Miracle-dz/UniFAR-FTUs huggingface dataset:
Sorption Isotherm, Glass Transitions and State Diagram for Freeze-dried Plum Skin and Pulp

Differential scanning calorimetry (DSC) was used to determine phase transitions of freeze-dried plums. Samples at low and intermediate moisture contents, were conditioned by adsorption at various water activities (0.11≤aw≤0.90) at 25°C, whereas in the high moisture content region (aw>0.90) samples were obtained by direct water addition, with the resulting sorption isotherm being well described by the Guggenheim-Anderson-deBoer (GAB) model. Freeze-dried samples of separated plum skin and pulp were also analysed. At aw≤0.75, two glass transitions were visible, with the glass transition temperature (Tg) decreasing with increasing aw due to the water plasticising effect. The first Tg was attributed to the matrix formed by sugars and water. The second one, less visible and less plasticised by water, was probably due to macromolecules of the fruit pulp. The Gordon-Taylor model represented satisfactorily the matrix glass transition curve for aw≤0.90. In the higher moisture content range Tg remained practically constant around Tg′ (−57.5°C). Analysis of the glass transition curve and the sorption isotherm indicated that stability at a temperature of 25°C, would be attained by freeze dried plum at a water activity of 0.04, corresponding to a moisture content of 12.9% (dry basis).
Dynamics of the Photoinduced Ionic-to-Neutral Phase Transition in Tetrathiafulvalene- p -chloranil Studied by Femtosecond Time-resolved Reflection Spectroscopy

Changes in reflection spectra were probed to study the dynamics of photoinduced transformation from ionic to neutral phases in tetrathiafulvalene- p -chloranil crystals. The results have revealed the formation of the precursor of metastable N -phase domains, dynamical lattice relaxation of and proliferation during phase transformation.
Delivery of hypoxia-inducible VEGF gene to rat islets using polyethylenimine

Islet transplantation is a promising strategy for treatment of diabetes. However, islets are exposed to hypoxia in the process of isolation and transplantation and prone to apoptosis. Vascular endothelial growth factor (VEGF) gene transfer is one of the promising strategies to address this problem. However, VEGF expression in the cells under normoxia is undesirable since it may induce pathological angiogenesis. Therefore, VEGF expression should be regulated to avoid this problem. In this study, hypoxia-inducible VEGF gene was transferred to islets using a non-viral carrier. Rat islets were transfected with high molecular weight PEI (25 kDa, PEI25K), low molecular weight PEI (2 kDa, PEI2K), and polyamidoamine dendrimer (PAMAM). PEI25K had higher transfection efficiency to rat islets than PAMAM or PEI2K. The hypoxia-inducible gene expression vector, pRTP801-Luc or pRTP801-VEGF was transferred to rat islets using PEI25K. Transfection assay with pRTP801-Luc showed that luciferase expression was induced in rat islets under hypoxia. In addition, transfer of pRTP801-VEGF showed that VEGF gene expression was higher under hypoxia than normoxia in rat islets. In conclusion, delivery of pRTP801-VEGF using PEI25K induces VEGF level specifically under hypoxia and may be useful for the development of anti-apoptotic strategies for islet transplantation.
Phase diagram and domain structure of the Rb2 x Tl2(1− x )Cd2(SO4)3 solid solutions

From measurements of temperature dependences of the birefringence and from observations of the domain structure the x, T–phase diagram for the Rb2 x Tl2(1− x )Cd2(SO4)3 solid solutions have been obtained. Ferroelastic domain structure and movement of phase boundaries have been studied in the course of phase transitions in Rb2 x Tl2(1− x )Cd2(SO4)3 crystals. Possible reasons for the appearance of mechanically non-compatible (‘forbidden’) ferroelastic domain walls are given.
Comparison of the acute toxicity of tributyltin and copper to veliger larvae of Nassarius reticulatus (L.)

