Miracle-dz/UniFAR-FTUs huggingface dataset:
57Fe Mössbauer Spectroscopic Investigations on the Brownmillerite Series Ca2(Fe2−xAlx)O5

Several compounds along the Brownmillerite solid solution series Ca2Fe2−xAlxO5 with 0.0 ⩽ x ⩽ 1.34 have been synthesized by slow cooling from the melt and subsequent quenching. These samples were studied by Mossbauer spectroscopy at different absorber temperatures. Samples up to x = 1.00 are antiferromagnetically ordered at room temperature and can be evaluated by one octahedral and one tetrahedral magnetically split subspectra. With increasing temperature or increasing Al3+‐content, respectively, the local magnetic fields decrease and finally collapse (TN = 518 K for x = 0.0 and TN = 298 K for x = 1.06, respectively). Despite the change of space group symmetry, quadrupole splittings at both positions increase almost linearly with increasing Al3+‐content. This can be referred to structural changes reported in [3]. Even at low Al3+‐contents, there always is a distribution of Fe3+ and Al3+ over the tetrahedral and octahedral positions in contrast to earlier results (e.g. [6]). Fe3+ prefers the octahedral an.
Synthesis of Hexameric Lignin Model Compounds

The complexity of lignin structure and the difficulty of obtaining representative lignin samples in an unchanged state make it necessary to work with "model compounds". These are usually low molecular weight compounds with defined structures which are designed to mimic specific structural elements in the native lignin. In the course of work on lignin biodegradation by bacteria and fungi it became of interest to study lignin model compounds larger than dimers. Previously well defined tetrameric model compounds have been prepared by dimerising dimeric compounds using phenolic oxidative coupling (Hyatt 1987). We have now extended this method to the preparation of hexameric lignin model compounds containing ß-O-4 and 5-5' interunit linkages by dimerising trimeric lignin model compounds. The dimerisation of trimers to hexamers, and structure of trimers 1-3 and hexamers 4-6, are presented in Figure 1.
Vine Water Stress and Peduncle Girdling Effects on Pre- and Post-Veraison Grape Berry Growth and Deformability

To elucidate the effects of developmental xylem discontinuity in grape (Vitis vinifera L.) berries, greenhouse-grown Pinot noir vines bearing pre- or post-veraison clusters were subjected to water stress or peduncle girdling/ detaching. Berry growth rate (change in diameter per day) and deformability were measured as indicators of berry water status. Berry diameter increased slightly in pre-veraison clusters on well watered vines; diameters of berries on unwatered vines decreased significantly. Pre-veraison berry deformability was four times greater in unwatered versus watered vines on the final day of the experiment. Bagging pre-veraison clusters to slow transpiration had little effect on berry growth rate or deformability. Post-veraison berry growth rate and deformability were not affected significantly by vine water stress. Heat girdling cluster peduncles decreased pre-veraison berry growth rates by 75%, but had a negligible effect on berry deformability. Diameter loss in post-veraison berries was increased by 40% after girdling; berry deformability increased by 44%. The rate of berry diameter loss on a detached cluster was almost three times higher, and berry deformability 26% higher, than the same measurements taken from a girdled cluster. A xylem discontinuity in the berry near veraison is consistent with these findings.
The Activity of Oxidative Stress Markers in Acute Respiratory Distress Syndrome / Oksidativa Stresa Marķieru Aktivitate Akuta Respiratora Distresa Sindroma Gadījuma

