Miracle-dz/UniFAR-FTUs huggingface dataset:
Spatial bistability of two-dimensional turing patterns in a reaction-diffusion system

A Turing bifurcation from an uniform state to a striped patterned state was observed in experiments conducted in a single-phase spatial open gel reactor with the chlorite-iodide-malonic acid-starch (CIMA) reaction; previous experiments had revealed a bifurcation from a uniform state to hexagons rather than stripes. A modified reactor is used to demonstrate that the hexagonal and striped patterns are quasi-two-dimensional; this is further confirmed by a direct measurement of the third dimension of patterns with a camera of high resolution in depth of field. For some range of chemical concentrations the hexagonal and striped patterns are bistable; this is the first evidence of spatial bistability between Turing structures. 24 refs., 5 tabs.
Vancomycin and ristocetin models: synthesis via the Ullmann macrocyclization reaction

The preparations of 2 and 3, the parent skeletons of the CD and DE diphenyl ether 16-membered ring systems of vancomycin and ristocetin, bared on the implementation of an intramolecular Ullmann macrocyclization reaction are detailed. Additional studies which define the scope of substrates suitable for use in the Ullmann macrocyclization reaction are described including a limited study of those bearing centers capable of racemization. Within the limited series of agents examined, Ullmann macrocyclization closure of the DE ring system war found to occur at a faster rate and in higher overall yields than those providing the CD ring system. N-Methylation of the amide linking chain decelerates or inhibits Ulmann macrocyclization and α-substitution of the central amino acid of the linking chain significantly increases the cyclization conversions. Racemization of the central amino acid of the linking amide chain was found to be minimal (5%) under reaction conditions where the secondary amides are deliberately deprotonated prior to exposure of the substrate to the thermal, basic reaction conditions
Moving Personality Beyond the Person-Situation Debate The Challenge and the Opportunity of Within-Person

The person-situation debate is coming to an end because both sides of the debate have turned out to be right. With respect to momentary behaviors, the situation side is right: Traits do not predict, describe, or influence behavior very strongly; the typical individual's behavior is highly variable; and a process approach is needed to explain that variability. With respect to trends (e.g., a person's typical way of acting), however, the person side of the debate is right: Traits predict and describe behavior very well over long stretches of time, behavior is highly stable, and a trait approach is needed to explain differences between people. Thus, proponents of both sides are right and should continue to conduct fruitful research, and both viewpoints are necessary for a full understanding of personality. The next exciting steps in personality psychology will include integrating these two approaches in the same re search paradigm.
Trace metals in fish of economic interest from the west of Alexandria, Egypt

The concentration of some heavy metals (Cd, Cu, Fe, Mn, Ni, Pb, and Zn) in the muscle, liver, and gills in eight fish species, Caranx crysos, Euthynnus alleferatus, Scomberomorus commerson, Sphyraena viridensis, Sargus sargus, Siganus rivulatus, Mugil species, and Sardinella aurita were collected seasonally from the Mediterranean Sea in the region of Alexandria. The highest concentrations of Cd, Cu, Fe, and Zn were measured in liver tissue, while gill tissue yielded the highest concentrations of Mn, Ni, and Pb. Muscle is the organ of poor accumulation factor for all metals under investigation. Concentration of cadmium in muscle in Mugil species exceeds the permissible limit in summer, while Siganus rivulatus exceeds it in the summer and autumn seasons. On the other hand, copper, nickel, lead, and zinc are still much lower than the permissible levels. The metal pollution index (MPI) for metals was studied, revealing that Siganus rivulatus, Mugil species and Sardinella aurita had the highest MPI. Provisional tolerable daily intake (PTDI) indicates that the concentration levels of Cd, Cu, Fe, Mn, Ni, Pb, and Zn in the muscle of all fish species under investigation are much lower than recommended PTDI values, and accordingly there is no risk for the human consumption of these fish species.
Swelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes

