Miracle-dz/UniFAR-FTUs huggingface dataset:
Analytical strategies to confirm Scotch whisky authenticity

Analytical methods are required by trading standards and regulatory authorities to confirm the authenticity of Scotch whisky brands. The characteristics of Scotch whisky are strongly influenced by the cereals used in fermentation and by distillation, maturation and blending regimes. This leads to characteristic analytical profiles for various congeners, which can be used as reference points in authenticity analysis. Scotch whisky higher-alcohol profiles for specific brands were shown to be very consistent over many production batches and so their gas-chromatographic determination, together with the presence of other specific congeners, offered an effective approach to authenticity analysis. Pyrolysis–mass spectrometry followed by multivariate analysis of the resulting mass spectra enabled non-authentic samples to be discriminated from the authentic product. Hence, an increasingly sophisticated portfolio of analytical strategies are available in order to confirm brand authenticity.
Development of Noncontact Atomic Force Microscopy Operating at Low Temperatures

Noncontact atomic force microscopy (NC-AFM) using frequency modulation detection method has been widely used to investigate the various surfaces with atomic resolution. In this paper, we introduce the measurement technique of NC-AFM operating at low temperatures (LTs). First, we theoretically discuss the enhancement of the force sensitivity in NC-AFM operating at LTs. Then, we present the design and performance of LT-NC-AFM using fiber optic interferometer with quick sample and cantilever exchange mechanism. We also show the present status of the LT-NC-AFM imaging. In detail, we show the experimental results to investigate the influence of the surface stress around an SA step of Si(001) surface onto the buckled dimer at 5 K. We demonstrate that the LT-NC-AFM has a capability to detect the surface stress with atomic resolution.
The mechanism of anisotropic, electrochemical silicon etching in alkaline solutions

Some experimental data on the anisotropy, selectivity, and voltage dependence of anisotropic silicon etchants are given. An attempt is undertaken to provide a general unifying model describing the reaction mechanism and the key features of all alkaline anisotropic etchants of silicon. It is shown that the reaction is electrochemical, comprising the transfer of four electrons between the electrolyte and the solid for the dissolution of one silicon atom. The crystallographic anisotropy can be attributed to small differences of the binding energy of surface atoms depending on their respective surface orientations. High boron concentrations induce the shrinking of a space charge layer on the silicon surface, which in turn leads to the fast recombination of electrons injected into the conduction band making them no longer available for the reduction of water. The electrochemical etch stop at positive potentials is due to the anodic oxidation of silicon. The finite etch rate observed at etch stop potentials was found to correspond well to the etch rate of SiO/sub 2/. <<ETX>>
Glucose biosensor enhanced by nanoparticles

Glucose biosensors have been formed with glucose oxidase (GOD) immobilized in composite immobilization membrane matrix, which is composed of hydrophobic gold, or hydrophilic gold, or hydrophobic silica nanoparticles, or the combination of gold and silica nanoparticles, and polyvinyl butyral (PVB) by a sol-gel method. The experiments show that nanoparticles can significantly enhance the catalytic activity of the immobilization enzyme. The current response can be increased from tens of nanoamperometer (nA) to thousands of nanoamperometer to the same glucose concentration, and the electrodes respond very quickly, to about 1 min. The function of nanoparticles effect on immobilization enzyme has been discussed.
Tof‐SIMS studies on chlorhexidine and its reaction products with sodium hypochlorite to ascertain decomposition products

The combination of sodium hypochlorite (NaOCl) and Chlorhexidine (CHX), results in the formation of a precipitate. Previous studies have been conducted to find at which concentrations the precipitate appeared and its identity. One postulate is that when CHX breaks down that one of its products is the toxic para‐chloroaniline. Both X‐Ray photoelectron spectroscopy (XPS) and Time‐of‐Flight Secondary Ion Mass Spectrometry have been used to qualify and quantify the precipitation. A problem that exists with both techniques is that the breakdown components are likely to show similar functionalities/fragments as those in CHX. Thus the presence of the breakdown components can only be surmised. For example, CHX shows peaks at 127, 153, 170 and 195 in the positive ToF‐SIMS spectrum corresponding to various molecular fragments from the parent CHX molecule arising from the breaking of the various C to N bonds. However, the major peak for chloroaniline is also that at 127. The positive ToF‐SIMS spectrum of the precipitate (after DI‐water wash) shows these fragments as well as a peak at 111 correlating with the NaOCl concentration. However, importantly, there is no evidence of the CHX parent ion on the precipitate which is present in the mass spectrum of CHX. This suggests that the fragments shown in the precipitate mass spectrum do arise from the breakdown components. This is further confirmed by mass spectra taken of the cooled precipitate and also from immiscible liquids present in the DI‐water wash solution, which showed a large increase in the peak intensity at mass 127. Copyright © 2010 John Wiley & Sons, Ltd.
DETERMINATION OF NATURAL COMPOUNDS IN DASHMOOL EXTRACTS BY THIN LAYER CHROMATOGRAPHY AND HIGH - PRESSURE LIQUID CHROMATOGRAPHY

