Miracle-dz/UniFAR-FTUs huggingface dataset:
pH‐metric Solubility. 1. Solubility‐pH Profiles from Bjerrum Plots. Gibbs Buffer and pKa in the Solid State

If measurements of solubility were not so laborious, slow, and consuming of sample, solubility-pH profiles would be used more often at the initial stages of drug discovery to screen out molecules with problematic pharmacokinetic profiles. An automated potentiometric titration method for solubility measurements, which addresses some of the shortcomings of the traditional methods, is described. A simple graphical procedure for estimating solubility constants, based on Bjerrum difference plots, is developed, and the relationships between titration data and solubility-pH profiles for mono- and diprotic ionizable substances are explored, drawing on generalized mass-balance based simulation methods. One useful derived equation (valid in a solution where part of the sample precipitates early in the titration) is: log So = log (C/2) - |ΔpKa| where C is the sample concentration, So is the intrinsic solubility of the unchanged substance, and ΔpKa = pKappa - pKa, the difference between the apparent pKa determined under conditions of precipitation and the true pKa, measured in the absence of the solid phase. The relationship holds in both aqueous and cosolvent solutions (e.g. dimethylsulphoxide-water). The properties of the state where an unchanged substance (e.g. HX) coprecipitates with its ionized form (e.g. X− salt) were explored. A super buffer, termed the Gibbs buffer, was formed and characterized by an ionization constant, pK(s)a, of the substance in the solid state. It was shown that pK(s)a - pKa = log SHX - log SX, where SHX and SX refer to the solubility constants of HX and X species. Flurbiprofen (acid), benzydamine (base), and buprenorphine (ampholye) were used to illustrate the experimental procedure. Our initial studies indicate that these new methods will meet many of the needs of not only discovery-stage researchers but also of preformulation and development scientists, traditionally concerned with solubility measurements.
Effects of osmolytes on protein–solvent interactions in crowded environments: study of sucrose and trehalose effects on different proteins by solvent interaction analysis

Partitioning of 11 different proteins and 30 small organic compounds was examined in aqueous dextran–PEG–sodium/potassium phosphate buffer (0.01 M K/NaPB, pH 7.4) two-phase systems (ATPSs) containing 0.5 M sucrose or 0.5 M trehalose. The data obtained were compared to those reported previously for the same compounds and proteins in osmolyte-free ATPS and ATPS containing 0.5 M TMAO (Breydo et al. (2015) Archives of Biochemistry and Biophysics. in press), and analyzed in terms of the so-called Collander linear solvent regression relationship. It was found that the logarithms of the partition coefficients of proteins in the presence of 0.5 M sucrose and trehalose are linearly interrelated. The structural distances of protein 3D structures relative to that of ribonuclease B were estimated. These estimates were shown to be linearly related to the previously reported values determined for the same proteins based on their responses to different ionic environments.
Development of composite insulators in China

The development of composite insulators in China dates back to the early 1970's. In the 1990's they have become widely used in China. At present, up to 600000 composite insulators are operating on 35 to 500 kV ac overhead transmission lines. They are to be introduced into the 500 KV HVDC transmission schemes. In China all composite insulators in service are silicone rubber and are operating in various Contamination conditions. They have successfully and efficiently avoided serious pollution flashover, which occurred frequently when conventional ceramic insulators were used, and radically reduced the maintenance cost of transmission lines in pollution areas. Study of composite insulators is very active in China. The main aspects include properties of materials such as silicone rubber and fiberglass reinforced polymer (FRP) rods, electrical and mechanical performance, aging as well as evaluation and inspection of composite insulators. These fruitful works greatly promote the development of composite insulators in China.
Sesquiterpenes from Curcuma wenyujin

