Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis and shape modification of organo-functionalised silica nanoparticles with ordered mesostructured interiors

Organo-functionalised MCM-41 nanoparticles have been prepared by a dilution/neutralisation method involving the surfactant-templated co-condensation of 3-aminopropyltriethoxysilane, allyltriethoxysilane or 3-mercaptopropyltriethoxysilane with tetraethoxysilane under alkaline conditions. The presence of covalently coupled organic groups within the hexagonally ordered silica mesophase was confirmed by solid-state 13C and 29Si MAS NMR spectroscopy. TEM studies show that amine- and allyl-functionalised nanoparticles are single-domain oblate ellipsoidal crystals, in which the cylindrical micelles are aligned parallel to the morphological minor axis. In contrast, the thiol-functionalised nanoparticles were synthesised in the form of nanofilaments elongated specifically along the channel direction of the MCM-41 hexagonal mesostructure. A mechanism is proposed in which changes in the nanoparticle morphology are attributed predominantly to an increase in surface charge associated with the anionic mercaptopropyl groups that inhibits the side-on attachment of silica–surfactant micelles to partially ordered primary nanoclusters. In contrast, nanoparticles with neutral side chains, such as amino and allyl moieties, as well as unfunctionalised MCM-41, develop by side-on attachment to radially arranged defect sites of a modulated hexagonal mesophase associated with the oblate ellipsoidal morphology.
Dynamic evolution and fracture of multilayer field emitters in atom probe tomography: a new interpretation

Since Atom Probe Tomography reconstruction is based on ion back projection onto the emitter surface, understanding of the evolution dynamics of the tip shape is essential to get an accurate picture of the initial sample. In this article, an analytical approach is presented to dynamically describe the morphology evolution of complex multilayer structures during field evaporation. The model is mostly founded on the common continuity hypothesis, except for the classical hemispherical description of the tip apex, which is extended to a wider class of a constant mean curvature surface of revolution, the Delaunay surfaces. The results obtained from this approach are comparable with standard numerical simulations, but the analytical character of the model gives more insight into the principles driving the emitter morphology. In particular, a complete picture of curvature evolution during the transition from one layer to another is provided. Additionally, a field evaporation threshold for tip fracture in a bilayer sample is highlighted.
Growth Factors and Oncogenes in Breast Cancer

The Interpretation of Test Results Water and Sodium Potassium Chloride and Anion Gap Acid-Base and Blood Gases Mineralocorticoids Urea, Creatinine, Renal Disease Calcium, Magnesium and Phosphate Glucose, Lactate, Ketones Plasma Proteins Plasma Enzymes Liver Disease Plasma Lipids Gastrointestinal Tract Iron Porphyrins Uric Acid Catecholamines and Hypertension Tumours: Biochemical Syndromes Anterior Pituitary Hormones Thyroid hormones Cortisol Reproductive Endocrinology Paediatric Chemical Pathology Inborn Errors of Metabolism Toxicology
Novel Method for the Determination of Water Content and Higher Heating Value of Pyrolysis Oil

This research provides a novel approach for the determination of water content and higher heating value of pyrolysis oil. Pyrolysis oil from Napier grass was used in this study. Water content was determined with pH adjustment using a Karl Fischer titration unit. An equation for actual water in the oil was developed and used, and the results were compared with the traditional Karl Fischer method. The oil was found to have between 42 and 64% moisture under the same pyrolysis condition depending on the properties of the Napier grass prior to the pyrolysis. The higher heating value of the pyrolysis oil was determined using an oil-diesel mixture, and 20 to 25 wt% of the oil in the mixture gave optimum and stable results. A new model was developed for evaluation of higher heating value of dry pyrolysis oil. The dry oil has higher heating values in the range between 19 and 26 MJ/kg. The developed protocols and equations may serve as a reliable alternative means for establishing the actual water content and the higher heating value of pyrolysis oil.
Nanoparticle hybrid systems synthesis of a tailored composite model