The ban on the use of tributyltin (TBT) is promoting an increasing use of copper as an active biocide in antifouling paints, with consequent rising levels of this metal in the environment. This study assesses the acute toxicity of copper and tributyltin to the larvae of the mollusc gastropod Nassarius reticulatus. Recently hatched veligers were exposed to nominal TBT-Sn concentrations of 0.9, 1.4, 1.9, 2.8, 3.8, 4.7 and 5.6 µg l−1 and nominal copper concentrations of 9.4, 23.4, 46.9, 70.3, 93.8, 117.2, 140.6 and 164.1 µg l−1 for up to 96 h, under static conditions (17 ± 1 °C and 33 ± 1 psu). The percentage of larval mortality was determined for each organometal/metal concentration and exposure time (1, 24, 48, 72 and 96 h). Both TBT and copper had a highly significant effect on larvae survival (p < 0.001) for all times of exposure, except for the first hour in the particular case of TBT. The lowest observed effect concentration for TBT-Sn decreased over time from 3.8 µg l−1 at 24 h to 1.9 µg l−1 at 96 h, whereas for copper it remained constant over time (46.9 µg l−1). The median lethal concentration (LC50) for TBT-Sn decreased from 4.87 µg l−1 at 24 h to 1.78 µg l−1 at 96 h, and the LC50 for copper decreased from 83.08 µg l−1 at 24 h to 58.84 µg l−1 at 96 h. TBT is far more toxic to N. reticulatus larvae than copper. However, owing to the higher copper environmental concentrations, the risk factors of the two biocides may approach each other. This stresses the need to find adequate substitutes for organotin biocides in future antifouling paints. Copyright © 2005 John Wiley & Sons, Ltd.
Spatial and Temporal Variability of Herbicides in a Claypan Soil Watershed

The spatial and temporal variability of herbicides during the growing season were studied on a 35-ha watershed located in the cIaypan soil region of north-central Missouri. Soil samples were collected from the 0- to 5-em soil depth in 1993, and 0- to 5-, 5- to 10-, and 10totS-em soil depths in 1995 and analyzed for atrazine (2-chloro-4ethylamino-6-isopropylamino-s-triazine) and alachlor (2-chloro-N-(2, 6-diethl-N-(methoxymethyl) acetanilide) concentrations. The effects of rainfall, topography, soil pH, cation exchange capacity (CEC), and organic matter (OM) content on the spatial distribution of herbicides were evaluated. There was no spatial dependency between samples taken immediately after herbicide application; however, spatial dependency was observed in the following sampling periods. During the year, <2.5% of atrazine and 2.0% of alachlor applied to the soil was lost in runoff, and the movement of herbicides below the layer of application was also very low throughout the sampling period. Atrazine and alachlor concentrations in the soil decreased rapidly during the growing season. Concentrations measured 4 and 8 wk after application were <20 and 5% for atrazine, and <10 and 3% for alachlor, respectively, of those measured immediately after application. The study showed that the spatial and temporal variability of herbicide concentration was a function of the interaction between soil pH and the sorptive capacity of the soil (CEC and OM content). These findings are useful for site-specific crop management to increase the efficiency of herbicide application and also to reduce the loss of excess herbicides to surface runoff.
Halogen bond symmetry: the N–X–N bond

Halogen bonding is the attractive interaction of an electrophilic region of a halogen with a nucleophile. Its geometry, energy, and dominantly electrostatic nature resemble that of the hydrogen bond. Halogen bond strength critically depends on the electron deficiency of the halogen. Accordingly, halonium ions that bear a formal positive charge are the strongest halogen bond donors known so far. Halonium ions, similar to H+, are capable of simultaneously interacting with two Lewis bases. The structure and properties of the resulting three-center halogen bonds are reviewed herein, based on their spectroscopic and computational data, with the emphasis being placed on one representative example, the [N–X−N]+ interaction. The iodine and bromine-centered systems form symmetric three-center-four-electron halogen bonds that have comparable orbital and electrostatic contributions and a large extent of charge delocalization. Their formation yields significant stabilization. The [N–Cl–N]+ bond is computationally predicted to resemble the symmetry of the three-center bond of the heavier halogens, whereas the fluorine-centered halogen bond is predicted to be asymmetric, and thus behave more similar to the analogous, asymmetric three-center [N−H−N]+ hydrogen bond. Experimental confirmation of the latter predictions remains to be accomplished, along with studies of the possible influence of the disorder of the local environment on halogen bond symmetry, and investigations in the gaseous phase. The electronic structure and the geometry of three-center halogen bonds are of fundamental interest, and also of practical importance, for example due to the occurrence of three-centered halogen bonds in synthetic reagents. Copyright © 2014 John Wiley & Sons, Ltd.
Chemical associations of Zn, Cd, Pb and Cu in soils and sediments determined by the sequential extraction technique