Objective To study the chemical constituents from the dried rhizomes of Curcuma wenyujin Y.H. Chen et C.Ling. Methods The constituents were purified by repeated column chromatography,including Silica gel,Sephadex LH-20 column,ODS column,HPLC and preparative-TLC(P-TLC). The structures of these compounds were elucidated by spectroscopic methods.Results Six sesquiterpenes were isolated from the dried rhizomes of C.wenyujin and identified as procurcumenol(1),alismoxide(2),aeruginolactone(3),(1E,4Z)-8-hydroxy-6-oxogermacra-1(10),4,7(11)-trieno-12,8-lactone(4),1β,4α-dihydroxy-5α,8β(H)-eudesm-7(11Z)-en-12,8-olide(5)and curcolonol(6),respectively.Conclusions Compounds 45 are obtained from the Curcuma genus for the first time,and compounds 1,2,3,and 6 are isolated from C.wenyujin for the first time.
NEW QUANTITATIVE ESTIMATION OF SALICYLIC ACID BULK SAMPLE USING CALCIUM DISODIUM EDETATE AS HYDROTROPIC SOLUBILIZING AGENT

In the present investigation, hydrotropic solubilization technique has been employed to solubilize the poorly water‐soluble, keratolytic drug, salicylic acid (by 1.0 M calcium disodium edetate solution), for its titrimetric analysis. There was more than 45 fold enhancement in aqueous solubility of salicylic acid in 1.0 M calcium disodium edetate solution as compared to the solubility in distilled water. The hydrotropic agent did not interfere in the analysis. The proposed method is new, simple, accurate and reproducible. Statistical data proved the accuracy, reproducibility and precision of the proposed method.
The Theory of Value of Christian von Ehrenfels

Ehrenfels' principal writings on value theory belong to the early period of his creative life. their publication following immediately upon that of his classic paper "Über 'Gestaltqualitäten"'. They are:1 "Werttheorie und Ethik", a series of five articles published in 1893-94; "Von der Wertdefinition zum Motivationsgesetze", published in the Archiv für systematische Philosophie in 1896; "The Ethical Theory of Value", a revi! W of Meinong's Psycho­ logisch-ethische Untersuchungen zur Werttheorie, published in the International Journal of Ethics in 1896; and: System der Werttheorie, vol. I: Al/gemeine Werttheorie, Psycho­ logie des Begehrens (1897) and vol. II: Grundzüge einer Ethik (1898). All of these writings are now collected, with othcr, supplementary • 151
Mösbauer spectroscopic study of the decomposition mechanism of ankerite in CO2 atmosphere

Abstract Mössbauer spectroscopy has been used to identify the iron-containing products that are formed during the thermal decomposition of ankerite in a CO2 atmosphere. The decomposition takes place in three stages and evidence is produced to show that the first stage involves decomposition of ankerite to yield a periclase-wustite solid solution, (Mg,Fe)O, along with calcite and CO2, the periclase-wustite then reacting with CO2 to produce magnesioferrite (MgFe2O4) and CO. In the second stage the magnesioferrite and calcite react to produce periclase and dicalcium ferrite. The third stage does not involve reaction of Fe-containing phases and corresponds to the decomposition of calcite to CaO.
Oxygen Lewis Number Effects on Reduced Gravity Combustion of Methanol and n-Heptane Droplets

ABSTRACT Reduced gravity combustion experiments were performed aboard the International Space Station with individual methanol and n-heptane droplets that had initial diameters in the 1.2–5.0-mm-size range. Experiments were performed with air-inert mixtures at 0.1 and 0.07 MPa and about 298 K, where the monatomic gases helium and xenon were separately used as the added inert. These two gases have the same thermodynamic properties on a molar basis, but their transport properties are significantly different, allowing investigation of transport property effects, such as Lewis number variations on combustion phenomena. The results indicate that ambient gas transport properties play an important role in determining limiting oxygen indices as well as burning rates and radiant heat output histories of flames. However, comparison with drop tower data suggests that initial droplet diameters may not play a significant role in determining limiting oxygen index values.
Effect of Halide Treatments on PbSe Quantum Dot Thin Films: Stability, Hot Carrier Lifetime, and Application to Photovoltaics

Air stability and efficient multiple exciton generation (MEG) are crucial for the application of PbSe quantum dot (QD) thin film in next generation photovoltaics. Recently it was reported that PbS QD thin films with solid-state halide atomic ligands exhibited superior performance in terms of stability and efficiency. There is great interest in applying these halide ligands to PbSe QD thin films to improve the stability, while their additional effects on the hot carrier dynamics and hence MEG efficiency remain unknown. Here, we demonstrate that proper halide treatments can modify both the stability and hot carrier thermalization of a PbSe QD thin film. This confirms that using proper halide ligands in the solid-state ligand exchange step for film fabrication can significantly improve the stability. The film subjected to an iodide treatment exhibited the best air stability, and additionally its hot carrier thermalization time can be three times longer than that with a chloride treatment. We suggest that str.
MODELLING AND SIMULATION OF CARBONATION PROCESS OF AMMONIACAL BRINE I KINETIC MODEL OF CARBONATION REACTIONS

