat-Dianionen sind in 1 nicht an die Metallatome koordiniert, sind aber μ2-verbruckende Liganden in 2 und μ4-verbruckende Liganden in 3.