Des colloides de silice spheriques et monodisperses sont prepares par voie sol-gel avec des diametres compris entre 30 nm et 1 μm. Leur surface est fonctionnalisee par differents silanes permettant des liaisons covalentes ou non avec les chaines d’un reseau elastomere (PMMA ou PAA), polymerises in-situ sous lampe UV. Afin de suivre la trajectoire de particules sous cisaillement, il est necessaire de les rendre fluorescentes. Les marqueurs fluorescents organiques (FITC, RITC) photoblanchissent, notre motivation pour obtenir des particules fluorescentes stables a mene a une nouvelle synthese pour l’obtention de CdSe quantum dots, a basse temperature. Cette approche permet la synthese a grande echelle et a faible cout de particules fluorescente emettant du jaune au rouge. L’incorporation de ces quantum dots evitant tout probleme de baisse de l’emission et utilisant un autre agent silane, le 3-propyltrimethoxymercapto silane est egalement decrite. L’etude in-situ et la caracterisation du nanocomposite obtenu est effectuee utilisant les instruments de tribologie, rheologie, 3-DLS et SANS. Apres preuve faite que toute agglomeration et/ou agregation est evitee dans notre procede (3-DLS, SANS), des etudes mecaniques (tribologie, rheologie) et thermiques (DSC, TGA) ont montres l’effet du ratio VNP/SS.O avec VNP, le volume d’une particule, SS, la surface specifique d’une particule et O, la fraction volumique de particules incorporees, sur le coefficient de friction et la temperature de transition vitreuse.
Evaluation of Physical and Chemical Properties of Foam‐Mat Dried Mango (Mangifera indica) Powder during Storage

Mango (Mangifera indica) pulp was foam-mat dried using 0, 3, 5, 7 and 9% egg white as foaming agent, dried at 65, 75 and 85C air temperature, pulverized into powder, packed and stored at ambient conditions and was analyzed at 0-, 2-, 4- and 6-month period for various physicochemical properties. Moisture content, total acid, nonenzymatic browning and calcium content increased and total sugars, reducing sugars, ascorbic acid, pH, total carotenes, iron, phosphorus, water soluble index and water absorption index of mango powder decreased with storage. There was no bacterial and fungal contamination observed even after 6 months of storage making the product suitable for domestic and commercial use. Practical Applications Foam-mat drying is a lucrative drying method of mango drying as it requires less drying time and the product obtained is of good quality. Drying of mango during glut season can help in making mango products such as ready to serve drinks, instant baby foods, sweets and confectionary available during the off-season. Moreover, processing of surplus mango can save the wastage during storage and transportation which otherwise poses a big problem for the farmers.
Development and Validation of a Stability-Indicating High-Performance Thin-Layer Chromatographic Method for Determination of Pyridostigmine Bromide in the Presence of Its Alkaline-Induced Degradation Product

A validated, sensitive, and highly selective stability-indicating high-performance thin-layer chromatographic (HPTLC) method has been adopted for the quantitative determination of pyridostigmine bromide in the presence of its alkaline-induced degradation product and in pharmaceutical formulations. 3-hydroxy-N-methyl pyridinium bromide (3-OH NMP) is the metabolite, impurity, and alkaline-induced degradation product of pyridostigmine bromide (PB). Pyridostigmine bromide and its alkaline-induced degradation product were separated on silica gel HPTLC F254 plates using methanol-ethyl acetate-triethyl amine-glacial acetic acid (9:1:0.5:0.05 by volume) as the developing system followed by scanning of the separated bands at 270 nm over a concentration range of 2–10 μg band−1 with mean percentage recoveries of 99.84% (SD 1.384). The proposed method was successfully applied to the analysis of pyridostigmine bromide both in bulk powder and in pharmaceutical formulation without interference from other dosage form additives. The results obtained by the proposed method were statistically compared with those obtained by the reported HPLC method with no significant difference regarding both accuracy and precision, indicating the ability of the proposed method to be reliable and suitable for routine analysis of a drug product.
NeuronMotif: Deciphering transcriptional cis-regulatory codes from deep neural networks

Discovering DNA regulatory sequence motifs and their relative positions are vital to understand the mechanisms of gene expression regulation. Such complicated motif grammars are difficult to be summarized from shallow models. Although Deep Convolutional Neural Network (DCNN) achieved great success in annotating cis-regulatory elements, few combinatorial motif grammars have been accurately interpreted due to the mixed signal in DCNN. To address this problem, we proposed NeuronMotif, a general backward decoupling algorithm, to reveal the homo-/hetero-typic motif combinations and arrangements embedded in convolutional neurons. We applied NeuronMotif on several widely-used DCNN models. Many uncovered motif grammars of deep convolutional neurons are supported by literature or ATAC-seq footprinting. We further diagnosed the sick neurons that are sensitive to adversarial noises, which can guide DCNN architecture optimization for better prediction performance and motif feature extraction. Overall, NeuronMotif enables decoding cis-regulatory codes from deep convolutional neurons and understanding DCNN from a novel perspective.
Sulfuric Acid Assisted Extraction and Fractionation of Porphyrins From Heavy Petroleum Residuals With a High Content of Vanadium and Nickel