Abstract Acute respiratory distress syndrome is a common complication characterised by severe hypoxemia, which leads to high mortality rates in ICU patients. Imbalance between oxidative stress markers like oxidants and antioxidants may play an important role in pathophysiology of the syndrome. We observed 17 ARDS patients during seven days after inclusion, with the main goal to describe dynamic changes in the level of oxidative stress markers in patients with acute respiratory distress syndrome. We found that there are dynamic differences in the level of malondialdechyde (MDA) and nitric oxide (NO) in patients with acute respiratory distress syndrome. There were also different levels of oxidative stress markers in non-survivor compared with survivor groups. Increased level of an oxidant like a thiobarbituric acid substance with malondialdechyde (TBS_MDA) and antioxidant glutathionperoxidase (GPx) at the first day after inclusion was related with poor outcome in patients with acute respiratory distress syndrome. Abstract Akūts respirators distresa sindroms (ARDS) ir viena no biežākajām komplikācijām, kas saistīta ar smagu hipoksēmiju un augstu mirstību intensīvās terapijas un reanimācijas nodaļas pacientu vidū. Līdzsvara traucējumi starp oksidantiem un antioksidantiem var nopietni ietekmēt ARDS patofizioloģiju. Dinamikā tika novēroti 17 pacienti ar ARDS septiņu dienu laikā kopš iekļaušanas pētījumā ar mērķi sekot izmaiņām oksidantu un antioksidantu aktivitātē. Saskaņā ar iegūtajiem rezultātiem tika secināts, ka pacientiem ar ARDS dinamiski izmainās tādu oksidantu aktivitāte kā malondialdehīds un slāpekļa oksīds. Mirušo pacientu grupā oksidantu un antioksidantu līmenis bija atšķirīgs salīdzinājumā ar izdzīvojušiem pacientiem. Paaugstināta tiobarbitūrskābes atvasinājumu un glutationperoksidāzes aktivitāte pirmajā dienā kopš iekļaušanas pētījumā pozitīvi korelē ar nelabvēlīgu slimības iznākumu pacientiem ar akūtu respiratoru distresa sindromu.
Effect of sowing times on yield and economics of different rice genotypes under climatic condition of Konkan

A field experiment was conducted to assess the effect of sowing time on yield and economics of different rice varieties under climatic condition of Konkan on lateritic soil having low to moderate soil fertility status during Kharif, 2013 and 2014. The experiment was laid out in split plot design with three main plot viz., sowing times and nine sub plot treatments viz., varieties. Thus, there were 27 treatment combinations, replicated three times. The pooled mean of data showed that the significantly higher grain yield was recorded by short duration hybrid Sahyadri-4 sown during 23rd meteorological week followed by same hybrid sown during 24th meteorological week and medium duration variety Jaya sown during 23rd meteorological week. However, in case of straw yield in the pooled data, the significantly higher value was recorded by medium duration variety Karjat-5 sown during 23rd meteorological week followed by same variety sown during 24th meteorological week. In respect of economics of treatment combinations, the highest net returns and B:C ratio were obtained when rice crop was sown during 23rd meteorological week with short duration hybrid Sahyadri-4 which was closely followed by the medium duration variety Jaya sown during 23rd meteorological week.
Ultra-fast growth of the monocrystalline zinc oxide nanorods from the aqueous solution

A new inexpensive method of the ultra-fast growth of ZnO nanorods from the aqueous solution is described. This environment friendly and fully reproducible method allows growth of nanorods in about 1–3 min time on various substrates, without any catalyst or complexing agent. The substrates need to be coated with a layer of gold droplets, which nucleate the growth. Growth temperature does not exceed 50oC and growth can be performed at atmospheric pressure. Deionised water and zinc acetate are used as oxygen and zinc precursors, respectively. The method is characterised by simplicity and allows regulating size of the ZnO nanorods in a large extent. Due to simplicity and safety of this method, it is suitable for industrial applications, i.e., in the construction of gas sensors or highly sensitive light detectors (changes of sample resistivity upon illumination).
The Constituents of Petasites japonicus: Structures of Fukiic Acid and Fukinolic Acid

A major polyphenol from P. japonicus, named fukinolic acid (XII), was isolated and its structure was investigated. Fukinolic acid afforded a new polyphenol named fukiic acid (I) and caffeic acid on hydrolysis in molar ratio 1:1. The structure of fukiic acid was established as 2,3-dihydroxy-4-(3′,4′-dihydroxyphenyl)-3-carboxybutyric acid (I), and its methyl derivatives were described.Based on evidences presented, the structure for fukinolic acid was proposed as XII. It was further demonstrated that fukinolic acid caused the brown discoloration on action of a polyphenoloxidase from the plant tissues.
Essential Oils of Four Turkish Wild-Growing Labiatae Herbs: Salvia cryptantha Montbr. et Auch., Satureja cuneifolia Ten., Thymbra spicata L. and Thymus cilicicus Boiss. et Bal.