The mechanism and kinetics of the carbonation process of the ammoniacal brine were analysed in this paper. Chemical reactions involved in the carbonation process were considered as three consecutive and reversible steps: the first reaction between CO 2 and NH 3 is a fast one, which takes place within the liquid film, while the hydrolysis of NH 2COO - and precipitation of NaHCO 3 are slow reactions and taken place in the liquid bulk. Mathematical models for the reactions within the film and the bulk were proposed, respectively. Model simulations revealed that there are four resistances exisfed for CO 2 absorption: gas side mass transfer, liquid film, bulk hydrolysis and precipitation, and each of them can become rate determining step successively as carbonation degree increases from low level to high level.
Dimensional metrology with scanning probe microscopes

Dimensional measurement of surface topography with a probe microscope requires surface proximity sensing, probe position measurement, a probe with known shape, and careful analysis of the image generated. Our probe microscope contains some novel features. The proximity detector is a magnetically constrained rocking‐beam force sensor stabilized with a capacitance‐based force‐balance system. This sensor accepts a wide range of probe tips, which are fabricated separately. The probes are either focused‐ion‐beam etched metal or chemically etched optical fibers. We show measurements of features arising from semiconductor manufacture.
A STUDY ON TREATMENT OF PAPERMAKING WASTEWATER BY WO_3/α-Fe_2O_3/W AS HETEROGENEOUS PHOTOCATALYST

Papermaking wastewater was treated by a photocatalytic oxidation process. Reaction mechanism of photocatalysis was probed. The active order of photocatalyst was compared. The effects of primary factors on the removal efficiencies of COD and colority were discussed. The experimental results indicate that the removal efficiencies of COD and colority in papermaking wastewater can reach 68.3% and 71.2% respectively by using WO 3/α Fe 2O 3/W as heterogeneous photocatalyst, with the composition of heterogeneous photocatalyst=75∶24∶1, quantity=0.500 g, pH= 6.5, illumination=22 h.
Bioaccumulation and excretion of arsenic compounds by a marine unicellular alga, polyphysa peniculus

Polyphysa peniculus was grown in artificial seawater in the presence of arsenate, arsenite, monomethylarsonate and dimethylarsinic acid. The separation and identification of some of the arsenic species produced in the cells as well as in the growth medium were achieved by using hydride generation–gas chromatography–atomic absorption spectrometry methodology. Arsenite and dimethylarsinate were detected following incubation with arsenate. When the alga was treated with arsenite, dimethylarsinate was the major metabolite in the cells and in the growth medium; trace amounts of monomethylarsonate were also detected in the cells. With monomethylarsonate as a substrate, the metabolite is dimethylarsinate. Polyphysa peniculus did not metabolize dimethylarsinic acid when it was used as a substrate. Significant amounts of more complex arsenic species, such as arsenosungars, were not observed in the cells or medium on the evidence of flow injection–microwave digestion–hydride generation–atomic absorption spectrometry methodology. Transfer of the exposed cells to fresh medium caused release of most cell–associated arsenicals to the surrounding environment.
Analytical model of a gas phase field ionization source

High resolution focused ion beam technology is based on the use of field ionization sources. The most widely used source by far is the liquid metal ion source (LMIS) and most focused ion beam systems today employ it. The gas phase field ionization source (GFIS) is hardly employed today except in field ionization microscopy, but present day technology would allow its unique properties vis a vis the liquid metal ion source, including smaller virtual source size and energy spread, and the ability to produce ions from H, He, and heavier noble gases, to be exploited. If the GFIS is used as an ion source for a focusing column it would be useful to be able to calculate its emission properties (current versus voltage) as a function of emitter shape (a parameter not variable in a LMIS). Such a calculation had not been done precisely based on realistic emitter shapes. In this work, a theoretical description of the mechanism for ion production in a GFIS is presented. The comparison of the result with the experimenta.
Uptake of HNO 3 to deliquescent sea-salt particles: a study using the short-lived radioactive isotope tracer 13 N