Nanocomposite (NC) membranes based on hydrophobically modified PVA and laponite were synthesized with varying laponite content in the feed. The incorporation of laponite in NC membranes was investigated by FTIR spectroscopy and thermogravimetric analysis. The swelling ratio of membranes was determined as a function of temperature and laponite content. Swelling studies of NC membranes exhibited the decrease in swelling with an increase in laponite content in the NC membranes. The swelling ratio of NC membrane with 20% laponite slightly increased with an increase in temperature. Dynamic mechanical analysis showed the systematic increase in storage modulus with laponite content, which indicates the enhancement of mechanical property upon laponite addition. There was also a decrease in the tan δ peak values of NC membranes with an increase in laponite content in NCs. The permeabilities through NC membranes as a function of solute size and laponite content were studied and the results showed molecular screening based on size. The permeability of solute reduced due to the presence of well-dispersed laponite in the NC. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 2896–2903, 2007
Synchrotron radiation SAXS/WAXS study of polymorph-dependent phase behavior of binary mixtures of saturated monoacid triacylglycerols

Polymorphic influences on the phase behavior of three types of binary mixtures of saturated monoacid triacylglycerols (TAGs), trilaurin/trimyristin (LLL/MMM), trilaurin/tripalmitin (LLL/PPP), and trilaurin/tristearin (LLL/SSS), were examined by small- and wide-angle X-ray scattering (SAXS/WAXS) using synchrotron radiation. The carbon numbers (Cn) for the fatty acid chains of the three TAGs are 12 (LLL), 14 (MMM), 16 (PPP), and 18 (SSS). In the LLL/MMM system, miscible phase behavior occurred in metastable α and β‘ forms, whereas the most stable β form exhibited a eutectic phase. On the other hand, LLL/PPP and LLL/SSS mixtures showed immiscible phases for α, β‘, and β forms. Therefore, the TAG binary mixtures were miscible in metastable polymorphs of α and β‘ forms when Cn differed by 2, whereas the immiscible mixtures were constructed in all polymorphic forms when Cn differed by 4 and 6.
Characteristics of hydrogenated aluminum nitride films prepared by radio frequency reactive sputtering and their application to surface acoustic wave devices

Hydrogenated aluminum nitride (AlN:H) films have been deposited on silicon wafers by the rf reactive magnetron sputtering method with H2 gas addition to Ar-N2 gas mixture. The changes of physical properties of AlN:H films with different H2 gas addition have been examined by x-ray diffraction, scanning electron microscopy, and x-ray photoelectron spectroscopy. The surface acoustic wave (SAW) filters with wavelength of 60 μm using these films have been fabricated and their SAW velocities and electromechanical coupling coefficients have also been measured by a network analyzer. It is found that as the amount of H2 addition increases, the surface of film becomes smooth, the stress is relieved, the concentration of nitrogen atom increases and that of oxygen atom decreases. We also found that AlN/AlN:H/AlN tri-layered films can prevent the blistering phenomena of AlN:H film. By measuring SAW characteristics of AlN/AlN:H/AlN tri-layered films, the SAW velocity is calculated to be 5280 m/s and electromechanical c.
HEAVY METALS IN MEDICINAL AND FODDER PLANTS OF THE NEGEV DESERT

Abstract The concentrations of heavy metals (zinc, copper, iron, manganese, cadmium, lead and nickel) were measured in 51 desert plants, of which 42 are considered medicinal, three fodder and six common plant species. Accumulation of certain heavy metals in some plant species was 2 ‐ 260‐fold higher than the available heavy metal content of the soil of the Negev desert. The highest levels of heavy metal (mg kg−1 dry weight) were: Fe: 3020 in Gundelia tournefortii and 2485 in Anchusa strigosa; Cu: 27 and 21 in Nicotiana glauca and Anchusa strigosa, respectively; Zn: 113 and 85 in Populous euphratica and Achillea fragrantissima, respectively; Mn: 109 and 99 in Phagnolon rupestre and Anchusa strigosa, respectively; Cd: 22 in Achillea fragrantissima; Pb: 33 in Asparagus aphyllus, 25 in Echinops polyceras, and 23 in Seriphidium sieberi; Ni: 19 and 16 in Paronychia argentea and Anchusa strigosa, respectively. The accumulation of heavy metals in some desert plants may open a new perspective for application of th.
The surface modification of cellulose fibres for use as reinforcing elements in composite materials

