Miracle-dz/UniFAR-FTUs huggingface dataset:
Validated spectrophotometric for estimation of ceftazidime in dry powder for injection

The present manuscript describes simple, sensitive, accurate, precise and economical visible spectrophotometric method for estimation of c eftazidime in pharmaceutical dos age form. Method is based on the reaction of c eftazidime with Folin - Ciocalteu (FC) reagent in presence of 10 % sodium carbonate solution, giving blue colour chromogen, which shows maximum absorbance at 752 nm against reagent blank . Beer’s law was obeyed in the concentration range of 2.5 - 50 µg/ml. The method was successfully applied to pharmaceutical dosage form because no interference from the dosage form excipients was found. The results of analysis have be en validated statistically and by recovery studies .
Assessment of airflow patterns inside six industrial beef carcass chillers

Airflow patterns determine process efficiency in beef carcass chilling. An experimental study of air velocity in six industrial chillers (three batch and three continuous systems) afforded a diagnosis of their overall operation. However, the original experimental method did not provide an ideal chiller design: only configurations that were a priori more favourable for carcass chilling than others were identified. To complete the study, calculations were performed using computational fluid dynamics techniques. Applied to a continuous beef carcass chiller, this helped correct a dysfunction revealed in the experimental diagnosis, resulting in a marked lack of ventilation throughout about half the volume of the plant. Le flux d'air determine l'efficacite du procede de refroidissement des carcasses. L'etude experimentale de la vitesse de l'air a ete effectuee dans 6 chambres froides, 3 chambres etant munies de systemes en continu et les 3 autres de systemes discontinus. Des etudes de dynamique des fluides dans un systeme de refroidissement en continu a permis de corriger les dysfonctionnements a l'origine d'une ventilation insuffisante dans la moitie du volume de la chambre.
Power and flow characteristics of three rotor-stator heads

In-line rotor-stators are used in a wide range of industrial applications—primarily for dispersion processes such as emulsification, deagglomeration. Three rotor-stator heads have been used to investigate their performance in breaking up of nanoparticle clusters within a large project. This article reports the findings of a part of this study aimed at investigating the flow and power characteristics in single phase to highlight the differences of three different mixer heads. Power characteristics are determined using the calorimetry allowing the characteristic power numbers for these devices to be obtained. These are also compared with CFD calculations. Flow characteristics are studied through numerical simulations.
(Cyclopentadienyl)ruthenium-Catalyzed Regio- and Enantioselective Decarboxylative Allylic Etherification of Allyl Aryl and Alkyl Carbonates

(Cyclopentadienyl)tris(acetonitrile)ruthenium hexafluorophosphate {[CpRu(NCMe)3][PF6]} or (cyclopentadienyl)(η6-naphthalene)ruthenium hexafluorophosphate {[CpRu(η6-naphthalene)][PF6]} in combination with a pyridine oxazoline ligand efficiently catalyze the decarboxylative allylic rearrangement of allyl aryl carbonates. Good levels of regio- and enantioselectivity are obtained. Starting from enantioenriched secondary carbonates, the reaction is stereospecific and the corresponding allylic ethers are obtained with net retention of configuration. An intermolecular version of this transformation was also developed using allyl alkyl carbonates as substrates. Conditions were found to obtain the corresponding products with similar selectivity as in the intramolecular process. Through the use of a hemi-labile hexacoordinated phosphate counterion, a zwitterionic air- and moisture-stable chiral ruthenium complex was synthesized and used in the enantioselective etherification reactions. This highly lipophilic metal complex can be recovered and efficiently reused in subsequent catalysis runs.
The control of pollen transmission in maize by the 5' end of the Glu-1Dx5 gene from wheat

CHAPTER 1. LITERATURE REVIEW Introduction Pollen Development Physical Properties of Pollen Grains Problems of Inadvertent Pollination Proposed Mechanisms to Control Inadvertent Gene Flow Importance of Glu-1Dx5 Glu-1Dx5 Protein Structure HMW Structure 1Dx5 Function of Glu-1Dx5 in Wheat Expression of Glu-1Dx5 in Corn CHAPTER 2. THE CHARACTERIZA THON OF POLLEN TRANSMISSION OF GluI Dx5 IN TRANSGENIC MAIZE PLANTS Introduction Materials and Methods Results Discussion References ACKNOWLEDGEMENTS IV
Atomic charge models for polypeptides derived from ab initio calculations

