Miracle-dz/UniFAR-FTUs huggingface dataset:
P2.2.5 Detection of Boric Acid using Localized Surface Plasmon Resonance Sensor of Gold Nanoparticles

Boric acid (H3BO3) is a non-permitted preservative used in various food preparations. In this paper, a study on localized surface plasmon resonance (LSPR) of gold nanoparticles (AuNPs) toward the presence of boric acid is presented. Spherical AuNPs were grown on quartz substrate using seed mediated growth method. The detection of boric acid was done by observing the plasmonic responses of the nanoparticles in deionized water and boric acid solution. The plasmonic responses were observed to be sensitive toward the presence of boric acid. The sensing parameters are based on changing the resonance peak position and its intensity showed a linear relationship with the boric acid concentrations.
The role of S100A4 in Acute Myeloid Leukaemia

Nuclear mislocalization of proteins can interfere with normal cellular function and cooperatively drive tumour development. To understand how this process mediates AML development, the nuclear proteome of AML blasts was analyzed in comparison with normal human CD34+ cells to identify misregulated nuclear proteins. This study identified that S100A4 as the most significant and fold changing protein in AML blasts which has not been previously associated with AML. S100A4 belongs to the S100 multigene family of calcium-binding proteins of the EF-hand type and has been implicated in tumour progression and metastasis in many solid tumours but little is known of its role in haematological malignancy. Using western blotting, S100A4 protein expression was observed in the nucleus of AML blasts FAB M1 (83%; 24/33) and 44% FAB M4 (4/9) whilst normal CD34+ or CD14+ differentiated monocytic controls have shown only cytosolic expression of S100A4. An independent dataset (TCGA) supports the overexpression of S100A4 mRNA in AML and suggests that overexpression may confer a poor prognosis (p=0.0118). To determine whether ectopic expression of nuclear S100A4 can affect the growth and survival of normal hematopoietic cells, CD34+ cells were infected with lentiviral vectors expressing nuclear-targeted S100A4. Overexpression of nuclear S100A4 could not be demonstrated in transduced CD34+ cells or in normal differentiated cells (probably due to rapid degradation of ectopically expressed S100A4 in these cells). To examine functional significance of S100A4 expression on normal and leukaemic cells, S100A4 expression was knocked down. In CD34+ cells, no significant effects were observed on the growth or lineage development of these cells suggesting S100A4 is not required for normal hematopoiesis. Conversely, knocking down S100A4 expression in AML lines (NOMO-1, TF-1, THP-1, and OCIAML2) showed significant reduction in growth and induced cell death through apoptosis suggesting that AML cells are dependent on S100A4 for their growth and survival. Further, to identify the binding partners of S100A4 through which mediates its functions, a co immunoprecipitation coupled with LC/MS was performed on cytoplasmic and nuclear extract of AML cell line (ME-1) under Ca2+ enriched conditions. Heterogeneous nuclear Ribonucleoprotein M (hnRNPM) was identified as novel binding partner of S100A4 AML. These findings suggest that therapeutically targeting S100A4 would be an effective strategy in AML while sparing normal hematopoietic cells.
Intermixing in Cu/Co: Molecular Dynamics Simulations and Auger Electron Spectroscopy Depth Profiling

The ion-bombardment induced evolution of intermixing is studied by molecular dynamics simulations and by Auger electron spectroscopy depth profiling analysis (AESD) in Cu/Co multilayer. It has been shown that from AESD we can derive the low-energy mixing rate and which can be compared with the simulated values obtained by molecular dynamics (MD) simulations. The overall agreement is reasonably good hence MD can hopefuly be used to estimate the rate of intermixing in various interface systems.
Chitosan Gels: A Novel Molecular Aggregation of Chitosan in Acidic Solutions on a Facile Acylation