The interest in using cellulose fibres as reinforcing elements in composite materials based on polymeric matrices is constantly growing, mainly because of the many advantages associated with this renewable material. However, the preparation of cellulose-based composites is perturbed by the highly hydrophilic character of the fibres, which is associated with a low interfacial compatibility with hydrophobic polymeric matrices, as well as with a loss of mechanical properties after moisture uptake. In order to reduce the hydrophilic character of cellulose fibres and to improve the strength of their adhesion to the matrix, it is necessary to undertake a structural modification of their surface. Several approaches have been studied, namely (i) physical treatments such as corona, plasma, laser, vacuum ultraviolet and γ-radiation treatments; (ii) chemical grafting by direct condensation, including surface compatibilisation with hydrophobic moieties and co-polymerisation with the matrix. The copolymerisation approach called upon different strategies: (i) The use of bi-functional molecules capable of reacting with the OH groups of the cellulose surface and leaving the second functions available for further exploitation; (ii) The direct activation of the surface and the subsequent graftingfrom polymerisation; and (iii) The condensation of organometallic compounds, followed by their coupling with suitable reactive molecules or macromolecules. The characterisation of the modified surfaces involved a variety of techniques, including elemental analysis, contact angle measurements, inverse gas chromatography, X-ray photoelectron and FTIR spectroscopy, water uptake, etc. The present survey reviews the different approaches proposed in the literature and critically assesses their respective merits and drawbacks.
Heavy metal pollution in the Baotou section of the Yellow River, China

Abstract Baotou City is a representative heavy industrial city in the drainage basin of the Yellow River. This paper studies the pollution of a contaminated section (Baotou section) of the Yellow River, China, with a known anthropogenic heavy metal input from the industrial discharge. The distribution of heavy metals (Cu, Pb, Zn and Cd) in the overlying water, filtered water (overlying water filtered through a 0.45-μm filter membrane) and sediments was determined in the Baotou section of the Yellow River. The results of this research indicate that heavy metal pollutants transport mostly through the carriers of suspended particulates and sediments in the fluvial environment. Baotou City’s industrial discharge draining into the Yellow River from the tributaries (the Kundulun River and the Sidaosha River) increases the concentrations of Cu, Pb, Zn and Cd in the mainstream and influences heavy metals speciation. Speciation analyses show that the Cd is easily enriched in the secondary phase (bioavailable form), followed by Pb. Furthermore, based on the acute water quality criteria (WQC-Acute) and chronic water quality criteria (WQC-Chronic) set by the United States Environmental Protection Agency, the acute sediment quality criteria (SQC-Acute) and the chronic sediment quality criteria (SQC-Chronic) are calculated respectively using the developed equilibrium partitioning approach (EqP). By comparing heavy metal contents in sediments with SQC-Acute and SQC-Chronic respectively, we note that Pb and Cd have posed a high risk to the quality of water environment and to the aquatic ecosystem health of Baotou section of the Yellow River.
Measurement of Polycyclic Aromatic Hydrocarbons Associated with Size-Segregated Atmospheric Aerosols in Massachusetts

Size-segregated atmospheric aerosols were collected from urban and rural locations in Massachusetts using a micro-orifice impactor. The samples were analyzed for polycyclic aromatic hydrocarbons (PAH) with molecular weights between 178 and 302, using gas chromatography/mass spectrometry. Fifteen PAH were quantified in the urban samples and nine in the rural samples. The quantification results are in good agreement with available ambient monitoring data. In the urban samples, PAH were distributed among aerosol size fractions based on molecular weight. PAH with molecular weights between 178 and 202 were approximately evenly distributed between the fine (aerodynamic diameter 2 μm) aerosols. PAH with molecular weights greater than 228 were associated primarily with the fine aerosol fraction. In the rural samples, low and high molecular weight PAH were associated with both the fine and coarse aerosols. Slow mass transfer by vaporization and condensation is proposed to e.
Analysis of Soil Chemical Properties of Sand-Based Turfgrass Rootzone using Fourier Transform–Infrared Spectroscopy

