Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of Molecular Mass of B-site Ions on Electromechanical Coupling Factors of Lead-Based Perovskite Piezoelectric Materials

The effects of the molecular mass of B-site ions of Pb(B′B′′)O3–PbTiO3 (B′=Mg, Zn, Ni, Sc, In and Yb; B′′=Nb and Ta) and Pb(B, Ti)O3 (B=Zr, Hf and Sn) piezoelectric materials on the electromechanical coupling factors were investigated. The relationship between the electromechanical coupling factor kp near a morphotropic phase boundary (MPB) and the molecular mass of B-site ions is systematically discussed. The reason why kp of Pb(Zr, Ti)O3 (PZT) is larger than that of Pb(Hf, Ti)O3 (PHT) or Pb(Sn, Ti)O3 (PST) is explained in terms of the molecular mass difference between A-site and B-site ions of Pb(B, Ti)O3. It may be concluded that a combination of the B-site ions which have a lower molecular mass in MPB composition, play an important role in realizing large electromechanical coupling factors in lead-based perovskites. From this viewpoint, MPB compositions of Pb[(Sc1/2Nb1/2)0.58Ti0. 42]O3 (PSNT 58/42), which has the largest molecular mass difference between A-site and B-site (Amass-Bmass=147.1) ions may be the best combinations of all Pb(B′B′′)O3–PbTiO3 and Pb(B, Ti)O3 systems so far reported. However, if Pb[(Al1/2Nb1/2)1-xTix]O3 and Pb[(Ga1/2Nb1/2)1-xTix]O3 systems can be synthesized into pure perovskite structures near the MPB, a better piezoelectric performance than PZT 53/47 or PSNT 58/42 is expected.
New Atomization Nozzle for Spray Drying

A new atomization nozzle based on ink jet technology is introduced for spray drying. Application areas are the food and dairy industry, in the first instance, because in these industries the quality demands on the final powders are high with respect to heat load, powder shape, and size distribution. The ink jet nozzles can atomize fluids with a higher viscosity than conventional spray-drying nozzles, leading to energy savings. The produced monodisperse droplets undergo less shear force in the nozzle and all droplets experience the same heat load during drying. The monodisperse droplets lead to monodisperse powder particles, a completely different product compared to conventional atomization nozzles that deliver particles with a wide spread in size and form. The ink jet technology, the state of the development, and the integration in existing spray dryers are elucidated in this article. Advantages with respect to energy savings, emission reduction, and increased possibilities for energy recovery are discussed. Attention will be given to the quality aspects of the resulting powders.
Use of the upflow sludge blanket (USB) reactor concept for biological wastewater treatment, especially for anaerobic treatment

In recent years considerable effort has been made in the Netherlands toward the development of a more sophisticated anaerobic treatment process, suitable for treating low a strength wastes and for applications at liquid detention times of 3–4 hr. The efforts have resulted in new type of upflow anaerobic sludge blanket (UASB) process, which in recent 6 m3 pilot‐plant experiments has shown to be capable of handling organic space loads of 15–40 kg chemical oxygen demand (COD)·m−3/day at 3–8 hr liquid detention times. In the first 200 m3 full‐scale plant of the UASB concept, organic space loadings of up to 16 kg COD·m−3/day could be treated satisfactorily at a detention times of 4 hr, using sugar beet waste as feed. The main results obtained with the process in the laboratory as well as in 6 m3 pilot plant and 200 m3 full‐scale experiments are presented and evaluated in this paper. Special attention is given to the main operating characteristics of the UASB reactor concept. Moreover, some preliminary results are presented of laboratory experiments concerning the use of the USB reactor concept for denitrification as well as for the acid formation step in anaerobic treatment. For both purposes the process looks feasible because very satisfactory results with respect to denitrification and acid formation can be achieved at very high hydraulic loads (12 day−1) and high organic loading rates, i.e., 20 kg COD·m−3/day in the denitrification and 60–80 kg COD·m−3/day in the acid formation experiments.
EFFECT OF RIPENING AND TYPE OF RENNET ON THE MINERAL CONTENT OF LOS PEDROCHES CHEESE

The changes in the macro and micromineral contents (Ca, P, Na, K, Mg, Fe, and Zn) of Los Pedroches cheese, manufactured with pure ewe's milk, were investigated during 100 days' ripening. The effect of the rennet type used (animal or vegetable) on these minerals was investigated too. Using these mineral values, expressed as a function of the dry matter, an analysis of covariance was applied. The rennet type had an influence on the P and Zn contents of the cheeses. There was a significant decreasing trend in the levels of P, Zn and Na values during ripening.
Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O

