Miracle-dz/UniFAR-FTUs huggingface dataset:
An electrochemical sensor for selective determination of sulfamethoxazole in surface water using a molecularly imprinted polymer modified BDD electrode

This study presents a new electrochemical sensor based on a molecularly imprinted polymer (MIP) modified boron doped diamond (BDD) electrode (MIP/BDD electrode) for the quantitative determination of sulfamethoxazole (SMX). This MIP/BDD electrode is prepared by in situ electro-polymerization of pyrrole (Py) on the BDD electrode in the presence of SMX. This sensor based on the MIP/BDD electrode performs a linear response for SMX from 0.1–100 μM with a limit of detection of 24.1 nM (S/N = 3) and a highly reproducible response (2.32%). The detection of SMX in surface water samples spiked at different concentration levels performs satisfactorily at a recovery of 96.0–106.2%. Furthermore, this sensor exhibits a superior selectivity to recognize SMX molecules even compared with other structural analogues (SDM, SD and SIZ). This high-selectivity determination originates from the imprinted sites of the MIP film which have the advantages of appropriate cavity size and homologous functional groups for the specific recognition of SMX molecules. This specially designed sensor offers a simple, selective, sensitive, reliable, stable and environmentally friendly approach for SMX determination, providing a responsible strategy for effective SMX analysis in environmental water.
Yield response of fennel (Foeniculum vulgare Mill.) to irrigation with saline water

Salinity causes yield reductions if threshold levels are exceeded, while it can cause the deterioration of some qualitative parameters and/or the improvement of others. Two years (2000–2001, 2006–2007) research was carried out to evaluate the effect of water quality on yield and quality of fennel, a vegetable very common in Apulia region. We compared two types of soil and two sodium absorption ratio of irrigation water obtained by dissolving in distilled water NaCl + CaCl2 (1:1) or only NaCl, and four electrical conductivity of water of 0.7 (control), 4, 8 and 12 dS m−1. The soil type does not show any noticeable effect on the tested parameters. The salt type influenced the plant development and the total soluble solids contained in the bulbs. The plant height, the leaf and the bulb weight were, respectively, 6, 11 and 21% higher in NaCl + CaCl2 treatment as compared to NaCl one. The plant height, the leaf and the bulb weight dropped, respectively, by 33, 49 and 71%, shifting from 0.7 to 12 dS m−1 salinity treatments. The dry matter content and total soluble solids increased with rising salinity. In fact, shifting from the control to the more saline treatment, the leaves and the bulbs dry matter increased, respectively, by 15 and 13%, and total soluble solids increased by 17%. Moreover, the increase in salinity favoured the production of flattened bulbs. The application of the Maas and Hoffman model to salinity response confirms the ranking of this species among moderately salt sensitive species, even though the critical threshold was the same for NaCl and NaCl + CaCl2 treatments (1.26 dS m−1), while the slope was higher in NaCl treatment (14.24% m dS−1) than NaCl + CaCl2 (10.39% m dS−1).
Synthesis and Lasing Properties of Highly Ordered CdS Nanowire Arrays

Highly ordered large‐area arrays of wurtzite CdS nanowires are synthesized on Cd‐foil substrates via a simple liquid reaction route using thiosemicarbazide and Cd foil as the starting materials. The CdS nanowires are single crystals growing along the [001] direction and are perpendicular to the surface of the substrate. The characteristic Raman peaks of CdS are red‐shifted and show asymmetric broadening, which is ascribed to phonon confinement effects arising from the nanoscale dimensions of the nanowires. Significantly, the uniform CdS nanowire arrays can act as laser cavities in the visible‐light range, leading to bandgap lasing at ca. 515 nm with obvious modes. The high density of nuclei and the preferential growth direction induce the formation of aligned CdS nanowires on the metal substrate.
Electronic Absorption Edge of Crude Oils and Asphaltenes Analyzed by Molecular Orbital Calculations with Optical Spectroscopy