cetesopilio. Chitosan, [ƒ¿]15D-3.1•‹(c=1.3, 50 % formic acid) (100 mg) was dissolved in an aqueous solution of carboxylic acid, and the corresponding carboxylic anhydride was added as shown in Table I. The amounts of car boxylic anhydride and water are important for the gel formation. The excess carboxylic anhydride is consumed not only for the acyla tion of amino groups and a part of hydroxyl groups in chitosan but also for the reaction with water. The mixture was kept at room temperature overnight to afford the corre sponding gel rigidly solified in the whole solution of flask. The gel was sliced up with a knife and dialyzed or suspended in a large volume (' 1 liter) of distilled water at room temperature for 3 days. The gel free of carboxylic acid was isolated; yield, 60-63 g as hydrate gel; 105 110 mg as dried amor phous product. The gel is colorless, transparent and rigid, and it shows no smell of carboxylic acid and almost no taste. The gel is soluble only in formic acid but insoluble in 50% formic acid, acetic acid, 10% acetic acid, alkaline solutions, water, methanol, ethanol and acetone. The solidified gel is stable to heat. It does not melt by heating at up to 100°C, and a dehydration reaction occurs without melting at higher temperatures over 100°C. The chemical structure of the gel was proven
Facile One-Pot Synthesis of PABA from MFB

A facile one-pot synthesis of p-aminobenzoic acid from methyl 4-formylbenzoate which is a main by product in dimethyl ter- ephthalate production process has been developed. This process involves the formation of amide intermediate obtained from the reaction of an aldehyde in methyl 4-formylbenzoate with chlorine in methylene chloride and the subsequent treatment of acid chloride with ammonia. The resulting amide was converted into amine using Hofmann degradation to afford a p-amino- benzoic acid. This facile one-pot process does not involve any expensive materials and should offer an attractive alternative to p-aminobenzoic acid production.
Advances in solid phase extraction of the cyanobacterial toxin cylindrospermopsin

Unlike other cyanotoxins, cylindrospermopsin (CYN) is often found in high concentrations in the extracellular fraction, possibly due to a higher release from the producing cells and a limited degradation once liberated. This fact demands effective recovery methods from environmental samples to guarantee a proper quantification. A reliable and simple solid phase extraction (SPE) method was obtained by the sole use of graphitized carbon cartridges and by paying special attention to both the selection of the most suitable solvent and the need of sample preparation prior to SPE. An acidified combination of dichloromethane and methanol not only showed best recoveries, but also allowed drastic reduction to the elution volumes needed with complete recovery being achieved in only 8 mL. Acidification of the sample and addition of sodium chloride are suggested as valuable improvements to the SPE method and turn out to be essential for correct and robust recovery of CYN in environmental samples of great diversity in terms of pH, DOC, and conductivity. Excellent behavior of the proposed method over a wide range of CYN loadings, applied sample volumes, and DOC loadings was also confirmed.
Prediction of the Condensed Phase Enthalpy of Formation of Nitroaromatic Compounds Using the Estimated Gas Phase Enthalpies of Formation by the PM3 and B3LYP Methods

Abstract: A new method is introduced to correlate the condensed phase enthalpies of formation of nitroaromatic compounds with their gas phase enthalpies of formation on the basis of the B3LYP/6-31G* and PM3 methods. For the B3LYP method, the condensed phase enthalpy of formation depends on the number of certain elements, nitro groups and aromatic rings. For the PM3 method the number of N=N or N≡N groups, and the presence or absence of three interconnected rings, in addition to some of the parameters mentioned above, are necessary in order to obtain a reliable correlation. For 72 nitroaromatic compounds, the calculated root mean square (rms) deviations of the condensed phase enthalpies of formation of nitroaromatic compounds using the B3LYP and PM3 methods are 63.63 and 32.17 kJ/mol, respectively. The results predicted on the basis of the PM3 method are compared with the best available experimental data.
Electrochemical/Electrospray-Mass Spectrometric Studies of the Oxidation of Iodide and Cyanide at Gold and Platinum Electrodes as well as Gas Phase Multiply-Charged Fullerene C60 Anions.

In this chapter, we introduce a new spherical thin layer flow cell with a relatively small volume, experimental conditions suitable for electrochemistry electrospray mass spectrometry using the cell are also described. The flow pattern through the cell is estimated by calculating the Reynolds (Re) number. The cell is characterized by easy access to the working electrode for cleaning and a high electrochemical conversion efficiency. The performance of the spherical thin-layer flow cell is demonstrated in this chapter by off-line electrochemistry.
Synthesis of Gold-Platinum Nanomaterials Using Bromide Anion Exchange-Synergistic Electroactivity toward CO and Glucose Oxidation