Tetrafluoroterephthalic acid, (H2tfBDC), forms nine novel crystals with a series of N-containing heterocycles: 2,3-dimethyl pyrazine (2,3-Pyr), 2,6-dimethyl pyrazine (2,6-Pyr), 2,4-diamino-6-methyl-1,3,5-triazine (dmt), Benzoguanamine (bga), 2-methylbenzimidazole (2-MeBzlmH), 1,4-bis(imidazol) butane (bimb), 2-amino-4-hydroxy-6-methyl pyrimidine (ahmp), 1,2-bis[(2-methylimidazol-1-yl)methyl] benzene (L7), and 1,4-bis[(2-methylimidazol-1-yl)methyl] benzene (L5). These crystal structures including salts/co-crystals/hydrates were analyzed and characterized by single crystal X-ray diffraction, IR, and TGA. Single crystal X-ray diffraction studies show that the huge numbers of hydrogen bonds play a significance part in assembling individual molecules into larger architectures, especially the strong N–H⋯O, O–H⋯O hydrogen bonds, and weak but highly directional C–H⋯O and C–H⋯F interactions exist commonly in all nine novel crystals. Crystal structure analysis shows that the F atom of the H2tfBDC participates in C–H⋯F hydrogen bond formation, producing different supramolecular synthons. More importantly, the N–H⋯O, O–H⋯O, and C–H⋯O hydrogen bonds are mainly involved in the supramolecular assembly of these molecules, but C–H⋯F hydrogen bonds convert two-dimensional networks into three dimensional, hence, the C–H⋯F interactions have a crucial role in the formation of higher-order supramolecular structures.
Do randomly placed riparian conservation land-uses improve stream water quality in Iowa, USA?

To improve stream water quality in the United States, government programs subsidize farmers to establish riparian conservation land-uses in agricultural landscapes. This study compared sediment and phosphorus water concentrations from stream reaches adjacent to riparian forest buffers, grass filters, row-cropped fields, pastures with cattle fenced out of the stream, and continuous, rotational and intensive rotational pastures in Iowa. In some cases agricultural land-uses had significantly higher sediment and phosphorus concentrations, while in others the conservation land-uses were higher. The few significant differences between conservation and agricultural land-uses suggest that the random placement of conservation land-uses is an inefficient way to improve water quality.
Using Mathcad To Teach Instrumental Techniques.

Students often have a difficult time relating the mathematical expressions used to describe instrument response to the operation of the instrument in the laboratory. This paper describes a series of Mathcad simulations designed to demonstrate important concepts for instrumentation. These documents allow students to change data acquisition parameters and observe the effect on instrument response. This provides an opportunity for students to experiment with variables without using valuable instrument time. As a result, they are more productive and have a greater understanding of how data acquisition parameters interact. The documents discussed here are used for teaching electronics, signal enhancement, Fourier transforms, FT-IR and NMR.
Temperature Dependence of Crack Spacing in Drying Latex Films

Latex dispersions with different glass-transition temperatures have been dried in Petri dishes over a range of temperatures. The crack spacing is reported and is observed to increase as the temperature approaches the glass-transition temperature of the latex. The data for crack spacing over a range of temperatures is collapsed to a single curve by adapting a scaling for the crack spacing of hard particles. The increase in temperature requires an account to be made for particle deformation and, hence, an increase in particle volume fraction, as well as the temperature dependence of the evaporation rate. The importance of measuring the stress at which films crack is highlighted.
Metabolites of the higher fungi. Part 24. Cytochalasin N, O, P, Q, and R. New cytochalasins from the fungus Hypoxylon terricola Mill

Punctaporonin B, cytochalasin C and D, and five new cytochalasins have been isolated from the culture medium and mycelium of the fungus Hypoxylon terricola. Cytochalasin C is the major metabolite. Cytochalasin N is the 5,6-epoxide of cytochalasin C, and cytochalasins O and P are two epimeric 6-hydroxy analogues. Cytochalasin Q is a 6,7-epoxide and R is a 6,7,13,14-diepoxide. The epoxides formed by cytochalasin C and D are described and the acid- and BF3-induced rearrangement products of cytochalasin N are identified.
Neue Untersuchungen an Fluorkomplexen mit dreiwertigem Silber und Gold

