Miracle-dz/UniFAR-FTUs huggingface dataset:
Influences of Natural Dissolved Organic Matter on the Interaction of Aluminum with the MicroalgaChlorella: A Test of the Free-Ion Model of Trace Metal Toxicity

The free-ion model of trace metal interactions with aquatic microorganisms states that the biological response to a metal is proportional to the activity of the free-ion {Mz+} in solution. The applicability of the free-ion model, as it applied to the toxicity of aluminum to the green alga Chlorella pyrenoidosa in the presence of a soil fulvic acid (SFA), was tested in defined media (pH 5) designed to limit Al interactions to algae and SFA. Toxicity was not proportional to the activity of Al3+, an apparent failing of the free-ion model. Fulvic acid adsorbed to cell surfaces (17 mg m-2, pH 5) and increased membrane permeability (as measured with [14C]sorbitol) whereas Al decreased membrane permeability. In addition, SFA may act as a source of phosphorus to P-deficient algae. These results emphasize the importance of considering not only the metal-complexing properties of natural dissolved organic matter but also its direct metabolic and physiological influences on algae.
Irreversible Sorption of Neutral Hydrocarbons to Sediments: Experimental Observations and Model Predictions

Contaminants of environmental concern commonly reside in the sediment or solid phase. The extent and rate of desorption has heretofore been particularly unpredictable. In the present research, the adsorption and desorption of seven organic compounds with water solubilities ranging from 0.005 to 517 mg/L have been studied in natural sediments. In every case, a fraction of the adsorbate was adsorbed irreversibly (i.e., desorption was not the opposite of adsorption, yet the sorbate is not covalently bonded to the sediment). Each sediment-contaminant combination exhibited a fixed maximum irreversible adsorption, , which could be filled in one or several steps and which is related to common molecular properties and sediment organic carbon content (OC). For most compounds, (μg/g) ≈ 103.8OC. Furthermore, the OC-normalized partition constant for this irreversible compartment is es sentially constant for the compounds and sediments studied with = 105.53±0.48 mL/g. After about 1−3 days of contact time, all laborato.
Microbiological quality and shelf life of chilled cod fillets in vacuum-skin and modified atmosphere packaging.

The microbiological quality and shelf-life of fresh cod fillets (Gadus morhua) packed under modified atmospheres (CO2/N2/O2, 40:20:40) were compared to air and vacuum-skin packed fillets. Packed fillets were kept at 0 ± 1°C and chemical and microbiological analyses as well as sensory assessment were carried out after 4, 6 and 8 days. The decomposition process was evaluated through microbial and enzymatic proteolysis by means of total volatile nitrogen measurement, acetic acid values, surface pH and organoleptic tests. The microbiological quality was established by evaluating the growth of microbial species responsible for spoilage (total bacteria count. Gram-negative bacteria, H2S-producers) and identifying isolated species. Modified atmosphere packaging gave the best results and the high oxygen content did not affect the microbiological quality in the presence of 40% carbon dioxide. Vacuum-skin packed fillets gave less satisfactory results owing to poor chemical and microbiological indices, even if they we-e always better than fillets maintained in air.
The Effect of Octahedrally-Coordinated Calcium on the Ferroelectric Transition of BaTiO3

The effect of the B-site calcium ion on the ferroelectric transition of BaTiO3 ceramics was investigated by X-ray diffraction, TEM, SEM, and by measurements of dielectric properties and equilibrium electric conductivity. It was found that the c/a ratio at room temperature decreases continuously to near unity with increasing amount of Ca ion on the B site up to 5%, and that the broadened and diffused Curie peak moves to room temperature for the composition with 5% of Ca ion on the B site and 6% on the A site. A thermodynamic model has been developed to explain this effect.
Dynamics of Place-Exchange Reactions on Monolayer-Protected Gold Cluster Molecules

Monolayer-protected gold clusters (Au MPCs) are stable, easily synthesized, organic solvent-soluble, nanoscale materials. MPCs with protecting monolayers composed of alkanethiolate ligands (RS) can be functionalized (R‘S) by ligand place-exchange reactions, i.e., x(R‘SH) + (RS)mMPC → x(RSH) + (R‘S)m(RS)m-xMPC, where x is the number of ligands place-exchanged (1 to 108) and m is the original number (ca. 108) of alkanethiolate ligands per Au314 cluster. The dynamics and mechanism of this reaction were probed by determining its kinetic order and final equilibrium position relative to incoming (R‘S) and initial (RS) protecting thiolate ligands. The reactions were characterized by 1H NMR and IR spectroscopy, and the dispersity of place-exchange reaction products was preliminarily inspected by chromatography. The results of these experiments show that ligand exchange is an associative reaction and that the displaced thiolate becomes a thiol solution product. Disulfides and oxidized sulfur species are not involv.
Evaluation of Structural Properties of Cellulose Ether-Corn Starch Based Biodegradable Films