Ab Initio charge distributions for amino acid dipeptides are derived utilizing two medium‐sized basis sets. Peptide charges differ in two ways from those of existing force fields: the magnitude of the peptide dipole and the dependency on the residue type. The merging of charge distributions of side chain and backbone fragments within a semiclassical model including polarization is investigated. Polarization plays a small, but distinct role in improving the correspondence with ab initio data derived for the complete dipeptide. A description in terms of partly overlapping, interacting fragments correlates well with the ab initio data. The method can be used to derive the electrostatic properties of biological macromolecules by combining accurate descriptions of short range interactions (using good quality basis sets on not too small fragments) with good classical models of long range interactions (using multicenter multipole expansions and atomic polarizability tensors). Factors limiting the accuracy of the present representations are discussed.
Comparison between time‐correlated single photon counting and fluorescence correlation spectroscopy in single molecule identification

Currently, two methods of detection and identification of single molecules are widely used: fluorescence correlation spectroscopy (FCS) and time-correlated single photon counting (TCSPC). We present a thorough theoretical analysis of the error rates for identifying single molecules according to their diffusion coefficients (using FCS), and to their fluorescence lifetimes (using TCSPC). In most cases, the error rate using TCSPC is much lower. TCSPC is thus proven to be more versatile for analyzing single molecule events. The study is significant for a broad range of ultra-sensitive fluorescence detection applications.
Determination of enantiomeric compositions of ibuprofen by infrared spectrometry with catalytic amount of simple chiral recognization reagent

Catalytic amount of cheap chiral recognization reagent (quinine) combined with chemometric and infrared spectroscopy (IR) is used for quickly and accurately determining the enantiomeric compositions of ibuprofen. First of all, full spectrum was used as input variable of partial least regression (PLS) to establish calibration model, good prediction rate of average error of 4.65% is obtained. Then, wavelet transform (WT) algorithm with strong compression ability is employed to get more concise model. The low-frequency coefficients are extracted by the simplest Harr wavelet function, and the as input variables to establish the calibration, and good prediction rate of average error of 3.60% is obtained. All the results show that the combination of partial least squares and infrared spectroscopy can be used for quickly and accurately predict the enantiomeric excess (ee) value of ibuprofen.
Photochemical surface modification and characterization of double-decker-shaped polysilsesquioxane hybrid thin films

The surface modification of a double-decker-shaped polysilsesquioxane (DDPSQ) film by deep ultraviolet (UV) irradiation (λ = 185 and 254 nm) was studied in the presence of atmospheric oxygen at room temperature. The change in the surface structure of a DDPSQ hybrid film was observed by means of contact angle measurements, Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). Exposure to deep UV light was found to convert the surface of DDPSQ film from hydrophobic to hydrophilic due to the formation of silanol groups (Si–OH) on the DDPSQ film. Measurements of FT-IR and XPS indicate that the Si–O–Si cage structure of DDPSQ was converted to the Si–O–Si network structure of SiO2 through cleavage of the Si–O–Si cage with deep UV irradiation. The irradiated DDPSQ film surface is very smooth with a root-mean-square (RMS) roughness of 0.34 nm. Moreover, to demonstrate the effect of surface modification of a DDPSQ film on the adhesion of metals, we fabricated silver (Ag) micropatterns on the deep UV modified DDPSQ film by laser-induced pyrolysis of a film prepared from liquid-dispersed Ag nanoparticles. The Ag micropatterns show an excellent adhesion to the modified DDPSQ surface as assessed by the Scotch tape test.
X‐ray fluorescence analysis of trace metals in environmental water using preconcentration with an iminodiacetate extraction disk