Abstract The essential oils obtained by hydrodistillation of four Labiatae herbs, namely Salvia crytantha. Montbr. et Auch. , Satureja cuneifolia Ten. , Thymbra spicata L. and Thymus cilicicus Boiss. et Bal. growing wild in Middle Anatolian provinces of Turkey, were analyzed by GC and GC/MS. Fifty-four compounds were identified in S. cryptantha oil of which camphor (18.1%), 1,8-cineole (17.8%), and bornyl acetate (11.4%) were major. In the oils of S. cuneifolia, 38 compounds were identified, with thymol (43.6–65.5%), carvacrol (4.7–31.2%), γ-terpinene (trace-13.7%) and p-cymene (trace-11.5%) being dominant. Of the 33 compounds identified in T. spicata oil, the main components were p-cymene (22.1%), γ-terpinene (21.4%), carvacrol (21.1%) and thymol (11.8%). The oil of T. cilicicus, which contained 35 constituents, was found to be rich in α-terpineol (16.4%) and camphor (9.7%).
Curve of absorption of nutrients in hydroponic lettuce.

To contribute to knowledge about plants of nutritional importance the work aims to study the motion of absorption of nutrients in lettuce in hydroponic system. Set up an experiment in Fazenda Canto Verde, Mossoró, RN, in the design in randomized blocks with four replicates and treatments were made by the six times of sampling: 0, 6, 12, 18, 24 and 30 days after transplanting (DAT). We evaluated the production of fresh and dry weight of shoot, focus and content of macronutrients accumulated over time. The cultivar received 5.12 kg m yield. In terms of concentration of nutrients in the shoot, the nutrients N, P and K showed levels consistent with the literature cited, and the potassium in the nutrient most obviously during the cycle, giving behavior in the concentration over the cycle, so cube. The content of nutrients (mg plant) had high value for potassium (641.7 mg plant), below normal for phosphorus (31.9 mg plant) and according to the literature for nitrogen (295.4 mg plant).
First-principles modeling of molecular switches at surfaces

The scientific vision of nanotechnology is the atomically precise fabrication and manipulation of mechanical and electronic components. A promising route to such control on the molecular scale, is to construct components from controllable molecules. Of these, molecules with properties bi-stably and reversibly modifiable by external stimuli, so-called molecular switches, are the simplest case with obvious applications. The azobenzene molecule qualifies in this class by undergoing reversible photo-isomerization between its cis and trans conformers with particularly high yield and stability, rendering it an archetype of molecular switches research. Ostensibly, direct interaction with single or few switch units requires localization and ordering of switches, e.g. adsorbed at a solid surface. However, so far, surface adsorption of azobenzene without substantial to total loss of switching function has not been achieved. The use of ligands decoupling switch moieties from the substrate, while a promising possible solution to this problem, has a comparably detrimental influence in a number of cases. This thesis investigates azobenzene adsorption in the two model cases of complete and no switch substrate decoupling, using theoretical surface science techniques. Aiming at quantitatively predictive modeling, a wide range of first-principles and ab initio simulation methods is employed. Since in particular interactions of organic molecules with metal surfaces pose a tremendous challenge to such methods, the second main theme is methodological in nature, notably addressing the problem of simultaneous treatment of a metallic substrate bandstructure, and weak van der Waals (vdW) substrate adsorbate interactions. In combination with various experimental X-ray and UV/Vis spectroscopy techniques, azobenzene-functionalized self-assembled monolayers (SAMs) are studied as an example of complete switch surface decoupling. The results identify excitonic coupling between switch units as a main cause of switch yield loss in this system. Implying that such loss is intrinsic to azobenzene above a critical component density, this finding – in addition to previously discussed steric limitations on switch motion – is crucial to future design of surface-decoupled switch arrays. Direct switch adsorption at close-packed coinage metal (Cu, Ag, Au) surfaces is modeled explicitly accounting for the substrate electronic structure. The current work-horse simulation method for such a problem – density-functional theory (DFT) with (semi-) local exchange-correlation functionals – is shown to yield qualitatively incorrect results, primarily due to its deficient description of vdW interactions. Currently beyond the capabilities of accurate ab initio techniques, the problem is revisited using DFT with semi-empirical correction potentials (DFT-D), resulting in a more plausible and consistent bonding picture at all three substrates. State-of-the-art X-ray spectroscopy experiments find the geometry prediction of the most sophisticated correc-
Ferromagnetic/antiferromagnetic exchange bias nanostructures for ultimate spintronic devices