To evaluate diffuse reflectance Fourier transform–infrared (DRIFT) in near-infrared (NIR) and mid-infrared (MIR) regions in conjunction with partial least square regression analysis for sand-based turfgrass soils, soil samples were collected from greens 6 to 9 years old, composed of two rootzone mixtures and from two establishment fertilization regimes, at different depths (surface to 7.6 cm in 12 layers). Mid-infrared and NIR spectroscopy resulted in similar calibration accuracy for total organic carbon, total nitrogen, cation exchange capacity, electric conductivity, and pH with R 2 > 0.80. The modeling process for MIR spectrum was repeated on sample subsets, which were grouped from the original samples based on rootzone mixtures, putting green age, and depth to test the robustness of prediction models. Results of this study suggested that DRIFT-NIR and DRIFT-MIR could be used to predict these properties of sand-based turfgrass soils providing the soil samples are from similar depths.
Entropy and Related Thermodynamic Properties of Carbon Suboxide

The heat capacity, the temperature of fusion (160.962°±0.002°K), the heat of fusion (1290.9±0.4 cal/mole), the vapor pressures, the heat of vaporization, and the entropy of the ideal gas at 1 atm, 230°K 62.12±0.15 cal/deg·mole) have been determined for carbon suboxide. The known structure and the six known fundamental vibrations lead to a calculated entropy of 54.33 cal/deg·mole, exclusive of the unknown seventh fundamental. The unobserved, doubly degenerate bending mode must have a frequency of about 61.6±2.6 cm−1.
An investigation of the role of cross-linking and photodegradation of side-chain coumarin polymers in the photoalignment of liquid crystals

A surface anisotropy has been shown previously to be induced in thin films of photoreactive coumarin side-chain polymers by polarized UV illumination. Consequently, the resultant cross-linked polymer layers can be used as photoalignment layers for liquid crystal displays. Homogeneous alignment of a nematic liquid crystal in contact with a layer of a model coumarin side chain polymer is obtained with the director parallel or perpendicular to the UV polarization axis depending on the incident fluence. Spectroscopic analysis of the alignment layer now confirms that both photodegradation and cross-linking occur with different dependencies on fluence. Low UV fluences give parallel photoalignment and high cross-linking reactivity. However, the residual, unreacted polymer side chains show negligible anisotropy because of their freedom to move in an isotropic fashion. Hence, parallel liquid crystal alignment is attributed to a steric interaction between the liquid crystal and syn-dimerized side chains of the cros.
55Mn ENDOR of the S2-State Multiline EPR Signal of Photosystem II: Implications on the Structure of the Tetranuclear Mn Cluster

We have performed continuous-wave electron paramagnetic resonance (CW-EPR) and electron spin echo electron nuclear double resonance (ESE-ENDOR) experiments on the multiline form of the S2-state of untreated, MeOH-treated, and ammonia-treated spinach photosystem II (PS II) centers. Through simultaneously constrained simulations of the CW-EPR and ESE-ENDOR data, we conclude that four effective 55Mn hyperfine tensors (AX, AY, AZ) are required to properly simulate the experimental data [untreated and MeOH-treated PS II centers (MHz): −232, −232, −270; 200, 200, 250; −311, −311, −270; 180, 180, 240; ammonia-treated PS II centers (MHz): 208, 208, 158; −150, −150, −112; 222, 222, 172; −295, −315, −390]. We further show that these effective hyperfine tensors are best supported by a trimer/monomer arrangement of three Mn(IV) ions and one Mn(III) ion. In this topology, MnA, MnB, and MnC form a strongly exchange coupled core (JAB and JBC < −100 cm-1) while MnD is weakly exchange coupled (JCD) to one end of the trin.
Fluorescent optode membrane based on organogel for humidity sensing

Optode membranes for use in the quantitative detection of relative humidity were developed by entrapping a fluorescent dye, Sulforhodamin 101, in gelatine-containing microemulsion-based organogels deposited on overhead transparency films. These organogels are fabricated from solutions of Sulforhodamin 101, sodium bis(2-ethylhexyl)sulfosuccinate and gelatine in water–isooctane solvent mixtures. These optode membranes exhibit strong fluorescence emission with excitation and emission maxima at 588 and 608 nm, respectively. The fluorescence emission intensity decreases with increase in relative humidity and yields a linear response range of relative humidity from 35 to 100% with a correlation coefficient of 0.991 at room temperature. Response and recovery times are within 1 min. The optode membranes show good repeatability and photostability and a long lifetime. Oxygen and carbon dioxide gases do not cause any interference. Other organic solvent vapours have a very slight interference on the optode membranes. The optode membranes were successfully applied for the measurement of relative humidity in different laboratory airs.
Regional Differences in Soil Carbon and Nitrogen Storage as Affected by Land Use and Soil Moisture Regime