The object of this study was to investigate the physicochemical interactions between starch and cellulose ethers when they were blended to obtain biodegradable films. Fourier transform infrared spectroscopy results revealed the hydrogen bond formation between polymer chains and/or plasticizer molecules and hence good compatibility of the film constituents. X-ray diffraction (XRD) patterns indicated that cellulose ethers could be used to increase the strength and stiffness of the starch films due to their improvement on crystallinity. Simultaneous evaluation of XRD and optical microscopy results revealed that methylcellulose films had three-dimensional ordered crystalline structure and starch and carboxymethylcellulose films showed randomly distributed small crystallites and amorphous regions.
Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry

Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110%) and repeatabilities (relative standard deviaiton 7.4-11.6%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambie.
Effects of salt on the size and internal structure of PAMAM dendrimers at different pH

G4 and G5 polyamidoamine dendrimers solvated with explicit water, counterions and NaCl ions (0.15, 1 M) were simulated at two levels of protonation, which mimic their electrostatic charges at pH 5 and 7. We used the previously parametrised coarse-grained dendrimer model which had predicted the experimentally measured and theoretically calculated size and internal structure of the dendrimer at different pH values. In this study, addition of ≤ 1 M NaCl does not significantly modulate the dendrimer size, in agreement with experiments and other theoretical studies. In particular, added salt ions do not change the dense-shell and dense-core structures of dendrimers without salt, respectively, at pH 5 and 7. Besides counterions, only a few excess ions penetrate and occupy the dendrimer interior, leading to unchanged volume of the inner cavity in the dendrimer core. These results indicate that addition of ≤ 1 M NaCl does not modulate the efficiency of encapsulating hydrophobic drugs or compounds.
Measurements of wavelength-dependent transmission in excimer laser-induced plasma plumes and their interpretation

Short-pulse laser ablation in air at 0.1 MPa leads to intense evaporation of the target material. The ablated material compresses the surrounding gas and leads to the formation of a shock wave. The incident laser radiation interacts with the partially ionized material vapour and the condensed material clusters embedded therein and affects the efficiency and quality of the ablation. Methods to increase the efficiency and quality of the ablation process require knowledge of these mechanisms. Therefore, the transmissivity of a laser-induced plasma plume was investigated in the wavelength range between 440 nm and 690 nm with a spatial resolution of about . The results show a weak dependence of the extinction coefficients over the investigated wavelength range. The spatial resolution allowed us to identify the regions behind the shock wave with the highest extinction for the visible wavelength range probed. These regions correspond to areas with high free-electron densities. To understand the mechanisms that are responsible for the heating and ionization of the vapour at the start of the excimer laser pulse, a simplified stationary model was applied. The experimental results were interpreted using Mie scattering theory on condensed material clusters, inverse bremsstrahlung absorption and absorption due to photoionization of excited material vapour atoms. The modelling shows that extinction of the laser light in a plasma with the assumed thermodynamic parameters is dominated by Mie absorption on condensed material clusters for wavelengths less than about 430 nm and is dominated by photoionization absorption and inverse bremsstrahlung above 430 nm.
Characterization and Properties of a Novel Energetic–Energetic Cocrystal Explosive Composed of HNIW and BTF

A novel 1:1 cocrystal explosive of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (HNIW) and benzotrifuroxan (BTF) has been prepared. The structure of this cocrystal was characterized by single crystal X-ray diffraction (SXRD). Properties of the cocrystal including thermal decomposition and detonation performance were studied. Further, the cocrystal explosive is predicted to display superior detonation power compared to BTF.
Investigation on high resolution matching of HLA-Cw and effect on unrelated blood stem cell transplantation in acute leukemia