Abstract A sequential extraction procedure was used to investigate the chemical associations of Zn, Cd, Pb and Cu in soils and sediments. It allowed the determination of these metals in various geochemical fractions of the samples. In the majority of cases, the four metals examined were associated with all the chemical fractions studied, although most of them were concentrated in potentially available fractions.
Hydroxylation of Chlorotoluenes and Cresols: A Pulse Radiolysis, Laser Flash Photolysis, and Product Analysis Study

10 10 M -1 s -1 ), whereas O ¥- was found to be less reactive (k 2.4 10 9 M -1 s -1 ). The second-order rate constants for SO4 ¥- reaction with cresols are in the range (3-6) 10 9 M -1 s -1 . The transient absorption spectra measured in OH reaction exhibited peaks in the range 295-325 nm with a red shift for the meta isomer. The absorption spectra obtained for O ¥- reaction with 2-cresol has a peak at 360 nm, which is different from those measured with the m and p isomers (I max ) 310 and 380 nm). The absorption spectra of the transient species in SO4 ¥- reaction obtained by pulse radiolysis and flash photolysis techniques are similar, with absorption maxima centered around 290 and 390 nm in all three isomers. The intermediates formed in ¥ OH, O ¥- , and SO4 ¥- reactions are assigned to OH adducts, substituted benzyl radicals, and radical cations, respectively. The rates for oxygen addition to OH adducts of 2-, 3-, and 4-chlorotoluenes and cresols are high, with kf values lying in the range (1-2.7) 10 8 M -1 s -1 . The relatively higher stability constants of peroxyl radicals formed with cresols (K ) kf/kr ) (2-5) 10 4 M -1 ) than with chlorotoluenes suggest that the product-forming reaction competes effectively with the reverse reaction in cresols. Dihydroxytoluenes with OH groups ortho to each other were only formed in oxygenated solutions of cresols, and the mechanism involves the addition of oxygen to 1,3-type OH adducts at the carbon carrying the hydroxyl function.
Controlled and selective placement of boron subphthalocyanines on either chain end of polymers synthesized by nitroxide mediated polymerization

In previous studies, we synthesized the first organic light emitting diode (OLED) using boron subphthalocyanines (BsubPcs) based polymers. When designing new polymer materials for organic electronic applications such as OLEDs or organic photovoltaic (OPV) devices it is important to consider not only the contribution of each monomer but also the polymer chain ends. In this paper we establish a post-polymerization strategy to couple BsubPcs onto either the α- or the ω-chain end using chemically selective BsubPc derivatives. We outline how the chain ends of two representative polymers, poly(styrene) (PS) and poly( n -butylacrylate) (BA), synthesized by nitroxide mediated polymerization (NMP), using BlocBuilder-MA as the initiating species, can be chemically modified by the incorporation of BsubPc chromophores. The addition of the BsubPc chromophore was confirmed through the use of a photodiode array detector (PDA) connected in-line with a gel permeation chromatography (GPC) setup. These findings represent the first reported method for the controlled and selective placement of a BsubPc chromophores on either end of a polymer produced by NMP. This strategy will therefore be utilized to make next generation BsubPc polymers for OLEDs and OPV devices. The extremely high molar extinction coefficient of BsubPc also make these polymers ideally suited for dye-labelling of polymers.
Temporal and spatial distributions of dust and its deposition to the China Sea

Atmospheric concentrations of aluminium, an indicator of dust substances, have been determined in a set of high-volume aerosol particle samples collected at different locations over continental China and over the China Sea. High concentrations of dust were observed in northern continental China, and at certain locations such as Beijing dust may include an anthropogenic fraction. The mass particle-size distributions of dust varied depending on its distance from source regions, with the mass median diameter for Al of ˜1.6-5.9 µm at Beijing in northern China and ˜ 1.9 µm over off-shore areas of the East China Sea. Model-predicted mean dry deposition velocities of dust particles are from 1.4 to 4.8 cm s −1 over northern continental China and from 1.4 to 2.1 cm s −1 over the China Sea. Atmospheric deposition models have been applied to estimate the atmospheric fluxes and deposition of dust at different locations. The estimated atmospheric flux of dust at X''an of the Loess Plateau is 25 (4.9 to 44) g m −2 mo −1 which is the highest among the regions we studied. The estimated present-day dust flux is comparable to the late quaternary records of eolian dust accumulation at this site. The total atmospheric deposition of dust to the China Sea is 67 Tg yr −1 , accounting for 14% of the total atmospheric deposition of dust to the entire North Pacific. With such a high deposition rate, Asian dust may play an important role in biogeochemical cycles of trace substances in the Asia/North Pacific region. DOI: 10.1034/j.1600-0889.49. issue2.5. x
Effect of feeding systems on aromatic characteristics of buffalo mozzarella cheese