Bromide anion exchange, a method that consists of the introduction of KBr before the reduction of precursor salts by sodium borohydride, has enabled the synthesis of AuPt nanoparticles. Physicochemical techniques have been used to analyze these carbon Vulcan-modified catalytic powders that exhibit face-centered cubic structures. The powders of the bimetallic materials were mainly composed of solid solutions. These materials were utilized in the preparation of electrocatalysts toward the oxidation of carbon monoxide and glucose. In situ reflectance infrared spectroscopy measurements demonstrated that AuPt anodes were more active than Pt in the removal of adsorbed CO at ca. 0.2 V vs. RHE and for the dehydrogenation of glucose to gluconate. (C) 2012 The Electrochemical Society
Carbonic Acid Stability in Solar System Ices

Carbonic acid (H2CO3) is a major product of energetically processed ices containing H2O and CO2. It is thermally stable at 200 K, higher than the sublimation temperature of H2O. Ices containing both H2O and CO2 have been found on a variety of surfaces such as those of Europa, Callisto, Iapetus, and Mars, where processing by magnetospheric ions or the solar wind may lead to the formation of H2CO3. A tentative detection was made by Johnson et al. [1], who compared the infrared geometric albedo spectrum of Callisto with laboratory carbonic acid spectra. We have investigated spectral properties and the stability of carbonic acid at different temperatures upon irradiation with 0.8 MeV protons. The energy deposited into the ice by the incident proton beam not only destroys H2CO3, but also amorphizes the crystalline phase of the solid. The radiation destruction and amorphization processes will be discussed along with an estimate for the expected lifetimes of H2CO3 on surfaces in the outer solar system.
Hydrothermal Synthesis, Crystal Structure, and Properties of one Three-Dimensional Heteropolytungstate Framework Formed by Lacunary Keggin Cluster Unit

A novel three-dimensional (3D) organic-inorganic hybrid compound, [Cu(en)2][(Cu(en)2)2PNaW11O39]· 0.5H2O (1) (en = ethylenediamine), has been synthesized based on the lacunary Keggin polyoxometalates (POMs) with one sodium cation embedded into its vacancy and simultaneously modified by [Cu(en)2]2 + complex cations under hydrothermal condition. The compound 1 was characterized by single crystal X-ray diffraction analysis, IR, UV and TG. It is interesting that 1D chains in compound 1, which are constructed by sodium cations linking the anion units, are connected by [Cu(en)2]2 + complex cations to form 3D framework. The electrochemical behavior and ferromagnetic property of compound 1 have been studied in detail.
Concentration-modulation FT emission spectroscopy of TiCl_4/He plasma. Analysis of the C ^4\Delta- X ^4 \Phi \Delta v=0 perturbed transitions of TiCl

A TiCl_4/He plasma is observed by high resolution double-modulation FTS using concentration-modulation as a selective detection method. Analysis of the C ^4\Delta- X ^4 \Phi \Delta v=0 transitions of ^48Ti^35Cl reveals perturbations affecting the C ^4\Delta_{1/2} sub-state.
Defects in Phosphorene

Defects are inevitably present in materials and always can affect their properties. Here we perform first-principles calculations to systematically investigate the stability and electronic structures of 10 kinds of point defects in 2D semiconducting phosphorene, including the Stone–Wales (SW-1 and SW-2) defect, and single (SV-(5|9) and SV-(55|66)) and double (DV-(5|8|5)-1, DV-(5|8|5)-2, DV-(555|777)-1, DV-(555|777)-2, DV-(555|777)-3, and DV-(4|10|4)) vacancy defects. We find that these defects are all created quite easily in phosphorene with higher areal density compared with graphene and silicene. Most of them are easy to distinguish from each other and correlate with their defective atomic structures with simulated scanning tunneling microscopy images at positive bias. The SW, DV-(5|8|5)-1, DV-(555|777), and DV-(4|10|4) defects have little effect on phosphorene’s electronic properties, and defective phosphorene monolayers still show semiconducting with similar band gap values to perfect phosphorene. The.
Method Development for Quantitative Analysis of Actinides in Molten Salts