Previous molecular orbital calculations have shown that polycyclic aromatic hydrocarbons (PAHs) with 4−10 fused rings account for the center electronic band positions for bulk asphaltenes. Here, this work is extended to cover low-energy electronic transitions of crude oils and asphaltenes. The primary determinants in optical absorption band location are shown to be the size and geometry of PAHs. Large PAHs are shown to exhibit optical properties exhibited by asphaltenes and crude oils. Furthermore, these results are consistent with the observed Urbach spectral profiles. The rapidly declining electronic absorption at wavelengths exceeding 600 nm is shown to be consistent with the presence of a few large ring systems. Measurements of concentration and temperature independence of crude oil and asphaltene optical spectra imply that potential contributions to their coloration from charge-transfer and potential free radicals are not significant. Nevertheless, the very small electronic absorbances for very low e.
Pattern of OH radical reaction with adenine and its nucleosides and nucleotides. Characterization of two types of isomeric OH adduct and their unimolecular transformation reactions

The {sup {sm bullet}}OH radical reacts in aqueous solution with adenine, 9-methyladenine, adenosine and its 3{prime}- and 5{prime}-mono- and 3{prime},5{prime}-diphosphates, and with the corresponding 2{prime}-deoxyadenosines by addition to C4 and to C8 of the purine system. The resulting hydroxycyclohexa- or penta(aza)dienyl-type radicals A4OH{sup {sm bullet}} (formed by {sup {sm bullet}}OH addition at C4) and A8OH{sup {sm bullet}} (by addition at C8) undergo a dehydration and a ring-opening reaction, respectively, for which the activation parameters and pH dependencies have been determined. Dehydration of A4OH{sup {sm bullet}}, which yields an oxidizing N{sup 6}-centered neutral radical, is inhibited by H{sup +}, whereas the ring opening of A8OH{sup {sm bullet}} is accelerated by H{sup +} (and also by OH{sup {minus}}). Product analysis data on adenine concerning the effect of additives on the yield of its depletion and of formation of 8-hydroxyadenine indicate that the N{sup 6}-centered radical is repaired by reduction by radicals derived from A8OH{sup {sm bullet}}.
Amylamine stabilized platinum(0) nanoparticles: active and reusable nanocatalyst in the room temperature dehydrogenation of dimethylamine-borane

Herein, we report the preparation and characterization of platinum(0) nanoparticles stabilized by amylamine (C5H11NH2) ligands plus their catalytic use in the room temperature dehydrocoupling of dimethylamine-borane ((CH3)2NHBH3), which has attracted recent attention as a promising solid hydrogen storage material. Amylamine stabilized platinum(0) nanoparticles were reproducibly generated by an ethanol–superhydride reduction method and their preliminary characterization was done by ICP-OES, XRD, ATR-IR, TEM, HRTEM, and XPS spectroscopies. The sum of their results shows the formation of highly crystalline and colloidally stable platinum(0) nanoparticles. The catalytic performance of these new platinum(0) nanoparticles in terms of activity, isolability and reusability was investigated in the catalytic dehydrocoupling of dimethylamine-borane, in which they were found to be active and reusable heterogeneous catalysts even at room temperature.
Achiral bent-core azo compounds: effect of different types of linkage groups and their direction of linking on liquid crystalline properties

We report, the design, synthesis and mesomorphic properties of six new homologous series of achiral bent-core compounds. In this study, we have investigated the effect of different types of linkage groups and their direction of linking, on the mesomorphic properties of azo functionalized compounds. The molecular structures of these newly synthesized compounds are characterized by spectroscopic methods. The liquid crystalline properties are studied using polarizing optical microscopy, differential scanning calorimetry, X-ray diffraction and electro-optical studies. We observed a variety of mesophases in these compounds, viz. N, B1, B2, SmA, SmAdPAetc. From our investigations, we found that the type and the direction of the linkage group affects the thermal range or even sometimes the nature of the mesophase itself. We have also carried out photo-induced studies on the B2 mesophase of some of the selected compounds and found that the reversal in the direction of linkage groups does affect the photochromic properties of the compounds.
Electrorheological properties of polyaniline-vanadium oxide nanostructures suspended in silicone oil