A simple and convenient x-ray fluorescence analysis procedure for trace amounts of Mn, Fe, Co, Ni, Cu, Zn, Cd, Hg and Pb in water was developed using preconcentration with an iminodiacetate extraction disk (IED). The IED was coated on both faces with commercially available laminate film to prevent x-ray damage to the IED by strong x-irradiation (4 kW; 50 kV, 80 mA) of the wavelength-dispersive x-ray fluorescence spectrometer. Lamination of the IED prolongs its life from 7 to about 200 min at 4 kW irradiation while negligibly decreasing the x-ray fluorescence. Lowering the power of primary x-rays to less than 1.5 kW compensated for the Hg evaporation. Linear calibration curves were obtained over the range 500 µg–5 mg for Mn, Fe, Co, Ni, Cu, Zn, Cd, Hg and Pb. Detection limits corresponding to three times the standard deviation of the blank intensity were 0.1–0.4 µg for Mn, Co and Ni, 0.5–0.8 µg for Fe, Cu, Zn and Pb and 7 µg for Cd. A spike test for 10 µg of eight analytes, excluding Mn, showed good recoveries (90–100%) for city water and rainwater. Analytical results for municipal tap water and rainwater agreed well with values obtained using atomic absorption spectrometry. Copyright © 2006 John Wiley & Sons, Ltd.
Desulfonation of biotransformation products from commercial linear alkylbenzenesulfonates

Earlier work shows that the biodegradation and biotransformation of commercial linear alkylbenzenesulfonate (LAS) as a carbon source for growth leads to a residue of sulfonated aromatic compounds, termed refractory organic carbon, from the synthetic by‐products. We now show that this refractory organic carbon, after separation from sulfate ion, is utilized extensively as a sulfur source for bacterial growth. The products of desulfonation are expected to be biodegradable, so we question the value of adjectives like refractory.
Cluster method for analysing surface X-ray diffraction data sets using area detectors

An automated cluster algorithm is described, applicable to any image where a signal is to be analysed. The algorithm is employed in the context of surface X-ray diffraction data and extended to automate the data reduction process, which at present limits both the lead time to and the reliability of the retrieved structural information. A detailed evaluation of the constraints used to automate surface X-ray diffraction data analysis is provided. To overcome limitations of the algorithm and the experiment itself in certain geometries, the full field of view of area detectors is exploited to obtain orders of magnitude improvements in data collection. The method extends the surface X-ray diffraction technique to new systems and highlights the often archaic approach to the analysis of data collected with a two-dimensional detector.
Synthesis and chemosensing behavior of fluorene‐based alternating copolymers containing ether side chains and Si–vinylene units in the main chain

Alternating copolymerization of 9,9-bis(3,6,9-trioxadecyl)-2,7-dibromofluorene (ODFl) or 9,9-bis(3,6-dioxaheptyl)-2,7-dibromofluorene with Si containing divinyl compounds, divinyldiphenylsilane (VPS), or divinyldimethylsilane (VMS) is investigated using the Mizoroki–Heck reaction with palladium(II) acetate. The corresponding alternating copolymer is obtained in the copolymerization of ODFl with VPS. The copolymerization of ODFl with VMS yields low molecular weight oligomers. Optical properties of the ODFl–VPS copolymer have been investigated with UV–vis absorption and photoluminescence (PL) spectroscopy. The ODFl–VPS copolymer shows absorption peaks due to π–π* transition and intramolecular charge transfer through σ–π moiety at around 330 and 360–400 nm, respectively. An emission peak is observed at 450 nm in the PL spectrum of the ODFl–VPS copolymer, and the PL quantum yield is 0.19. The PL spectroscopy of ODFl–VPS copolymer is investigated in the presence of Li+, Na+, and K+, and the intensity of emission peak is decreased by those metal cations, especially by Na+. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011.
Thermodynamic Properties of Air and Mixtures of Nitrogen, Argon, and Oxygen From 60 to 2000 K at Pressures to 2000 MPa

A thermodynamic property formulation for standard dry air based upon available experimental p–ρ–T, heat capacity, speed of sound, and vapor–liquid equilibrium data is presented. This formulation is valid for liquid, vapor, and supercritical air at temperatures from the solidification point on the bubble-point curve (59.75 K) to 2000 K at pressures up to 2000 MPa. In the absence of reliable experimental data for air above 873 K and 70 MPa, air properties were predicted from nitrogen data in this region. These values were included in the determination of the formulation to extend the range of validity. Experimental shock tube measurements on air give an indication of the extrapolation behavior of the equation of state up to temperatures and pressures of 5000 K and 28 GPa. The available measurements of thermodynamic properties of air are summarized and analyzed. Separate ancillary equations for the calculation of dew and bubble-point pressures and densities of air are presented. In the range from the solidif.
Un enfoque basado en conocimiento para la reutilización de frameworks