目的 研究HLA-Cw基因的高分辨分型在急性白血病非亲缘性造血干细胞移植中的意义. 方法 对中国造血干细胞捐献者资料库中提供的76例白血病患者(AIL 21例、CML 32例、AML23例),采用序列特异性引物聚合酶链反应(PCR-SSP)联合序列特异性寡核苷酸探针(PCR-SSOP)方法进行HLA高分辨分型. 结果 ALL患者中HLA-Cw高分辨分型的常见位点:Cw*0102、Cw*0304、Cw*0302、Cw*0702、Cw*0801;表型频率分别为0. 57、0.33、0.19、0.14、0.14. ALL患者与志愿者相比其Cw*0102、Cw*0304的表型频率差异有统计学意义,P＜0.05;而Cw*0302、Cw*0702、Cw*0801的表型频率无统计学意义,P＞0.05. 7例ALL患者与供者HLA的10个位点全相合,占33. 3%,HLA-Cw全相合最常见的基因亚位点为Cw*0102(4/7),次之为Cw*0702(2/7). CML患者中HLA-Cw高分辨分型的常见位点:Cw*0702、Cw*0102、Cw*0304、Cw*0801、Cw*0401、Cw*0303;表型频率分别为0. 41、0.34、0.22、O.19、O.16、0.13,这些基因位点与志愿者相比其表型频率均无统计学意义,P＞0.05. 8例患者与供者的10个位点全相合,占25. 0%,HLA-Cw全相合最常见的基因亚位点为Cw*0702(5/8),次之为Cw*0304(3/8). 在23例AML患者中4例与供者HLA的10个位点全相合患者均为M2型. 结论在ALL患者中其Cw*0102和Cw*0304基因表型频率明显增高,有利于ALL患者寻找到相合位点的供体. HLA-Cw基因是造成移植物抗宿主病(GVHD)发生和影响移植效果的重要因素,在非亲缘性和单倍体移植中必须进行HLA-Cw基因的高分辨检测。
Reducing Soluble Phosphorus in Dairy Effluents through Application of Mine Drainage Residuals

Three different dairy manure wastewater effluent samples were amended with mine drainage residuals (MDR) to evaluate the suitability of MDR for sequestration of phosphorus (P). Geochemical modeling of the manure wastewater compositions indicated that partially soluble P-bearing minerals including hydroxyapatite, octacalcium phosphate, and vivianite were all oversaturated in each of the manure wastewater samples. Initial MDR amendment test results indicated that these partially soluble P minerals suspended in the wastewater replenished P in the water phase as it was sorbed by the MDR samples. Further investigations revealed that the MDR samples were effective in decreasing soluble P when the amended manure was tested using the water-extractable P procedure. Under these conditions, up to 90 percent of the soluble P in the manure was converted to a sorbed, water-insoluble state. Water contamination and large-scale validation tests of the process were also conducted.
Raman Microscopy Study of Cafarsite

Normal, polarized, and cross-polarized Raman spectra of a single crystal of cafarsite, Ca8(Ti, Fe, Mn)6–7(AsO3)12·4H2O, from Binntal (Switzerland) are reported. Comparison with known metal oxides was used to achieve assignments of the observed bands. Differences between the polarized and cross-polarized spectra helped to identify the symmetric and asymmetric modes. The bands at 258, 319, 721, and 763 cm−1 are assigned to the ν4(E), ν2(A1), ν3(E), and ν1 arsenite modes after comparison to AsF3. The bands at 204, 437, and 620 cm−1 are assigned to the asymmetric Fe(2)–O modes, while the bands at 232, 288, 464, and 506 cm−1 are the symmetric ones. The two bands at 837 and 880 cm−1 are ascribed to the symmetric and asymmetric Fe(1)–O modes, respectively. The Ti–O modes are assigned to the bands at 204 and 648 cm−1 (asymmetric) and to 319, 390, and 802 cm−1 (symmetric). Bands at 288 and 587 cm−1 represent the symmetric and asymmetric modes, respectively, of the Ca–O bonds. On the basis of the Raman spectra, no distinction can be made between the two crystallographic Ca sites. Also no difference can be made between the two crystallographic Mn sites in cafarsite. Mn–O bands are observed at 335, 437 (asymmetric), 464, 506, and 601 cm−1 (symmetric).
UNDERSTANDING POLYMORPHIC PHASE TRANSFORMATION BEHAVIOR DURING GROWTH OF NANOCRYSTALLINE AGGREGATES: INSIGHTS FROM TIO2