Abstract Aim of this study was to evaluated the effect of feeding systems (hay vs ray-grass silage) on volatile compounds profiles of mozzarella cheese. Three mozzarella cheese making trials for each experimental group were conducted at our dairy technology laboratory. Mozzarella cheese was manufactured from whole raw water buffalo milk with the addition of natural starter. Volatile compounds were extracted by “purge and trap” system coupled to a gas chromatograph and detected operating with a mass-selective detector (Ciccioli et al., 2004) A total of 84 compounds of the following chemical families were detected: hydrocarbons, fatty acids, esters, alcohols, aldehydes, ketones and terpenes. The data overall indicated difference between the aromatic profiles of mozzarella cheese as consequence of feeding systems. Thus, differences in mozzarella cheese flavour are primarily caused by concentration differences of a common set of flavour compounds, rather than by the occurrence of compounds uniquely associated with a particular feed.
Structure and oligomers distribution of commercial Tara (Caesalpina spinosa) hydrolysable tannin.

Solvent extracted commercial Tara tannin extract have been examined by Matrix Assisted Laser Desorption/Ionisation Time-of-Flight (MALDI-TOF) mass spectrometry and by High Pressure Liquid Chromatography (HPLC). The Tara extract has been found to be composed of a series of oligomers of polygallic acid attached by an ester link to one quinic acid. They constitute the oligomers in higher proportion in the extract. Other polygallic chains linked to one only or two repeating units such as caffeic acid and methylated quinic, methylated gallic and methylated caffeic acids are also present. Negative ion mode MALDI-TOF showed that some carbohydrate residues appear to still be present, linked to the polyphenolic material of the extract but their proportion is very low as would be expected of a solvent extracted tannin.
Effect of Bi-Modal Aerosol Mass Loading on the Pressure Drop for Gas Cleaning Industrial Filters

The typical size distribution of emission particulates is bi-modal in shape with particles in the fine mode (< 2.0 w m) and the coarse mode. An experimental study of pressure drop across industrial gas cleaning filters has been conducted using a particle mixture of fine alumina and coarse Arizona dusts with a rotating aerosol disperser to generate the bi-modal test aerosol. Pressure drop increased linearly with increasing mass loading. The pressure drop was found to be strongly dependent upon the mass ratio of fine to coarse particles. The measured specific resistances of HEPA filters at a given face velocity of 5 cm/s were 1.18 2 10 6 , 5.89 2 10 5 , 4.67 2 10 5 , 2.65 2 10 5 , and 1.18 2 10 5 s -1 for the mass ratio of fine to coarse particles of fine only, 50%:50%, 25%:75%, 10%:90%, and coarse particles only, respectively. The pressure drop across the loaded filter increased with increasing face velocity. The larger the mass ratio of fine to coarse particles and the higher the face velocity are, the faster pressure drop rises. The fine particles and the greater inertia of the particle moving fast would cause a denser cake formation on the filter surface, resulting in a greater specific resistance to the gas flow.
Cyano‐Functionalized Triarylamines on Au(111): Competing Intermolecular versus Molecule/Substrate Interactions

The self‐assembly of cyano‐substituted triarylamine derivatives on Au(111) is studied with scanning tunneling microscopy and density functional theory calculations. Two different phases, each stabilized by at least two different cyano bonding motifs are observed. In the first phase, each molecule is involved in dipolar coupling and hydrogen bonding, while in the second phase, dipolar coupling, hydrogen bonding and metal‐ligand interactions are present. Interestingly, the metal–ligand bond is already observed for deposition of the molecules with the sample kept at room temperature leaving the herringbone reconstruction unaffected. It is proposed that for establishing this bond, the Au atoms are slightly displaced out of the surface to bind to the cyano ligands. Despite the intact herringbone reconstruction, the Au substrate is found to considerably interact with the cyano ligands affecting the conformation and adsorption geometry, as well as leading to correlation effects on the molecular orientation.
Alkoxide Precursor Synthesis and Characterization of Phases in the Barium-Titanium Oxide System