espanolLa Programacion orientada a objetos no solo facilita la reutilizacion de codigo sino que tambien proporciona disenos altamente reutilizables y extensibles como los frameworks. Un framework es una arquitectura generica definida a traves de una conjunto de clases abstractas y concretas interdependientes. El desarrollo de software basado en la reutilizacion de frameworks requiere la adaptacion de la arquitectura generica que estos definen. Esto no es una labor sencilla. No solo es necesario conocer las clases que los forman y sus relaciones estructurales, sino comprender las relaciones de colaboracion y el reparto de responsabilidades entre las clases. En este trabajo presentamos un enfoque basado en conocimiento que facilita la comprension y la adaptacion de frameworks. Dicho enfoque incluye la representacion explicita de las colaboraciones entre clases y del reparto de responsabilidades, asi como de las propias clases y sus relaciones estructurales. EnglishIn addition to facilitate code reuse, object-oriented programming also provides reusable and extensible designs such as frameworks. Frameworks are collections of interdependent abstract and concrete classes that define generic architectures. When developing software based on framework reuse, the new system is built by customizing the generic architecture defined by the framework. However, framework adaptation is not easy. It is necessary not only to know the classes and their structural relationships, but also to understand the responsability distribution and the collaborations among them. In this paper, we present a knowledge-based approach that simplifies framework understanding and adaptation. This approach includes the explicit representation of the collaborations among classes, the responsibility distribution, and the structural relationships.
Temporal Oscillations of Calcium, Magnesium, Potassium, and Sodium Dissolved Contents in an Agroforestry Catchment from the Atlantic Galicia

There is an increasing awareness worldwide of the conveyance of sediment-associated nutrients across eroding soil surfaces into receiving waters. The objective of this study was to analyze the temporal oscillations of concentrations as well as the exportation of calcium (Ca), magnesium (Mg), potassium (K), and sodium (Na) at the outlet of an agroforestry catchment. These macronutrients were measured in the drainage waters of a 36.3-km2 catchment located at the Valiñas River (Coruña, northwest Spain), where 560 samples were taken from 2003 to 2007. The water collection strategy was a stratified point sampling involving more frequent collections when flow was high. Element contents in the water were analyzed by inductively coupled argon plasma–mass spectrometry (ICP-MS). The dissolved content ranges were as follows: Ca between 4.47 and 20.7 mg L–1, Mg between 2.4 and 7.3 mg L–1, K between 1.13 and 8.6 mg L–1, and Na between 8.9 and 27.2 mg L–1. Significant correlations among all the analyzed elements were observed during the entire study period. Mostly, nutrient losses were related to degradation induced by soil erosion on the cultivated land portion of the catchment.
Selective Detection of Hg"II… Ions from Cu"II… and Pb"II… Using AlGaN/GaN High Electron Mobility Transistors

Bare Au-gated and thioglycolic acid functionalized Au-gated AlGaN/GaN high electron mobility transistors were used to detect mercury(II) and copper(II) ions. Fast detection of <5 s was achieved for thioglycolic acid functionalized sensors. The thioglycolic acid functionalization increased the sensitivity for detection of mercury by 2.5 times over the bare Au-gated surface. Both surfaces had a selectivity of approximately 100-fold over other contaminating ions of sodium, magnesium, and lead and can be easily recycled. Our results show that portable, selective, and fast Cu 2+ and Hg 2+ sensors can be realized by combining bare Au-gated and thioglycolic acid-functionalized surface in one sensor.
Effect of Quick Lime and Dolomite Application on Mobility of Elements (Cd, Zn, Pb, As, Fe, and Mn) in Contaminated Soils

Weakly acidic Litavka and alkaline Malin soils are good examples of multi-contaminated soils in the Czech Republic. The aim of this study was to investigate the effects of different application rates of quick lime (lime) and dolomite on the mobility of cadmium, zinc, lead, arsenic, iron and manganese. Additives were applied to soil samples at three rates and incubated for 7, 14, 28, and 42 days. Plantavailable (extracted by CaCl2) and acid-extractable (extracted by CH3COOH) concentrations of elements were determined by inductively coupled plasma-optical emission spectrometry (ICP-OES). In alkaline soil, there was no effect of lime and dolomite application on concentrations of elements. In acid soil, there was a decrease in plant-available concentrations of Cd and Zn, no effect on plant-available Fe and Mn concentrations, and a slight increase in plant-available Pb and As concentrations after lime application. With the exception of a decrease in Pb and Mn concentrations, the same trends were observed for acid-extractable concentrations of elements. Dolomite application was less effective than lime application. The effect of dolomite on the immobilization of elements increased with increasing application rates. There was a weak effect of time during incubation on changes in concentrations of elements. We concluded that high immobilization efficiency of alkaline additives on Cd and Zn can be recorded only on acid soils. Application of lime and dolomite is an ineffective measure to immobilize Pb and As in both acid or alkaline soils.
Durability test of PVP‐capped Pt nanoclusters counter electrode for highly efficiency dye‐sensitized solar cell