In the present work, organic/inorganic hybrid nanostructures comprised of polyaniline and vanadium oxide were synthesized via a simple hydrothermal technique. The polyaniline/vanadium oxide hybrid morphology was tailored from rods to spheres by controlling the relative concentration of the reactants. The synthesized composites were characterized by x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and field emission scanning electron microscopy (FESEM) for structural and morphological analyses. Electrorheological (ER) properties of the as-prepared nanocomposites suspended in silicone oil were investigated by a rotational viscometer under both steady and dynamic shear. The ER activity of the composite material suspensions showed higher ER effects for the product with the rod-like structures than for the product with the sphere-like structures. The typical ER behaviour showed by the polyaniline-vanadium oxide nanocomposites demonstrated their potential application as an ER smart material.
Proposed Mechanism for the Nitrobenzene Oxidation of Lignin

Des composes phenoliques simples sont oxydes par le nitrobenzene. On propose un mecanisme homolytique impliquant un radical alkyloxy benzylique; ce radical reagit ensuite par coupure homolytique de la liaison Cα-Cβ pour former un derive du benzaldehyde
Crosslinked epoxy materials exhibiting thermal remendablility and removability from multifunctional maleimide and furan compounds

Crosslinked polymeric materials, which exhibit thermal remendability and removability through Diels–Alder (DA) and retro-DA reactions, were obtained from using multifunctional maleimide and furan compounds as monomers. The synthesized monomers possess low melting points and good solubility in organo solvents to show excellent processing properties. The performance of DA and retro-DA reactions were demonstrated with DSC and FTIR measurements. High performance of thermal remendablility and removability of the crosslinked materials were observed with SEM and solvent tests. These materials were applicable in advanced encapsulants and structural materials. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 905–913, 2006
Postharvest quality of achachairú (Garcinia gardneriana) stored at ambient temperature

Achachairú is a tropical fruit that is being evaluated for its potential as a new fruit crop for Puerto Rico. More information is needed concerning postharvest aspects of this fruit. In this paper we describe the physical and chemical characteristics of achachairú during storage at ambient temperature. During each of three harvest years, 75 to 100 fruits were harvested, washed and dried, then divided into five groups. Each group was placed in an open cardboard box and randomly assigned to one of five storage treatments (0, 5, 10, 15, and 20 days at 25 ± 2 °C, 75 ± 5% relative humidity). Physical and chemical properties, including sugar content, were determined for each storage period. Sensory panels evaluated fruits after 0 and 15 days of storage. Over the 20-day storage period fruit weight, size (length and diameter), firmness and pulp weight decreased by 1.5% to 2.5% per day. The rating of external fruit appearance (evaluated on a hedonic scale) deteriorated in a curvilinear fashion over time, initially changing little, and then showing increased deterioration (dark spots and wrinkling) starting at 15 days post storage. Total soluble solids (°Brix) (TSS) increased over time by 0.8 to 1.6% per day, while total titratable acid (TTA) decreased 1.4 to 3.0% per day, resulting in an increase of the sugar-acid ratio (TSS/TTA) of 2.1 to 12.4% per day over 20 days of storage. Sucrose was the most abundant sugar (7.19 g/100 g), followed by fructose (3.38 g/100 g) and glucose (3.18 g/100 g). Panelists judged the sweetness, aroma, acidity, juiciness and overall flavor not to have changed after 15 days of storage. Results of this study suggest that achachairú can be stored at ambient temperature for 15 days and maintain fruit quality acceptable to the consumer.
River Sediment Contamination with Plutonium Isotopes and Heavy Metals in Lublin Agglomeration (Poland)

Plutonium isotopes activity and selected heavy metal concentration in sediment samples from three Lublin rivers are presented. Average values of 239,240 Pu radioactivity is equal to 0.050 ± 0.034 Bq/kg dry weight, and 238 Pu 0.005 ± 0.005 Bq/kg. These values are about 4-times lower those that found in soils from Lublin region. A close correlations between plutonium and calcium concentrations was observed (r = 0.97), but between plutonium and organic matter this was rather poor (r = 0.63). River sediment contamination with heavy metals: Mn, Zn, Pb, Cu and Ba does not exceed the permissible concentration limit in sewage sludge introduced to soil. Mean values of metal concentrations found are: 242 ppm Mn, 313 ppm Zn, 95 ppm Pb, 72 ppm Cu and 274 ppm Ba. Samples collected from the same points after a 4-year period do not reveal large differences in comparison with old ones.
Fertigation of humic substances improves yield and quality of broccoli and nutrient retention in a sandy soil