Spintronics applications such as magnetic random access memories (MRAM), sensors (e.g. hard diskdrive read head) and logic devices use ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) interactionsto set the reference direction required for the spin of conduction electrons. Thermally-assisted (TA-) MRAMapplications even use two F/AF exchange biased bilayers: one for reference and one for storage. Suchtechnological applications involve patterning full sheet wafers into matrix of individual bit-cells. Industrialproducts qualification imposes stringent requirements on the distributions of the magnetic properties from cell tocell, including those related to EB. It was supposed few years ago that randomly spread spin-glass like phases atthe F/AF interface or within the bulk of the AF layer significantly contribute to the distributions of EB propertiesin devices after processing. This thesis aimed at factually studying the link between spin-glasses spread overF/AF thin films and bit-cell dispersions of EB in corresponding TA-MRAM. Prior to that the origin of the spinglasslike regions and more specifically the role of Mn-diffusion was consolidated. Mn-diffusion was directlyobserved, understood and the use of complex barriers to reduce such diffusion and consequently to minimize theamount of spin-glass was successfully studied. Mixing AFs as another way to tune the amount of spin-glass likephases was also evidenced in the framework of this thesis. All at once, this last solution also tuned the AF grainsthermal stability and this solved another issue related to TA-MRAM, i.e. finding AF-materials with intermediateretention and write properties compared to the AFs presently used. Finally, those mixed antiferromagnets werethe mean chosen to tune the amount of spin-glass like phases in real TA-MRAM devices and to factually provetheir link with bit-cell distributions of EB properties.
Ion-Pair Formation of Sodium Salts of Several Oxo Anions and Cadmium Halides in Water and the Distribution of Monovalent Sulfate Ion Pairs in Nitrobenzene

Ion-pair formation constants (Kn0, n = 1, 2) of Na2SO4, Na2S2O3, Na2CrO4, CaCl2, CdCl2, CdBr2, and CdI2 in water were determined at 298 K and an ionic strength of 0 mol·dm−3 by potentiometry with Na+-, Cl−-, Br−-, and I−-selective electrodes. Simultaneously, equations for the Kn0 determination based on the DeFord−Hume method were derived. The thus-obtained K10 values for Na2SO4, Na2S2O3, CdCl2, and CaCl2 were compared with those reported before, and the validity of their values was confirmed. Interactions of Na+ with oxo anions (X2−) and Cd2+ with the halide ions in water were characterized by considering hydration to and Coulombic forces acting between these ions. Then, a difference in K10 between CdI+ and NaSO4− was interpreted as that in the Coulombic force between the pairing ions. Also, the K10 difference between Na+BPh4− and Ph4As+Cl− or CaCl+ and NaSO4− was examined by using a thermodynamic cycle of these salts in a water/nitrobenzene (NB) distribution system. Furthermore, the distribution constant.
Electrochemical Behaviors and Anion Recognition of Ferrocene Modified Hyperbranched Polyether

A series of ferrocene modified hyperbranched polyethers HBPO-Fc with different ferrocene content were obtained by cation ring-opening polymerization followed by esterification. Electrochemical behaviors of HBPO-Fc were investigated by cyclic voltammetry (CV) and the influence of ferrocene content of HBPO-Fc, scan rate, solvent and electrolyte concentration on the electrochemical behaviors of HBPO-Fc were discussed, and the dynamic parameters in electrode processes were calculated. Anion recognition of HBPO-Fc was studied by CV and UV−vis. The binding capacities of HBPO-Fc to different anions were compared, and the binding capacities of HBPO-Fc with different ferrocene content were also discussed. Finally, binding models of HBPO-Fc to anions were proposed.
Impact of Roasting Conditions on the Formation of Aroma Compounds in Coffee Beans

ABSTRACT: Hot air roasting of coffee beans results in a large number of aroma compounds. For a given coffee, the aroma profile is determined by the specific conditions for chemical reactions as controlled by the process parameters. Therefore, the influence of roasting temperatures on the formation of key aroma compounds was investigated. Coffee was roasted in 6 different processes to equal degrees of roast and the developing aroma compound profiles were characterized by gas chromatography, mass spectrometry, and olfactometry. A majority of aroma compounds showed the highest increase in concentration at medium stage of dehydration with bean water content from 7 to 2% (wb). Different time-temperature histories led to distinct aroma compound profiles. To reach a specific flavor profile, precise control of roasting time and temperature is required.
Management effects on forms of phosphorus in soil and leaching losses