Primary porphyrin extracts were obtained from carbon tetrarchloride solutions of different heavy oil residuals with assistance of sulfuric acid. According to data of chromatographic separation of extracts porphyrinic fractions appear in amount of 13.0–24.2%. Based on UV/visible absorption spectroscopy the presence of porphyrins of etio and phyllo types mostly with rhodo and deoxophylloerythroetioporphyrins in lower amount was established. The content of porphyrins in obtained fractions was determined at the level of 15.3–44.8% of the total weight. It was shown that a higher concentration of porphyrins in sulfuric acid extracts occurs for the case of the high vanadium and nickel content and low amounts relation of asphaltenes to resins.
Discharge comparison of nonequilibrium atmospheric pressure Ar/O2 and He/O2 plasma jets

A plasma jet has been developed that operates using rf power and produces a stable homogeneous discharge at atmospheric pressure. Discharge characteristics for the gas mixture of He/O2 and Ar/O2 were studied. The temperature distribution at the exit of the nozzle of Ar/O2 discharge is about 100 K higher than that for the He/O2 discharge—identified by an increased temperature—extends much farther downstream for Ar/O2 discharge in contrast to the He/O2 discharge—250 mm as compared to 75 mm. Optical emission spectra for both discharges in the jet effluent shows only fractions of the peak intensities of Ar, He, and O atomic lines compared with spectra taken looking obliquely inside the jet volume. The spatial profile of excited atomic oxygen at λ=777 nm (4S0 3p–3s) taken side on to the flow direction outside the nozzle shows good correlation to the temperature distribution for both discharges. These results indicate that the Ar/O2 discharge has better energy transfer efficiency than the He/O2 discharge. Study.
The genotoxity of by-products by chlorination and ozonation of the river water in the presence of bromide ions

This study focused on the evaluation of the genotoxic characteristics of chlorinated and brominated substances produced by ozonation and chlorination of the river waters containing bromide ions. The mutagenic activities of drinking waters and disinfected river waters were measured by Ames tests using S. typhimurium strains TA100 and TA98, and by chromosomal aberration test using cultured Chinese hamster lung cells (CHL/IU) in vitro. After flowing samples through CSP800 or XAD-2 resin column, absorbed substances dissolved in dimethyl sulfoxide, and submitted to the mutagenicity assays. Correlation was high between water qualities revealed by chemical analysis and mutagenic potentials. Mutagenic activities of the drinking waters produced by chlorination were observed to be higher than those by ozonation. Chlorinated waters highly increased in cells with the exchange- and chromatid-type of chromosomal aberrations compared with unchlorinated waters. The increase of mutagenic potentials was caused by by-products when bromide ions were substituted for chloride ions with various ratios.
CO2 Adsorption on H2O‐Saturated BaO(1 0 0) and Induced Barium Surface Dissociation

CO2 adsorption on a barium oxide (BaO) surface saturated with a monolayer of H2O molecules was studied; a monolayer of H2O molecules on the BaO surface exhibits nondissociative or dissociative adsorption. During the nondissociative reaction, a hydroxyl ion-terminated surface is produced, resulting in the formation of barium hydroxide (Ba(OH)2) on the surface. The Ba(OH)2 from the substrate associates with the tightly bound CO2 molecule, resulting in the formation of barium carbonate (BaCO3). In contrast, during the dissociative H2O adsorption, a hydrogen-terminated surface is produced, which strongly adsorbs CO2 molecules. The H2O molecules on a fully saturated BaO surface (containing multiple layers of H2O molecules) readily aggregate, and Ba dissociation takes place on the hydrated surface, possibly resulting in a surface containing Ba defects.
Using Treatment Residuals TO REDUCE PHOSPHORUS in agricultural runoff