Abstract. The uptake of HNO 3 to deliquescent airborne sea-salt particles (RH = 55%, P = 760 torr, T = 300 K) at concentrations from 2 to 575 ppbv is measured in an aerosol flow tube using 13 N as a tracer. Small particles ( 70 nm diameter) are used in order to minimize the effect of diffusion in the gas phase on the mass transfer. Below 100 ppbv, an uptake coefficient ( g upt ) of 0.50 ± 0.20 is derived. At higher concentrations, the uptake coefficient decreases along with the consumption of aerosol chloride. Data interpretation is further supported by using the North American Aerosol Inorganics Model (AIM), which predicts the aqueous phase activities of ions and the gas-phase partial pressures of H 2 O, HNO 3 , and HCl at equilibrium for the NaCl/HNO 3 /H 2 O system. These simulations show that the low concentration data are obtained far from equilibrium, which implies that the uptake coefficient derived is equal to the mass accommodation coefficient under these conditions. The observed uptake coefficient can serve as input to modeling studies of atmospheric sea-salt aerosol chemistry. The main sea-salt aerosol burden in the marine atmosphere is represented by coarse mode particles (> 1 µm diameter). This implies that diffusion in the gas-phase is the limiting step to HNO 3 uptake until the sea-salt has been completely processed.
Aroma composition of 2‐year‐old New Zealand Pinot Noir wine and its relationship to sensory characteristics using canonical correlation analysis and addition/omission tests

Background and Aims Relationships between the chemical composition and the sensory perception of red wines are generally poorly understood. In New Zealand, the vineyard area of Pinot Noir has increased markedly and wines from this red cultivar now constitute a significant proportion of total production. The aim of this study was to identify aroma compounds of major sensory significance in New Zealand Pinot Noir wines. Methods and Results The concentration of 34 aroma chemicals in 32 New Zealand Pinot Noir wines was quantified using three separate solid-phase microextraction-GC-MS methods. Relationships between these chemical data and sensory data obtained from the same wines were investigated with canonical correlation analysis. Subsequently, correlation results were validated with addition/omissions tests. Ethyl octanoate was found to increase red cherry aroma, the combination of ethyl octanoate and ethyl decanoate enhanced black cherry aroma, and 2-phenyl ethanol increased violet aroma. Benzaldehyde altered Pinot Noir aroma but its effect on specific attributes was unclear. Conclusions The influence of benzaldehyde, ethyl octanoate and 2-phenyl ethanol on the aroma of Pinot Noir wine was consistent with previous studies conducted on Merlot and Cabernet Sauvignon wines. This indicated that the contribution of these compounds is similar in a range of red wines. Ethyl decanoate appeared to act as an aroma enhancer compound when in combination with ethyl octanoate. Significance of the Study Improved knowledge of key aroma and flavour components and the factors that influence their concentration is required to allow producers to manipulate better sensory characteristics to meet the preferences of specific markets. This study provides new information on important aroma compounds in New Zealand Pinot Noir which can lead to future research on modulating factors.
IgE total en relación con el asma intrínseco

Con el objetivo de investigar la posible existencia de mecanismos IgE-dependientes en la patogenia del asma intrinseco, se realizo un estudio retrospectivo en 56 pacientes con tal enfermedad (41 mujeres, 15 hombres, edad media 51±12 anos) , mediante analisis de sus niveles sanguineos de IgE. Los resultados se compararon con los de un grupo control de 60 sujetos (30 hombres y 30 mujeres, edad media de 37±4 anos) pertenecientes a una muestra de poblacion general, escogida de forma aleatoria y randomizada. Los niveles sanguineos de IgE de nuestro grupo de asmaticos intrinsecos (media=121±171 IU/ml) fueron superiores que los del grupo control (media=45±57 IU/ml), p=0.002. El analisis comparativo por sexos tambien demostro diferencias significativas, tanto entre hombres (media asmaticos=270, media control=60, p=0.003 ) como entre mujeres (media asmaticas.= 69, media control= 34, p=0.045). Dentro del grupo de asmaticos, se encontraron niveles de IgE superiores a 150 IU/ml hasta en un 25 % de nuestros pacientes. A partir de estos datos concluimos que en la patogenia del asma intrinseco podrian existir mecanismos mediados por IgE.
Motion of Hydrogen Bond Proton in Cytosine and Transition between Its Normal and Imino States