NaAgF4[a = 5,54; c = 10,56 A], KAgF4[a = 5,90; c = 11,15 A], NaAuF4 [a = 5,64; c = 10,49 A], KAuF4 [a = 5,99; c = 11,38 A] und RbAuF4 [a = 6,18; c = 11,85 A] kristallisieren nach Pulveraufnahmen tetragonal im KBrF4-Typ mit planaren [MF4]-Komplexen (M = Ag, Au). Bei LiAuF4 liegt anscheinend eine monoklin verzerrte Variante dieses Typs vor. Due to powder diagrams, Na[AgF4] [a + 5,54; c = 10,56 A], KAgF4 [a = 5,90; c = 11,15 A], NaAuF4 [a = 5,64; c = 10,49 A], KAuF4 [a = 5,99; c = 11,38 A] und RbAuF4 [a = 6,18; c = 11,85 A] crystallize tetragonal, KBrF4-type of structure with planar [MF4]-complexes (M = Ag, Au). Obviously LiAuF4 represents a monoclinic derivative of this structure.
Ionic permeation and blockade in Ca2+-activated K+ channels of bovine chromaffin cells

Single channel currents through Ca2+-activated K+ channels of bovine chromaffin cells were measured to determine the effects of small ions on permeation through the channel. The channel selects strongly for K+ over Na+ and Cs+, and Rb+ carries a smaller current through the channel than K+. Tetraethylammonium ion (TEA+) blocks channel currents when applied to either side of the membrane; it is effective at lower concentrations when applied externally. Millimolar concentrations of internal Na+ reduce the average current through the channel and produce large fluctuations (flicker) in the open channel currents. This flickery block is analyzed by a new method, amplitude distribution analysis, which can measure block and unblock rates in the microsecond time range even though individual blocking events are not time-resolved by the recording system. The analysis shows that the rate of block by Na+ is very voltage dependent, but the unblock rate is voltage independent. These results can be explained easily by supposing that current flow through the channel is diffusion limited, a hypothesis consistent with the large magnitude of the single channel current.
Ab initio kinetic prediction of branching rate constants for reactions of H atoms with CH3O and CH2OH

The ground electronic state potential energy surfaces of the title reactions have been studied at the CCSD(T)/6-311 + G(3df, 2p) level of theory with the geometric parameters optimized at the CCSD/6-311 + G(3df, 2p) level of theory. The direct hydrogen abstraction channels and the indirect association/decomposition channels from the chemically activated methanol molecule have been considered. The barriers for the direct hydrogen abstraction processes in CH3O + H and CH2OH + H are predicted to be 0.11 and 2.2 kcal mol−1, respectively. The rate constants for decomposition of the internally excited CH3OH following the barrierless association reactions have been calculated by micro-canonical VTST/RRKM theory for all accessible product channels. The individual rate constants for the formation of CH2O + H2, predicted to occur primarily by the direct abstraction processes, are in good agreement with the available experimental data in the literature; however, the predicted total rate constants for both title reactions are much greater than those from the literature and CH3 + OH, instead of CH2O + H2, are concluded to be the major products of both processes, contrary to the assumption commonly made in the literature. The branching rate constants for all accessible product channels have been predicted for combustion modeling applications. Additionally, the rate constants for the two related reaction systems, CH3 + OH and CH2 + H2O, have been calculated and compared with the available experimental data; in both cases, agreement between theory and experiment is excellent.
Procesamiento, análisis y clasificación de neuroimagen con arquitecturas Deep Learning híbridas

En este trabajo presentamos los últimos trabajos realizados conjuntamente por los grupos SiPBA y BioSiP, donde se han desarrollado diferentes métodos basados en aprendizaje estadı́stico y Deep Learning para el procesamiento de imágenes cerebrales en diferentes modalidades. Los métodos desarrollados se han aplicado al diagnóstico precoz de enfermedades neurodegenerativas, como la enfermedad de Alzheimer y la enfermedad de Parkinson, proporcionando diferentes representaciones de las imágenes y mejorando las tasas de clasificacón de otros sistemas CAD previamente publicados.
Design and synthesis of thermo-responsive hyperbranched poly(amine-ester)s as acid-sensitive drug carriers