Drinking water treatment residuals can be beneficially used to reduce phosphorus (P) in runoff water from manured agricultural land. The objective of this study was to determine treatment residual components responsible for P sorption and reduction of P in runoff water. Using 21 aluminum‐ (Al‐) based treatment residuals from Oklahoma utilities, chemical components related to P sorption (amorphous Al [Alox, 1.33–48.7 g/kg], iron [Fe] [Feox, 0.23–7.44 g/kg] oxides), clay (0–100%), and water‐soluble calcium (0.05–0.74 g/kg) were measured. Linearized Langmuir P sorption maxima (Pmax) ranged from 0.30 to 5.14 g/kg, and nonlinear Freundlich P distribution coefficient (KP) ranged from 17.5 to 1,085 L/kg. Addition of water treatment residuals (50 Mg/ha) to box plots treated with poultry litter (16.7 Mg/ha) reduced runoff P by from 14.0 to 84.9%. Reductions in runoff P were strongly correlated (p < 0.05) with Pmax and Alox. Performance of treatment residuals as a P sorbent to reduce runoff P from manured land can be estimated from their Pmax or Alox content.
The Synthesis of N,N‐Bis(dialkoxyphosphinoylmethyl)‐ and N,N‐Bis(diphenylphosphinoylmethyl)glycine Esters by the Microwave‐Assisted Double Kabachnik–Fields Reaction

The condensation of a glycine ester, two equivalents of paraformaldehyde, and the same quantity of a dialkyl phosphite or diphenylphosphine oxide afforded the title compounds as new bis(phospha-Mannich) products under microwave (MW) conditions at 100 degrees C. The dialkoxyphosphinoylmethyl derivatives were synthesized under solvent-free conditions, whereas the diphenylphosphinoylmethyl derivatives were synthesized in acetonitrile solution. Comparative thermal experiments showed the beneficial role of MW in respect of efficiency. (C) 2013 Wiley Periodicals, Inc.
Cr(VI) reduction by Bacillus coagulans isolated from contaminated soils

Investigation on Cr(VI) reduction was conducted using bacteria isolated from soil samples receiving electroplating wastewater. Chromium reduction capacity of these isolates was compared with that of Pseudomonas aeruginosa, a pure culture procured from the Institute of Microbial Technology, as well as Bacillus circulans, a laboratory isolate from garden soil. Bacillus coagulans, isolated and identified from chromium polluted soil, gave maximum reduction potential among all organisms studied. Malate was found to yield maximum biotransformation out of four electron donors employed. B. coagulans was able to reduce Cr(VI) even at 10 mM initial Cr(VI) concentration. With an increase in initial cell density, Cr(VI) reduction capacity was also increased; however, maximum specific biotransformation occurred at low cell densities. The optimum pH for Cr(VI) reduction was 7. Sulphates and nitrates did not compete with Cr(VI) for accepting the electrons. The presence of respiratory inhibitors like DNP and NaN3 margina.
To Unfold the Immigrant Paradox: Maltreatment Risk and Mental Health of Racial-Ethnic Minority Children

Children of immigrants are often considered to be at increased risk of mental health problems due to families' immigration-related stress and perceived discrimination and prejudice from the host country. However, many studies found them to have better developmental outcomes than children with native-born parents in the U.S. This study aims to unfold this paradoxical phenomenon using data from a population-based cohort of children born in large U.S. cities. Specifically, we investigated differences in mental health outcomes between children of immigrants and those with native-born parents, stratified by children's race-ethnicity. We also explored the mediating role of child maltreatment risk in the association of parental nativity status and race-ethnicity with children's mental health. Our findings supported the immigrant paradox, with better self-reported and parent-reported internalizing and externalizing outcomes in Hispanic and Black children of immigrants than their same race-ethnicity peers and White children of native-born. Such immigrant-native variations were partially explained by parents' physically and psychologically abusive behaviors. Hispanic and Black children with immigrant parents were less likely to be physically or psychologically abused than their peers of native-born at ages 4–5, which translated into mental health advantages of children of immigrants at age 9. Our findings shed light on future research to further clarify the mechanism underlying different parenting practices between same race-ethnicity immigrants and native-born families so that culturally responsive interventions can be developed to safeguard racial-ethnic minority children's mental health.
Smart Decoration of Mesoporous TiO2 Nanospheres with Noble Metal Alloy Nanoparticles into Core–Shell, Yolk–Core–Shell, and Surface‐Dispersion Morphologies