In this paper, the durability of PVP‐capped Pt nanoclusters counter electrode (PVP‐Pt CE) for dye‐sensitized solar cell (DSSC) has been extensively evaluated including electrochemical reaction durability, thermal stress durability and light soaking durability. It is revealed that PVP‐Pt CE exhibits both electrochemical and thermal durability by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) test. Moreover, DSSC containing PVP‐Pt CE shows over 9.37% conversion efficiency in highly volatile electrolyte system. As to device thermal durability, both low‐volatile and non‐volatile electrolyte systems were tested and the results show relative efficiency can maintain more than 85% after accelerated thermal test at 85°C for 1000 h, and 110% after 60°C for 1000 h. Finally, after continuous light soaking test under 60°C for 1000 h, the relative efficiency can still maintain at 94%. Copyright © 2011 John Wiley & Sons, Ltd.
Surface characterization and ageing of ultraviolet–ozone‐treated polymers using atomic force microscopy and x‐ray photoelectron spectroscopy

Ultraviolet–ozone (UVO) treatment of poly(ethyleneterephthalate) (PET) films and polystyrene (PS) dishes of up to 10 min exposure has been studied. Surface polarity, oxygen chemisorption and topographical change were analysed by contact angle measurement, x-ray photoelectron spectroscopy and atomic force microscopy. Studies of the treated surface reveal the chemistry behind the increasing oxygen content. The oxidation process is shown to proceed via different mechanisms for the two polymers. Polyethyleneterephthalate appears to undergo a Norrish-type chain depolymerization reaction, whereas PS undergoes a much more random chain scission attack. Atomic force microscopy analysis shows an increase in the surface roughness with increasing exposure to UVO for both polymers, with grains of low-molecular-weight oxidized material (LMWOM) forming at the surface. This material can be removed by washing. Surfaces that remain after washing have a higher concentration of oxygen species than the native surfaces. Analysis of aged surfaces shows that for oxidized PET a relaxation process occurs, lowering the levels of surface oxygen. This appears to occur due to the diffusion of LMWOM into the PET bulk. Relaxation of the oxidized PS surface is less thermodynamically favourable owing to the apolar nature of the PS. Copyright © 2000 John Wiley & Sons, Ltd.
Limitations to Use of Infrared Spectroscopy for Rapid Determination of Carbon-Nitrogen and Wood Density for Tropical Species

Infrared (IR) spectroscopy was used as a rapid and non-destructive method to determine, carbon (C), n itrogen (N) and tree wood density.A total of 82 sample cores were scanned in the reflectance mode fro m 4000 to 400 cm -1 for mid-infrared (MIR) spectra and fro m 8000 to 4000cm -1 and 11000-4000cm -1 for near infrared (NIR) spectra. The reference values for C and N were measured using combustion method while wood density was calculated using auger method. Calibrat ion equations were developed using partial least-squares and first derivative spectra. Root mean square error (RM SEP) was used to calculate prediction error. Predict ion of Cusing MIR spectra gave R 2 = 0.59, RMSEP = 0.02; NIR spectra R 2 = 0.50, RMSEP = 0.02, whileN predict ion usingMIR spectra had R 2 = 0.54, RM SEP = 0.22; NIR spectra R 2 = 0.48, RM SEP =0.24. Wood density prediction was fair for MIR (R 2 = 0.79, RMSEP = 0.14); NIR (R 2 = 0.69, RMSEP = 0.17). Improved predictions using NIR were for extendedspectral range;though accuracies were inferior to MIR. Both MIR and NIR models showed good potentials to be used as rapid and cost effective method of predict ing C-N andwood density.