This paper describes how electrochemical techniques have been used to develop a method for high-precision, real-time quantitative measurements of the concentration of actinides, present in in molten salts as actinide chlorides, for pyrochemical process monitoring applications. Possible reasons for discrepancies between reported measurements obtained with electrochemical techniques have been investigated and a combination of methods to improve their precision has been established. The combination of methods consists of selecting a suitable electroanalytical measurement technique, experimentally verifying assumptions used in its theoretical analysis, ensuring reproducible conditions at the electrode/electrolyte interface, and using an improved method to eliminate the need to know the electrode surface area. By following the developed procedures and reﬁning both experimental techniques and data analysis methods, precise and reproducible measurements were obtained for U and Pu in LiCl/KCl eutectic at 773 K. Preliminary results showed that cyclic voltammetry, along with a method of standard area addition, are very promising tools for in situ quantitative measurements with a degree of precision comparable to destructive analysis techniques. work
Characterizing dissolved organic matter fluorescence with parallel factor analysis: a tutorial

A sub‐fraction of dissolved organic matter fluoresces when excited with ultraviolet light. This property is used to quantify and characterize changes in dissolved organic matter (DOM) in aquatic environments. Detailed mapping of the fluorescence properties of DOM produces excitation emission matrices (EEM), which are well suited to multi‐way data analysis techniques (chemometrics). Techniques such as parallel factor analysis (PARAFAC) are increasingly being applied to characterize DOM fluorescence properties. Here, an introduction to the technique and description of the advantages and pitfalls of its application to DOM fluorescence is presented. Additionally a MATLAB based tutorial and toolbox specific to PARAFAC analysis of DOM fluorescence is presented.
Identification and characterization of chitin binding peptide from phage display combinatorial library

THAI). I ABSTRACT (ENGLISH). III ACKNOWLEDGEMENTS.V TABLE OF CONTENTS.VII LIST OF TABLES.XII LIST OF FIGURES.XIII LIST OF ABBREVIATIONS.XV
New micellar morphologies from amphiphilic block copolymers: disks, toroids and bicontinuous micelles

Amphiphilic AB and ABA block copolymers have been demonstrated to form a variety of self-assembled aggregate structures in dilute solutions where the solvent preferentially solvates one of the blocks. The most common structures formed by these amphiphilic macromolecules are spherical micelles, cylindrical micelles and vesicles (polymersomes). Interest into the characterisation and controlled formation of block copolymer aggregates has been spurred on by their potential as surfactants, nano- to micro-sized carriers for active compounds, for the controlled release of encapsulated compounds and for inorganic materials templating, amongst numerous other proposed applications. Research in the past decade has focussed not only on manipulating the properties of aggregates through control of both the chemistry of the constituent polymer blocks but also the external and internal morphology of the aggregates. This review article will present an overview of recent approaches to controlling the self-assembly of amphiphilic block copolymers with a view to obtaining novel micellar morphologies. Whilst the article touches upon multi-compartment micelles particular focus is placed upon control of the overall shape of micelles; i.e. those systems that expand the range of accessible morphologies beyond ‘simple’ spherical and cylindrical micelles namely disk-like, toroidal and bicontinuous micelles.
Advances and Analysis on Reducing Webpage Response Time with Effect of Edge Computing

—Modern webpages consist of many rich objects dynamically produced by servers and client terminals at diverse locations, so we face an increase in web response time. To reduce the time, edge computing, in which dynamic objects are generated and delivered from edge nodes, is effective. For ISPs and CDN providers, it is desirable to estimate the effect of reducing the web response time when introducing edge computing. Therefore, in this paper, we derive a simple formula that estimates the lower bound of the reduction of the response time by modeling flows obtaining objects of webpages. We investigate the effect of edge computing in each webpage category, e.g., News and Sports, using data measured by browsing about 1,000 popular webpages from 12 locations in the world on PlanetLab.
Performance and Applications of the first HVE 5MV Tandetron™ at the University of Madrid

The first HVE Tandetron™ with a nominal terminal voltage of 5 MV has been put into operation at the Universidad Autonoma de Madrid (Spain) as part of their new IBA facility. The accelerator features a coaxial structure in which the all‐solid‐state power supply is constructed around the high‐energy acceleration tube, thereby avoiding the T‐shaped tank that has characterized the HVE Tandetrons™ so far. The new IBA facility covers a number of different ion beam analysis techniques including ERD using heavy‐element time‐of‐flight, RBS, as well as an external micro‐beam for PIXE. During installation, tests have shown a stable terminal voltage of 5.5 MV. The terminal voltage ripple was deduced to be below 6 × 10−6 (RMS) for terminal voltages above 800 kV. Terminal voltage undershoot was measured to be 1.4 × 10−3 for a ∼1 kW beam at 3 MV and recovered to 1 × 10−4 within 800 ms. IBA experiments that require low energy hydrogen beams are supported by a stable terminal voltage down to 100 kV.
Preparation and Characterization of CTAB-Coated Fe3O4 Nanoparticles