The potential energy surface of the H13 proton in base cytosine of the DNA molecules is calculated ab initio at the Gaussian98 MP2/6-311G(d, p) level. Two potential wells are found. One corre-sponds to the normal cytosine, while the other corresponds to its imino tautomer. The bindings of the proton in these wells are stable enough against the thermo-disturbance. The motions of the proton in these wells are oscillations around the nearest nitrogen atom like the pendulum, and may move far away from the nitrogen atom to form the hydrogen bond with other bases. The estimated tunneling probability of the H13 proton from one well to another well shows that the life time of the proton staying in one of these wells is about 6×102 a. It is too long to let tautomers of cytosine be in thermodynamical equilibrium in a room temperature gas phase experiment. The biological significance of these results is discussed.
Precipitation of Large, High-Abundance Proteins from Serum with Organic Solvents

The proteins of high abundance in serum are larger than 40 KDa in mol. wt. Addition of 1 vol. of acetonitrile (ACN) leads them to precipitate. Subsequent centrifugation removes 97-98% of the large proteins. Depth filtration with a C-18 SPE cartridge is more effective than centrifugation. Addition of 2 vol. ACN removes virtually all large proteins using either method. Components smaller than 15 KDa are little affected by addition of up to 3 vol. ACN. Removal of proteins between 15-40 KDa varies with the method used. If the components of interest in a biological sample are smaller than 15 KDa, then this selective precipitation is a convenient way to remove large proteins of high abundance.
Influence of depth resolution on interdiffusion measurements in polycrystalline Cu/Pd multilayers

Interdiffusion in the Cu/Pd multilayer system was studied in the temperature range 120-250°C by means of Auger electron spectroscopy together with simultaneous argon ion sputtering. Interdiffusion coefficients have been calculated on the basis of changes of the concentration amplitude of the multilayer structure, as well as from variation of the composition at the interface of two consecutive layers of the multilayer. The depth resolution has also been determined and its influence on the interdiffusion data has been evaluated and discussed.
Evaluation of Physical and Chemical Characteristics of Male and Female Ducks Carcasses at Different Ages

2 Abstract: This study was conducted at Agricultural Research Station, College of Animal Sciences, Agriculture University of Huazhong, China, for the period of 27/3/2009 to 27/6/2009. The aim was to determine the effect of strain, sex and age at slaughtering on quality traits of meat of two breeds of ducks (Cherry Valley and Chinese local duck). A total of 120 chicks (60 from each breed) one day old were used. A sample of birds was slaughtered at 6, 8, 10 and 12 weeks of age. Muscle pH at 0.25, 6 and 24 h, meat color at 24 h of breast and leg muscles, water holding capacity and proportion of losing fluids were measured. Breeds had no significant effect on breast or legs muscle PH, however, Leg muscle showed higher (p<0.05) pH at the storing period of 0.25 and 24 h than breast. Breast muscle of local Chinese ducks showed higher (p<0.05) redness (a) and less transparency (L) in comparison with Cherry Valley ducks. Males breast muscle were more (p<0.05) yellowness (b) in comparison with that of female for both breeds. Viscous of Cherry Valley ducks were higher (p<0.05) than that of Chinese local ducks. Both breeds did not exhibit significant differences. Local Chinese ducks breast muscle males showed significantly (p<0.05) higher water holding capacity than that of Cherry Valley breed for both sexes. Muscle extensibility and muscle shearing value and drip loss percentage of Cherry Valley carcass were higher (p<0.05) than that of local Chinese ducks in preceding ages.
Phytantriol and glyceryl monooleate cubic liquid crystalline phases as sustained‐release oral drug delivery systems for poorly water soluble drugs I. Phase behaviour in physiologically‐relevant media

Objectives The potential utility of liquid crystalline lipid‐based formulations in oral drug delivery is expected to depend critically on their structure formation and stability in gastrointestinal fluids. The phase behaviour of lipid‐based liquid crystals formed by phytantriol and glyceryl monooleate, known to form a bicontinuous cubic phase in excess water, was therefore assessed in physiologically‐relevant simulated gastrointestinal media.