Climate, particularly precipitation and to a lesser degree temperature fluctuations, and land use have often been shown to affect soil organic matter (SOM), carbon (C), and nitrogen (N) storage and cycling. Soil moisture regime has been suggested as a potentially important factor in determining soil organic C (SOC) content. However, few studies have specifically investigated soil moisture regime effects on SOM, SOC, or N storage or sequestration. The objective of this study was to evaluate potential regional differences in the effects of land use and soil moisture regime on changes in near-surface SOM, SOC, and total N (TN) contents and C:N ratio during a 6-year period in a silt-loam soil. Soil bulk density, SOM, and SOC, and TN changes during a 6-year period were measured on replicate samples collected from the top 10 cm in udic and aquic soil moisture regimes representing both managed agriculture and native grassland in the Ozark Highlands region of northwest Arkansas and in the Grand Prairie region of east central Arkansas. All treatment factors examined affected soil bulk density over time. Soil OM and SOC storage were affected by region, land use, and soil moisture regime, but SOM and SOC sequestration were unaffected by soil moisture regime. However, TN content increased by 0.03 kg m−2 over time in the aquic moisture regime in the Ozark Highlands and decreased by 0.03 kg m−2 in the Grand Prairie. Total N content also increased over time in the udic moisture regime by 0.03 kg m−2 under native prairie and decreased by 0.03 kg m−2 under agricultural land use. It is clear that the average degree of wetness a soil experiences, as indicated by soil taxonomy's soil moisture regime, directly affects N storage, cycling, and sequestration, and indirectly affects SOM and SOC cycling through effects on the soil C:N ratio. Soil moisture regime differences that may exist among sites and/or treatments should be at least examined and accounted for when necessary in future studies.
Local density calculation of positron annihilation in metals

A comprehensive set of calculations of positron lifetimes in bulk metals demonstrate that experimental lifetimes are reproduced well by a simple first-principles theory in which the annihilation rate (the inverse of the lifetime) is evaluated in a local density approximation. It is shown that the method presented avoids assigning unrealistic enhancement factors for annihilation with valence and d-band electrons, in contrast to previous calculations in which partial annihilation rates with different types of electrons are evaluated separately.
Geometry, Electronic Structure, and Bonding in CuMCh2(M = Sb, Bi; Ch = S, Se): Alternative Solar Cell Absorber Materials?

Cu-based I–III–VI2 materials have enjoyed much attention as candidate solar cell adsorbers. While the vast majority of studies has centered on materials with group 13 (In, Ga) as the trivalent metal, the scarcity and expense of In has motivated a research drive to discover alternative Cu-based absorber materials. In this study, we use screened hybrid density functional theory (DFT) to investigate the electronic structure and bonding in some novel I–III–VI2 materials, namely, CuMCh2 (M = Sb, Bi; Ch = S, Se). We demonstrate that these materials possess fundamental band gaps that are indirect in nature, which is at variance with previous experimental results. We analyze the crystal structures and rationalize the structural differences between these and typical chalcopyrite materials. The band structure features and bonding of these materials are then discussed in relation to their utility as solar cell absorbers.
Microscopic Structure of Bayberry (Myrica Rubra Sieb. Et Zucc.) Juice Haze

The microstructure of bayberry juice hazes after storage at 25°C for 6 months was examined by light microscopy and transmission electron microscopy. Haze particles were found spherical and elliptical surrounded by translucent membranes. The transmission electron microscopic study indicated that the particles had three substructures: stain impenetrable central “core,” stain penetrable middle part, and floccule–like outer space structure. The “core” and the middle part of the haze were assumed to be the polyphenols or polyphenol/protein complexes, and the outer space was mainly the protein component. These particles were found to be aggregated to form dentrite or leaf–like structures supposedly due to hydrophobic and covalent links.