To understand the impact of particle size on phase stability and phase transformation during growth of nanocrystalline aggregates we conducted experiments using titania (TiO2) samples consisting of nanocrystalline anatase (46.7 wt %, 5.1 nm) and brookite (53.3 wt %, 8.1 nm). Reactions were studied isochronally at reaction times of 2 h in the temperature range 598−1023 K and isothermally at 723, 853, and 973 K by X-ray diffraction (XRD). A numerical deconvolution method was developed to separate overlapping XRD peaks, and an analytical method for determining phase contents of anatase, brookite, and rutile from XRD data was established. Results show that, in contrast to previous studies, anatase in our samples transforms to brookite and/or rutile before brookite transforms to rutile. Thermodynamic and kinetic analyses further support this conclusion. For general titania samples, the transformation sequence among anatase and brookite depends on the initial particle sizes of anatase and brookite, since partic.
STATISTICAL DESIGN OF EXPERIMENTS FOR OPTIMIZATION OF BATCH ADSORPTION CONDITIONS FOR REMOVAL OF REACTIVE RED 194 TEXTILE DYE FROM AQUEOUS EFFLUENTS

Factorial and central composite design experiments were performed to maximize the percentage removal of hydrolyzed reactive red 194 (HRR) from a simulated textile effluent by using Brazilian pine fruit wastes. Solution pH, initial dye concentration, contact time, and adsorbent mass levels were systematically varied for both untreated and acid-treated wastes. Biosorbent dosage of 9.0 g L−1, pH of 2.0, and at least 7–8 h contact time resulted in 98% dye removal for the acid-treated wastes and 88% for the untreated wastes. Adsorption isotherms were determined for both materials at the optimized conditions, and the equilibrium data was better fitted to the Sips isotherm model.
Kernel, Milling and Baking Properties of Spring-Type Spelt and Einkorn Wheats

Abstract One accession of einkorn (Triticum monococcum) and five spring spelt accessions (T. aestivumsubsp.spelta) were selected and grown at five locations in 1992 and 1993 for evaluation of kernel, milling and baking properties. The high protein einkorn accession (TM23) was similar to common hard red spring (HRS) wheat in kernel size but the soft grain gave low flour yields. Einkorn flour had low sedimentation values, weak Mixograph curves and low loaf volumes with no bromate response. The two large-seeded spelt accessions, SK0021 and PGR8801, were comparable to common HRS wheat in kernel hardness, flour yield and protein content, but were very inferior in falling number, sedimentation value, Mixograph characteristics, loaf volume, crumb texture and colour. The spelt accessions, SK0505, SK0263 and RL5407, also exhibited large kernels but were soft in texture and gave high flour yields, intermediate sedimentation values, weak Mixograph characteristics, but satisfactory loaf volumes and bromate responses relative to HRS wheat. With addition of only 15 ppm bromate, the latter spelt accessions gave breads with loaf volumes similar to those of HRS wheat breads. In sensory tests, these spelt breads were intermediate in preference as compared to HRS wheat breads.
Influence of rhenium on the structural and optical properties of molybdenum disulfide

We report on the extensive structural and optical studies of Re-doped molybdenum disulfide (MoS2) grown by the chemical vapor transport (CVT) method using Br2 as a transport agent. To evaluate the influence of Re on the structural properties of crystals, we have conducted X-ray diffraction (XRD) and transmission electron microscopy (TEM) experiments. For optical characterization, we carried out piezoreflectance (PzR) and electrolyte electroreflectance (EER) measurements. The Re dopant clearly caused a structural change in MoS2 from a two-layer hexagonal (2H) structure to a three-layer rhombohedral (3R) structure, which has been clearly verified and identified herein.
Moisture Sorption Isotherms and Storage Stability of Spray-Dried Yogurt Powder

Moisture adsorption isotherms of spray-dried yogurt powder were determined at 10, 25, and 40°C using the standard, static-gravimetric method. Experimental data were fitted to five mathematical models (Guggenheim-Anderson-de Boer [GAB], Brunauer-Emmett-Teller [BET], Halsey, modified Oswin, and modified Henderson). A nonlinear regression analysis method was used to evaluate the constants of the sorption equations. The shelf-life of yogurt powder was predicted based on the relationship between permeability coefficient of the packaging material and moisture adsorbed by the powder determined by the GAB equation. Furthermore, the storage stability of spray-dried yogurt powder in terms of quality parameters including moisture content, water activity, color change, and thiobarbituric acid (TBA) value was studied in aluminum laminated polyethylene (ALPE) pouches under storage conditions of 25°C and 50% relative humidity (RH).
Analytical Investigation of Aerosol Jet Printing