There is lack of information available concerning the effect of humic substances (HS) applied via fertigation on plant growth in sandy soils. Therefore, a field experiment was carried out at El-Saff district (20 km southwest of Cairo), Egypt, to investigate the role of HS fertigation on water retention of a sandy soil, yield and quality of broccoli (Broccoli oleracea L.) as well as on soil nutrient concentration retained after harvest. The experiment consisted of six fertigation treatments (50%, 75%, and 100% of the recommended NPK-fertilizer rate for broccoli combined with and without HS application at 120 L ha–1) in a complete randomized block design with three replicates. Humic substances affected spatial water distribution and improved water retention in the root zone. Furthermore, application of HS increased total marketable yield and head diameter of broccoli as well as quality parameters (i.e., total soluble solids, protein, and vitamin C). Higher nutrient concentrations were found in the broccoli heads and concentrations of plant-available nutrients in soil after harvesting were also higher, indicating an improvement in soil fertility. In conclusion, HS fertigation can be judged as an interesting option to improve soil water and nutrient status leading to better plant growth.
In-line coagulation to reduce high-pressure membrane fouling in an integrated membrane system: a case study

AbstractMembrane fouling is a critical problem for many nanofiltration (NF) membrane plants. This study demonstrated that the poor spaces of the NF membrane were decreased for the deposition of natural organic matter (NOM) on the membrane surface. In-line coagulation was added prior to the low-pressure filtration step to remove more organic material by microfiltration (MF), thereby improving the quality of the feed-water entering the NF membranes. Three different types of coagulants, i.e. aluminum sulfate, ferric chloride, and polyaluminum chloride, with their different levels at different pH values were used for this study. The optimal dose of each coagulant was determined, and the impact on the NF membrane was assessed by batching and running 20 L of post-coagulation MF permeate through a bench-scale NF membrane for 200 h. Ferric chloride was found to perform the best of these three tested coagulants to reduce NF pressure fouling by reduction of NOM in the NF feed-water. High performance size exclusion .
Another Look at the Asymmetric Reit-Beta Puzzle

The diversification benefit provided by real estate investment trusts (REITs) is of great importance to investors, practitioners and academics. This benefit critically relies on the correlation properties between REIT returns and the factors used to explain REIT returns. Recent studies have documented an asymmetry of the market-beta of equity REITs based on high and low GDP growth states as well as in positive and negative monthly market excess returns. The asymmetry has been labeled a puzzle because attempts to explain the asymmetry have failed and because it persists after controlling for a number of known effects. This study helps to resolve this puzzle by including the Fama-French (1993) book-to-market factor into a model that controls for size and market returns.
Peabody developmental motor scales

Gross Motor Quotient (GMQ) This quotient measures the ability to utilize the large muscle systems to move from place to place, assume a stable posture when not moving, react automatically to environmental changes, and catch/throw objects. High scores on this composite are made by children with well-developed gross motor abilities. These children would have above average movement and balance skills. They are likely to be children who could be described as agile, well-coordinated, and graceful in their movements. Low scores are made by children who have weak movement and balance skills. These children may have difficulty in learning to crawl, walk, and run. A deficit in gross motor abilities can be mild and the child's movements may be described as clumsy and uncoordinated. More severe gross motor problems may limit a child's use of their legs to such a degree that they will need assistance to move from place to place.
Carbon monoxide binding to copper-containing nitrite reductase from Alcaligenes faecalis

To probe the active site of copper-containing nitrite reductase (NiR), the carbonyl derivatives of the wild-type enzyme and the Asp98Asn variant were studied by Fourier transform infrared (FTIR) spectroscopy. CO bound to wild-type NiR exhibits a single absorption band at 2050 cm-1 (Δν = ∼11 cm-1) arising from the C−O stretching mode. This band is not significantly affected by pH change (pH ≤ 8.0) or by H/D exchange. Interestingly, CO bound to the Asp98Asn variant exhibits two C−O stretching frequencies, one located at 2060 cm-1 (A1) and the other at 2041 cm-1 (A2). These two bands are both temperature and pH dependent, and the equilibrium constant K298 (1.01), ΔH° (−14(1) kJ/mol), and ΔS° (−45(4) J/mol) for the A1 ⇌ A2 equilibrium (pH 7.0) were determined. In addition, H/D exchange results in a ∼2 cm-1 shift of CO to the red for A2 but not A1. On the basis of these results and the X-ray crystal structure of NiR, we conclude that the single band at 2050 cm-1 observed in wild-type NiR is a single, non-hydro.
Reinvestigation of crystalline sulfuric acid and oxonium hydrogensulfate