Novel thermo-responsive hyperbranched poly(amine-ester)s were designed and synthesized successfully in one-pot through proton-transfer polymerization of triethanolamine, trimethylolpropane, and glycidyl methacrylate with potassium hydride as a catalyst. The structure of the obtained polymers was confirmed by nuclear magnetic resonance, gel permeation chromatography, Fourier transformed infrared spectroscopy, and differential scanning calorimetery techniques. Thermal induced phase transition behaviors of hyperbranched poly(amine-ester)s were investigated by dynamic light scattering measurements, and the results indicated that these polymers had a tunable lower critical solution temperature (LCST) ranging from 37 to 57 °C. In vitro evaluation suggested that hyperbranched poly(amine-ester)s exhibited low cell cytotoxicity and efficient cell internalization against COS-7 cells. Moreover, doxorubicin (DOX) as a model drug was encapsulated into hyperbranched poly(amine-ester)s in aqueous solution above the LCST. In vitro release studies revealed that the loaded DOX displayed acid-triggered (pH ≈ 5.0) drug release behaviors. The DOX-loaded delivery system was investigated for proliferation inhibition of a Hela human cervical carcinoma cell line, and the DOX dose required for 50% cellular growth inhibition (IC50) was found to be 1.1 μg mL−1. All of these results suggest that thermo-responsive hyperbranched poly(amine-ester)s can be used to construct promising drug delivery systems for cancer therapy.
Photochemical Synthesis of Electrically Conductive CdS Nanowires on DNA Scaffolds

70% H 2 SO 4 ) followed by treatment with hydrofluoric acid and a final rinsing step with ethanol. Thereafter, the chip was washed with DNAse/RNAse free water and allowed to dry in air, before it was placed in the mixture containing DNA, cadmium salt, and TAA solutions and irradiated with UV light (260 nm) for about 6 h followed by a gentle wash. The chip was subsequently dried in vacuum at 25°C for two hours. Preparation of samples for I-V and FE-SEM Studies: Firstly, we cleaned the silicon chip in a similar way as for the AFM studies. DNA chains were then stretched across an electrode using the moving meniscus of a drop of solution. The electrode had a 20 l m gap in which the solution was allowed to evaporate before the chip was washed with DNAse/RNAse free water and allowed to dry in air. Subse-quently, this chip, now bearing DNA chains bridging the Au contacts, was placed in a mixture of Cd 2+ salt and TAA solutions and irradiated with UV light (260 nm) for six hours. It was then gently rinsed with water and dried in vacuum at 250°C for two hours afterwards. I-V measurements were performed on a custom designed, in-house built system. As prepared samples were also visualized using an FE-SEM.
Zinc carboxylate complexes: structural characterisation of some binuclear and linear trinuclear complexes

The preparation and structural characteristics of nine air-stable binuclear zinc(II) carboxylate complexes together with 13 air-stable linear trinuclear complexes of general formula [Zn2M(carboxylate)6(base)2] where MII= Zn, Co, Ni, Cd, Mg, or Ca are reported. The crystal structure of the parent binuclear complex [Zn2(MeCHCHCO2)4(C9H7N)2](C9H7N = quinoline) has been determined. The main feature of interest is the flexibility of the tetracarboxylate framework which can bridge across a wide range of metal–metal distances (e.g. Zn ⋯ Zn 2.976 A in this complex).
Palladium Supported on Cross‐Linked Imidazolium Network on Silica as Highly Sustainable Catalysts for the Suzuki Reaction under Flow Conditions

Highly cross-linked imidazolium-based ma- terials, obtained by radical oligomerization of bis- vinA salts in the presence of 3-mercap- topropyl-modified silica gel, were used as supports for palladium catalysts. Thanks to the high imidazoli- um loading these materials were able to support a high amount of the metal (10 wt%). Such materials were characterized by several techniques ( 13 C magic angle spinning nuclear magnetic resonance, the Bru- nauer-Emmett-Teller technique, X-ray photoelec- tron spectroscopy, and transmission electron micros- copy). The palladium catalysts displayed good activi- ty allowing the synthesis of several biphenyl com- pounds in high yields working with only 0.1 mol% of palladium loading at 508C in ethanol/water under batch condition. Moreover, a flow apparatus, to opti- mize the efficiency of the isolation of the pure prod- ucts and minimize waste (E-factor), was investigated. For the first time the palladium catalyst and base (K2CO3) were placed in two separate columns allow- ing an easy recovery of the products with very low E-factor values (< 4). Waste production was reduced by over 99% compared to classic batch conditions. Because of the high Pd loading only 42 mg of cata- lysts were employed in the Suzuki reaction between 160 mmol of 4-bromotoluene and 180 mmol of phe- nylboronic acid. No loss in activity was observed.
Genetic modification of shade-avoidance: overexpression of homologous phytochrome genes in tomato