The synthesis of magnetic nanoparticles (Fe3O4) and their coating with cetyltrimethyl ammonium bromide (CTAB) has been reported in this study. The synthetic iron oxide nanoparticles were characterized using FTIR, streaming current potential (SCP) and X-ray diffraction techniques. Particle size distribution of bare and coated nanoparticles was investigated by dynamic light scattering (DLS) technique and transmission electron microscopy (TEM). The results obtained revealed that the CTAB modification effectively decreased the particle size and enhanced the dispersion of the particles in solution. In addition, simple separation by using a magnetic field was achieved because CTAB did not alter the superparamagnetic properties of particles.
Something in the Air

The analysis of aerosol particles in Earth9s atmosphere is highly challenging, because the particle concentrations are low, the particles small, and their compositions highly complex. Yet knowledge of their properties is crucial for understanding how they influence climate and human health. In his Perspective, Murphy discusses recent advances in developing instruments that analyze these particles directly from the air. Such i? ½on-linei? ½ techniques have shed light on the complex chemical composition of the particles and have contributed to the recognition that organic compounds play a globally important role in atmospheric aerosols.
Spin Dependent Transport through a Carbon Nanotube Quantum Dot in the Kondo Regime

Carbon nanotubes (CNTs) are thin, hollow cylinders, which can be envisioned as being rolled up from graphene a two-dimensional honeycomb lattice with a carbon atom in each site. Multiwall carbon nanotubes were discovered by Japanese scientist Sumio Iijima in 1991 (Iijima, 1991) and, two years later, individual single wall carbon nanotubes (SWCNTs) were reported (Iijima & Ichihashi, 1993). Their diameter is as little as 1 nanometer. Carbon nanotubes provide the ultimate limit formicroelectronicminiaturization. Soon after discovery carbon nanotubes attracted tremendous interest from fundamental science and technological perspectives and thousands of papers have been published on this subject (for a review see e.g. (Dresselhaus et al., 2001)). Amazing aremechanical properties of CNTs e.g. their high strength and high flexibility. Since the C-C bonds within CNTs are one of the strongest bonds in the nature these tubes are predicted to be by far the strongest fibres that can be made. SWCNT was tested to have tensile strength of order of 60 GPa (Wei, 2003). Nanotubes exhibit also exceptional electrical properties, some of them will be discussed in this chapter. The unique electrical properties of CNTs stem fromunusual electronic properties of graphene (Novoselov, 2005; Wallace, 1947). The sp2 hybridization between one s-orbital and two p-orbitals leads to a trigonal planar structure with a formation of a σ-bond between carbon atoms what is responsible for robustness of the lattice in all carbon allotropes. The unaffected p-orbital, which is perpendicular to the planar structure binds covalently with neighboring carbon atoms leading to the formation of half filled π-bands. The low energy band structure of graphene has two bands that join at the corners of the Brillouin zone (two distinct Fermi points at K and K′, called Dirac points (Fig. 1a)). The name of these points reflects the fact that the energy bands disperse linearly away from the touching points, so the dispersion relation for electrons (holes) is described by an isotropic cone that opens upward (downward) near K, K′ points (massless fermions). Graphene is a gapless semiconductor. This is changed when rolling up a piece of graphene to form a carbon nanotube. From the bandstructure of graphene one can obtain the bandstructure of nanotube by imposing appropriate boundary conditions along the circumference. Quantization of momentum in the circumferential direction is given by condition πd · k⊥ = 2πi (i = 1, 2.). Spacing in k⊥ is thus Δk⊥ = 2/d, where d is the diameter of the tube. The quantization cuts discrete slices of two-dimensional Dirac dispersion of graphene. Each line corresponds to a 1D subband for conduction along the nanotube (Fig. 1b, c). Depending on the way graphene is rolled up, carbon nanotube can be either metallic or semiconducting. The former occurs if a slice happens to pass through 13