Barium titanate precursors with Ba/Ti ratios ranging from 2:1 to 1:9 were prepared by controlled hydrolysis of mixed barium and titanium species in an alcohol medium. Details of the synthesis and characterization of the resultant products are given. Amorphous powders precipitated by hydrolysis from ethanol solutions of barium and titanium alkoxides crystallize to single-or two-phase 1:2 and 1:5 compounds at ∼700°C. These compounds transform at higher temperatures to other known crystalline phases, the 1:5 phase being maintained metastably to ∼1100°C.
THE EFFECT OF MICROORGANISMS DETERIORATING QUALITY IN STORING SUNFLOWER SEED

In the microflora of sunflower seeds stored in domestic stores the, Alternaria species dominate, while those of Penicillium, Trichoderma, Stemphylium and Absidia spp. are present in lower numbers. During model tests (cca 20% seed moisture content, 25 °C, 4 weeks storage) the Alternaria species were almost completely eliminated and on the seeds mainly Aspergillus species, characteristic of stores, propagated. The moulds significantly deteriorated the quality of the seed and that of the produced oil and meal (reproductive ability, germinating power, oil content, lipoxygenase enzyme activity, acid value, peroxide value, fatty acid composition, UV absorbance, colour, sensorial properties, as well as the protein content, amino acid composition, colour and the smell of the meal), but no aflatoxin production occurred. The findings offer a comprehensive picture on the multiple destructive effects of incorrect storage.
Synthesis, crystal structures and properties of copper(II) complexes of Schiff base derivatives containing imidazole and β-alanine groups

Four copper(II) complexes with Schiff base ligands N-[(5-methylimidazol-4-yl)methylene]-β-alanine (HL1) and N-[(1-methylimidazol-2-yl)methylene]-β-alanine (HL2) and their reduced forms N-[(5-methylimidazol-4-yl)methyl]-β-alanine (HL3) and N,N-bis[(5-methylimidazol-4-yl)methyl]-β-alanine (HL4) have been synthesized. The crystal structures of [CuL1(H2O)(ClO4)] 1, [CuL2(H2O)(ClO4)] 2, [CuL3(Py)(ClO4)] 3 and [Cu2(L4)2][ClO4]2·2H2O 4 have been determined. Complexes 1 and 2 are structurally very similar, the copper(II) atom being tridentately chelated by the Schiff base using one carboxy oxygen atom and two nitrogen atoms at the equatorial positions, with the fourth equatorial position being occupied by another carboxy oxygen atom from an adjacent Schiff base; one aqua ligand and one perchlorate oxygen atom ligate at the axial positions, resulting in an elongated octahedral geometry. Each carboxy group in 1 and 2 acts in the syn-anti mode and bridges two adjacent copper(II) atoms via two equatorial positions, resulting in one-dimensional helical (Cu–O–C–O–Cu)n chains. In 3 the copper(II) atom is ligated by two nitrogen atoms, one carboxy oxygen atom from an L3 ligand and another nitrogen atom from pyridine at the equatorial position; the axial positions are occupied by one perchlorato oxygen atom and one carboxy oxygen atom from another L3 ligand, tridentately chelating an adjacent copper(II) atom, resulting in an elongated octahedral geometry. Complex 4 contains a dimeric cation with two very similar square-pyramidally co-ordinated copper(II) atoms. Each L4 ligand chelates a copper(II) atom in a tetradentate mode with the three nitrogen atoms occupying the equatorial positions and the carboxy oxygen atom the apical position. The fourth equatorial position is taken by a carboxy oxygen atom from another L4 ligand chelating another copper(II) atom, resulting in a bis(carboxylato-O)-bridged dimeric structure. The electronic and EPR spectra and redox properties of 1–4 are also discussed.
Fluorinated Polymer Yields High Organic Solar Cell Performance for a Wide Range of Morphologies

Device performance is recognized to be generally sensitive to morphology in bulk heterojunction solar cells. Through the use of quantitative morphological measurements, it is demonstrated that devices based on benzodithiophene and fluorinated benzotriazole moieties constitute an exception to this design rule and exhibit a range of morphologies that yield similar high performance. In particular, the fill factor (FF) remains above 65% even with factor of two changes in domain size and factor of two changes in relative domain purity. Devices with active layer thicknesses of 250 nm are employed, which are capable of increasing optical absorption to produce high photocurrent. The general insensitivity to both morphology and thickness is likely related to the measured low equilibrium miscibility of fullerene in the polymer of 3‐4%. The materials and processes investigated therefore provide insights into functional material design that yield increased processing latitude and may be more amenable to roll‐to‐roll processing.