Aerosol jet printing is a technology for contactless printing of narrow line shaped features down to a width of about 20 μm. Until now, process optimization was only done empirically because there was no manageable model to describe it. The process was only modeled numerically regarding Stokes and Saffman force on the aerosol particles. In this article, we introduce a simple analytical model to predict the printed line width. Experimentally, we show that the model is a valid approach for a wide range of parameters. A close look on the quality of the printed lines reveals that depending on the process parameters the droplets are distributed more or less inhomogeneously within the printed lines. We attribute this to the Saffman force, which should be taken into account for a more accurate description, especially when only little sheath gas is applied. However, the printed line width generally agrees with our model, making our model a valuable tool for process control. Copyright 2014 American Association for Aerosol Research
Effects of gut chemistry in marine bivalves on the assimilation of metals from ingested sediment particles

Bioavailability and uptake of trace metals by benthic animals are often assumed to be limited by authigenic sulfide minerals because of their low metal solubilities and reactivities under sedimentary conditions. However, digestive processes and gut conditions such as Eh, pH, and enzyme or surfactant activity, can affect the release of ingested metals in the gut and control uptake. In a series of laboratory experiments with the deposit-feeding clam, Macoma balthica and the suspension-feeding mussel, Mytilus edulis, we assessed assimilation efficiencies (AE) of radioisotopes of Ag, Cd and Co associated with acid-volatile sulfide (AVS), iron oxide (re-oxidized AVS), and reduced and oxidized natural sediment. To evaluate controls on AE, we measured the gut passage time (GPT) of ingested particles, gut Eh, pH, and extraction of Ag, Cd, and Co from particles into gut juice. In general, the overall trends of AEs and metal extraction were Co > Cd ≥ Ag. AEs, metal extraction, and GPTs were higher in M. balthica than in M. edulis in most cases. M. balthica tended overall to take up metals more readily from oxidized than reduced natural sediment, whereas M. edulis did the opposite for Co and Cd. AEs of metals in reoxidized AVS (Fe-oxides) were generally similar to oxic sediment (Ag being the exception for M. edulis). In M. balthica, there was no significant difference in AEs from AVS and Fe-oxide particles for Cd (14-20%) or Co (27-35%), but AEs for Ag from AVS particles were greater in large clams (28%) than small clams (15%). There were generally poor correlations between AEs of metals and metal release in gut juice. Low pH and moderate reducing conditions facilitated dissolution of AVS- and iron oxide-bound metal in the guts of both animals. The GPTs (64 h) for Co associated with AVS particles in M. edulis were an order of magnitude greater than for Ag and Cd, or for Co associated with other particle types. Overall, no single mechanism appears to control metal AE in marine bivalves and in vitro studies of metal dissolution in gut juice do not completely mimic the complex digestive processes operating in vivo, and thus cannot fully explain metal assimilation in these animals.
Thermodynamic and optical properties of sea salt aerosols

Sea salt particles are constantly produced from ocean surfaces by wave-wind interactions and removed by deposition and precipitation scavenging. These particles constitute the background aerosol for light scattering in the marine boundary layer. In this work, the thermodynamic and optical properties of sea salt aerosol particles generated from seawater samples are measured at 25°C as a function of relative humidity, using a single-particle levitation technique. Water activities, densities, and refractive indices of aqueous solution droplets containing a single salt NaCl, Na2SO4, MgCl2, or MgSO4 are also reported as a function of concentration. The light-scattering properties of the sea salt aerosol are modeled by the external mixture of these four salt systems selected to approximate the sea salt composition. Good agreements are obtained. It follows that in either visibility reduction or radiative forcing calculations, both freshly produced and aged sea salt aerosols may be modeled by external mixtures of the appropriate inorganic salts, whose solution properties are now available in the literature.
Radiation-Induced Reaction of Sulfur and Water

Elemental sulfur undergoes oxidation to sulfate when heterogeneous mixtures of sulfur and water absorb ionizing radiation in deaerated systems. No sulfur-containing product other than sulfuric acid is formed in measurable yield. The reaction is initiated by OH radicals from water, and these are evidently involved in subsequent steps as well. A possible mechanism is suggested for the reaction.