We should know the effects of soil use and management on the contents and forms of soil phosphorus (P) and the resulting potential for leaching losses of P to prevent eutrophication of surface water. We determined P test values, amounts of sequentially extracted forms of P, P sorption capacities and degrees of P saturation in 20 differently treated soils and compared these data with leaching losses in lysimeters. One‐way analyses of variance indicated that most fractions of P were significantly influenced by soil texture, land use (grassland, arable or fallow or reafforestation), mineral fertilization and intensity of soil management. Generally, sandy soils under grass and given large amounts of P fertilizer contained the most labile P and showed the largest P test values. Fallow and reafforestation led to smallest labile P fractions and relative increases of P extractable by H2SO4 and residual P. Arable soils with organic and mineral P fertilization given to crop rotations had the largest amounts of total P, labile P fractions and P test values. The mean annual concentrations of P in the lysimeter leachates varied from 0 to 0.81 mg l–1 (mean 0.16 mg l–1) and the corresponding leaching losses of P from < 0.01 to 3.2 kg ha–1 year–1 (mean 0.3 kg P ha–1 year–1). These two sets of data were correlated and a significant exponential function (R2 = 0.676) described this relation. Different soil textures, land uses and management practices resulted in similar values for P leaching losses as those for the amounts of labile P fractions. Surprisingly, larger rates of mineral P fertilizer did not necessarily result in greater leaching losses. The contents of P extracted by NaHCO3 and acid oxalate and the degrees of P saturation were positively correlated with the concentrations of P in leachates and leaching losses. As the P sorption capacity and degree of P saturation predicted leaching losses of P better than did routinely determined soil P tests, they possibly can be developed as novel P tests that meet the requirements of plant nutrition and of water protection.
N-Acetyl-β-D-Glucosaminidase Activity in Whole Milk and Milk Fractions

Abstract Experiment 1 was conducted to determine NAGase activity in skim, fat, and cell pellet fractions of foremilk and stripping milk from infection-free quarters. Changes in milk NAGase activity during a 12h in vitro incubation were also determined. Eight cows, two quarters per cow, were used. One quarter of each cow received an intramammary infusion of oyster glycogen. N-Acetyl- β -D-glucosaminidase activity was highest in stripping milk and in milk from infused quarters. The percentages of NAGase activity in skim, fat, and cell pellet fractions were 62.6, 22.4, and 12.6. The NAGase activity of milk incubated in vitro did not significantly change over time. Experiment 2 was conducted to determine if neutrophils lost NAGase activity during extravasation into milk. Leukocytosis was induced in infection-free quarters of five cows. The NAGase activities of peripheral neutrophils and milk neutrophils were not significantly different. Results from both studies suggest that the major source of milk NAGase is the mammary epithelial cell and that milk somatic cells contribute less than 15% of the total milk NAGase activity.
Kinetics of Fast and Slow Transitions in a Liquid Crystalline Polyimide

Liquid crystal polymers (LCPs) are known to exhibit slow and fast phase transitions upon heating and cooling. The kinetics of both types were investigated for an liquid crystal (LC) polyimide derived from pyromellitic dianhydride (PMDA) and 1,3-bis[4'-(4''-aminophenoxy) cumyl] benzene (BACB) (PMDA/BACB). The kinetics were compared with our previous results on poly(bistrifluorethoxyphosphazene) (PBFP), which also shows LC and non-LC transitions, and with nylon PA6, a non-LC reference sample. Transition kinetics were studied upon cooling using non-isothermal differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and polarization microscopy. The DSC experiments were performed by cooling our samples from 400 to 100 °C using rates between 2.5 and 100 K min-1. We observed that the LC transitions show a linear dependency on the cooling rate. These transitions were solely governed by super-cooling and these observations are congruent with our earlier results on PBFP. Apparently, we may conclude that all LC transitions show this linear dependence. For PMDA/BACB, the fast LC transitions were related to the formation of a smectic phase. WAXD did not reveal a crystalline phase in PMDA/BACB. The non-LC transition was related to a thermally activated process, having an apparent activation energy, E A, of ≈ 360 kJ mol -1, indicating a re-arrangement of chains previously randomly oriented. Crystallization could proceed after cooling from the melt to room temperature followed by annealing based on a thermally activated process, with E A ≈ 160 kJ mol-1.