[a] School of Environmental Science and Engineering, KochiUniversity of Technology,185 Miyanokuchi, Tosayamada, Kami, Kochi 782-8502, JapanE-mail: wang.pengyu@kochi-tech.ac. jpkobiro.kazuya@kochi-tech.ac. jphttp://www.env.kochi-tech.ac. jp/kobiro/external/index.html[b] Center for Collaborative Research, Anan National College ofTechnology,265 Aoki Minobayashi, Anan, Tokushima 774-0017, Japan[c] Surface Physics Group, Surface Physics and Structure Unit,Advanced Key Technologies Division, National Institute forMaterials Science,1-2-1 Sengen, Tsukuba, Ibaraki, 305-0047, Japan[d] Synchrotron X-ray Station at SPring-8, National Institute forMaterials Science1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148, JapanSupporting information for this article is available on theWWW under http://dx.doi. org/10.1002/ejic.201402646.
Device-Quality β-Ga2O3 Epitaxial Films Fabricated by Ozone Molecular Beam Epitaxy

N-type Ga2O3 homoepitaxial thick films were grown on β-Ga2O3(010) substrates by ozone molecular beam epitaxy. The epitaxial growth rate was increased by more than ten times by changing from the (100) plane to the (010) plane. The carrier concentration of the epitaxial layers could be varied within the range of 1016–1019 cm-3 by changing the Sn doping concentration. Platinum Schottky barrier diodes (SBDs) on 1.4-µm-thick β-Ga2O3 homoepitaxial layers were demonstrated for the first time. The SBDs exhibited a reverse breakdown voltage of 100 V, an on-resistance of 2 mΩ cm2, and a forward voltage of 1.7 V (at 200 A/cm2).
Cubic structure of the mixed halide perovskite CH3NH3PbI3−xClx via thermal annealing

A methodology has been developed to obtain a cubic structure of the mixed halide perovskite CH3NH3PbI3−xClx that involves thermal annealing of a vacuum-deposited perovskite layer. In this process, a tetragonal–cubic transition of the mixed halide perovskite CH3NH3PbI3−xClx has been observed using a variety of characterization techniques, e.g., X-ray diffraction (XRD), scanning electron microscopy (SEM), and optical and Hall effect measurements. According to the XRD, the tetragonal structure of CH3NH3PbI3−xClx changed into the cubic phase when the temperature increased to above the transition temperature, at which point all iodine atoms move towards the central axis while PbI6 rotates around the C–N bond. After annealing, the stable cubic structure of the mixed halide perovskite CH3NH3PbI3−xClx has a smaller band gap and a better optical absorption than the original tetragonal structure. Meanwhile, the microstructure has shown an increase of grain size after annealing, which could be given the fastest mobility of 13.5 cm2 V−1 S−1, yielded from the Hall effect measurements. The potential benefits of the stable cubic structure and large grain size in the mixed halide perovskite CH3NH3PbI3−xClx are to improve the device performance of solar cells from the viewpoint of bandgap engineering and crystalline quality.
Electrospun polystyrene fibers for HIV entrapment

The high versatility and ease of electrospinning of polymer solutions have recently resulted in electrospun fibers, which are of interest for a wide variety of chemical and biomedical applications. This is partially due to the high surface area of the fibers, which is attractive for the detection and capture of (bio)chemicals. In the present work, polystyrene (PS) fibers were electrospun and coated with cationic poly(allylamine hydrochloride) (PAH) or anionic dextran sulfate sodium (DSS). The fibers were physicochemically characterized. Upon incubation in a dispersion of inactivated HIV-1, avid binding of HIV to all types of fibers occurred. By atomic force microscopy and spatial selective photobleaching, the binding of the inactivated HIV-1 particles to the fibers could be confirmed. Interestingly, all fibers, especially the DSS-coated and PAH-coated ones, resulted in a significant reduction of infection of CD4+ TZMbl cells by replication-competent HIV-1. On top, DSS-coated PS fibers were not toxic for vaginal epithelial cells, which may make these fibers of potential interest to inhibit HIV infection in the context of topical prevention. Copyright © 2014 John Wiley & Sons, Ltd.
Preparation and Characterization of Nanostructured Hydroxyapatite Using a Biomaterial

Nanostructured needle like, hydroxyapatite (HAp) samples were prepared by a simple approach using biomaterial (egg shell membrane) and characterized by Fourier transform infra-red spectroscopy (FT-IR), powder X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques. The elemental composition of one of the samples determined by EDAX showed the ratio of Ca/P as 1.425, as expected for the HAp. XRD shows the presence of hexagonal phase for all the samples prepared under various pH conditions. Crystallite size and cell parameters were calculated based on the XRD data.