Transgenic tomato (Lycopersicon esculentum Mill.) lines, overexpressing the tomato phytochrome genes PHYA, PHYB1 and PHYB2, under the control of the double CaMV-35S promoter have been generated to test the level of saturation in individual phytochrome-signalling pathways in tomato. For the detection of PHYA, PHYB1 and PHYB2, specific antibodies were produced and characterised. Analysis of RNA using RT-PCR and analysis of protein using Western blots confirmed the presence of elevated phytochrome mRNA and phytochrome protein levels in dark-grown seedlings of the respective PHY overexpressing (PHYOE) lines. Exposure to 4 h of red light (R) resulted in a decrease in PHYA in the PHYAOE lines, indicating that the excess of PHYA is also targeted for regulated destruction. This indicates that the extra phytochromes are assembled into holoproteins and that chromophore availability is not limiting. The elongation and anthocyanin accumulation responses under white light, R and far-red light (FR) were used for characterization of selected PHYOE lines. In addition, the anthocyanin biosynthesis during a 24-h period of monochromatic R and FR at different fluence rates in 4-day-old dark-grown seedlings has been studied. The elevated levels of phyA in the PHYAOE lines (PHYA increased up to 32-fold) had little effect on seedling and adult plant phenotype. However PHYAOE in phyA mutant background rescued the mutant phenotype, proving that expression of the transgene results in biologically active phyA. Similarly, PHYB2OE was able to rescue the phyB1phyB2 double mutant phenotype. The PHYB1OE lines (PHYB1 levels increased up to 32-fold) showed only a mild effect on inhibition of stem elongation and anthocyanin accumulation, and showed little or no effect on the R high irradiance response (RHIR). In contrast, in the PHYB2OE lines (PHYB2 level increased up to 200-fold), PHYB2OE resulted in a strong inhibition of elongation, enhancement of anthocyanin accumulation and a strong amplification of the R-HIR. *This chapter has been published, together with some of the results of chapter 3 in Journal of Experimental Botany (2007), 58: 615-626.
N-[2.4.4.6.6-Pentafluor-1.3.5.2.4.6.-triazaphosphor(V)inyl-(2)]schwefelimide („N-Pentafluorcyclotriphosphazoschwefelimide”)

P3N3F5NH2 (1) reagiert mit Lewis-aciden Schwefelhalogeniden wie SF4 und OSCl2 zu P3N3SNF52 (2) und P3N3F5NSO (3). Mit PCl5 setzt sich 3 zu P3N3nF5NSCl2 (4) um. In Gegenwart katalytischer Mengen Pyridin erhalt man aus 3 bei 100° unter SO2-Abspaltung P3N35NSNP3F5 (5). Die IR-, NMR- und Massenspektren werden mitgeteilt. N-[2,4,4,6,6-Pentafluoro-1,3,5,2,4,6-triazaphosphor(V)inyl-(2)]sulphurimides („N-(Pentafluorcyclotriphosphazo)sulphurimides”) P3N3NH2 (1) reacts with sulfurhalogen Lewis acids such as SF4 and OSCl2 to give P3N3F5 NSF2 (2) and P3N3F5NSO (3). 3 reacts with Pcl5 producing P3N3NSCl2 (4) In the presence of catalytic amounts of pyridine and at 100°, SO2 is eliminated from 3 and P3N3F5NSN- P3N3F5 (5) is formed. The i.r. , n. m. r. and mass spectra are reported.
Wafer bonded four‐junction GaInP/GaAs//GaInAsP/GaInAs concentrator solar cells with 44.7% efficiency

Triple‐junction solar cells from III–V compound semiconductors have thus far delivered the highest solar‐electric conversion efficiencies. Increasing the number of junctions generally offers the potential to reach even higher efficiencies, but material quality and the choice of bandgap energies turn out to be even more importance than the number of junctions. Several four‐junction solar cell architectures with optimum bandgap combination are found for lattice‐mismatched III–V semiconductors as high bandgap materials predominantly possess smaller lattice constant than low bandgap materials. Direct wafer bonding offers a new opportunity to combine such mismatched materials through a permanent, electrically conductive and optically transparent interface. In this work, a GaAs‐based top tandem solar cell structure was bonded to an InP‐based bottom tandem cell with a difference in lattice constant of 3.7%. The result is a GaInP/GaAs//GaInAsP/GaInAs four‐junction solar cell with a new record efficiency of 44.7% at 297‐times concentration of the AM1.5d (ASTM G173‐03) spectrum. This work demonstrates a successful pathway for reaching highest conversion efficiencies with III–V multi‐junction solar cells having four and in the future even more junctions. Copyright © 2014 John Wiley & Sons, Ltd.