The crystal structures of H2SO4 and (H3O)(HSO4) have been refined with good accuracy (R = 0.027 and 0.033, respectively) making a discussion of hydrogen bonding now possible. In sulfuric acid the S—O and S—OH distances are 1.426 (1) and 1.537 (1) A, respectively, and the structure is characterized by layers of hydrogen-connected SO4 tetrahedra forming 44 nets. In oxonium hydrogen sulfate the HSO4− tetrahedra form infinite hydrogen-bonded chains which are linked by H3O+ ions forming double layers.
Research articles published in water resources journals: A bibliometric analysis

This study was designed to evaluate the global scientific output in the ISI subject category of “water resources” for the past 16 years. Data were based on the online version of the Science Citation Index Expanded, Web of Science, from 1993 to 2008. Articles referring to water resources were assessed for many aspects, including distributions of source countries, institutes, words in the title, author keywords, and KeyWords Plus. The h-index was also calculated in terms of the characteristics of publications. Distributions of paper titles, the author’s keywords, and KeyWords Plus at different periods were applied to evaluate research trends. The analysis showed that researchers paid most attention to groundwater and water quality parameters. Modeling and adsorption were the most popular techniques in water resources research. In addition, the relationship between the impact factor and h-index was significant for journals in the first group. The impact of the most cited articles each year were also discusse.
Carbon Storage and Flux in Urban Residential Greenspace

There is increasing concern about the predicted negative effects of the future doubling of carbon dioxide on the earth. This concern has evoked interest in the potential for urban greenspace to help reduce the levels of atmospheric carbon. This study quantifies greenspace-related carbon storage and annual carbon fluxes for urban residential landscapes. For detailed quantification, the scale of this study was limited to two residential blocks in northwest Chicago which had a significant difference in vegetation cover. Differences between the two blocks in the size of greenspace area and vegetation cover resulted in considerable differences in total carbon storage and annual carbon uptake. Total carbon storage in greenspace was about26·15 kg/m2of greenspace in study block 1, and 23·20 kg/m2of greenspace in block 2. Of the total, soil carbon accounted for approximately 78·7% in block 1 and 88·7% in block 2. Trees and shrubs in block 1 and block 2 accounted for 20·8% and 10·6%, respectively. The carbon storage in grass and other herbaceous plants was approximately 0·5–0·7% in both blocks. Total net annual carbon input to the study blocks by all the greenspace components was in the region of 0·49 kg/m2of greenspace in block 1 and 0·32 kg/m2of greenspace in block 2. The principal net carbon release from greenspaces of the two residential landscapes was from grass maintenance. Greenspace planning and management strategies were explored to minimize carbon release and maximize carbon uptake.
Digital topography with an X‐ray CCD camera for characterizing perfection in protein crystals

Digital X-ray topography using an X-ray CCD camera and conventional X-ray topography using X-ray film were used to investigate tetragonal hen egg-white lysozyme (HEWL) crystals. Previously, clear dislocation images of protein crystals were mainly obtained by film methods. Earlier studies of HEWL crystals using an X-ray CCD camera mainly revealed domain structures. In the present study, dislocation images of the same HEWL crystal have been obtained by using conventional X-ray film and a digital X-ray CCD camera. The results demonstrate that digital topography using an X-ray CCD camera is an effective method for characterizing protein crystals. A series of digital topographic images were analyzed by the method developed by Lovelace, Murphy, Pahl, Brister & Borgstahl [J. Appl. Cryst. (2006), 39, 425–432]. Sub-peaks and peak broadening originating from dislocations in local rocking curves were observed. Moreover, the crystal perfection was evaluated by mapping the angular positions of the maximums and the full widths at half-maximum of local rocking curves.