The determination of the natural compounds lupeol, beta sitost erol and stigmasterol in plant extracts using HPLC Shimadzu Model LC2010 A HT Auto Sampler (UV – VIS Detector) is reported. The methods were applied to the analysis of lupeol, beta sitosterol and stigmasterol in petroleum ether extract originating from Dashm ool. The result of TLC of Dashmool petroleum ether extract showed the presence of β - sitosterol, stigmasterol and lupeol in Dashmo ol plant extract at different Rf . HPLC profile of petroleum ether extract of Dashmool have characteristics peaks at retention time
Excited-state properties of a triply ortho-metalated iridium(III) complex

The characterization of the ground and luminescent excited states of a triply ortho-metalated complex of ppy, fac-Ir(ppy)/sub 3/ (ppy = 2-phenylpyridine) is effected. This complex, which is the first triply ortho-metalated ppy species to be characterized, is one of the strongest transition-metal photoreductants thus far reported. 20 references, 2 figures.
Exploring the Measurement, Reporting and Verification Needs of Developing Countries: An Interdisciplinary Qualitative Analysis / Submitted by Anne Jelmar Sietsma

As a response to the increasing threat of climate change, countries have adopted the United Nations Framework Convention on Climate Change (UNFCCC). Parties to this Convention have committed to the Measurement, Reporting and Verification (MRV) of climate changerelated data. For developing countries, MRV under the UNFCCC results in two main regular reports: National Communications (NatComs) and Biennial Update Reports (BURs). Despite the considerable effort required to produce them, these reports do not appear to be used much as a source of data. Moreover, while countries report MRV-related needs and some seem to be struggling to meet current reporting requirements, additional reporting requirements will likely be put in place under the Paris Agreement. This study examines the MRV-related needs of developing countries in two ways: first, by interviewing experts from case study countries in South-Asia; second, by computer-assisted analysis of NatComs and BURs. The findings suggest that this combination of methods may be fruitful in the future, but the exact kind of computer-assisted analysis matters; results for Term Frequency Inverse Document Frequency (TF-IDF) are especially encouraging. Substantively, we find that MRV systems are increasingly well-established in the case study countries, but that substantial needs still remain. Areas of special attention are capacitybuilding, the integration of adaptation and a broader notion of sustainable development into MRV, how the outcomes of MRV can be used to facilitate learning in a country, regional cooperation, and possible further standardisation of reporting. The availability of resources should be considered in all this areas. Recommendations for consideration under the UNFCCC process in general and for developing countries in particular are discussed, as are suggestions for further research.
An evaluation of desulfurization technologies for sulfur removal from liquid fuels

Sulfur compounds represent one of the most common impurities present in the crude oil. Sulfur in liquid fuel oil leads directly to the emission of SO2 and sulfate particulate matter (SPM) that endangers public health and community property; and reduces the life of the engine due to corrosion. Furthermore, the sulfur compounds in the exhaust gases of diesel engines can significantly impair the emission control technology designed to meet NOx and SPM emission standards. The research efforts for developing conventional hydrodesulfurization and alternative desulfurization methods such as selective adsorption, biodesulfurization, oxidation/extraction (oxidative desulfurization), etc. for removing these refractory sulfur compounds from petroleum products are on the rise. Research laboratories and refineries are spending huge amounts of money in finding a viable and feasible solution to reduce sulfur to a concentration of less than 10 mg l−1. This paper reviews the current status in detail of various desulphurization techniques being studied worldwide. It presents an overview of novel emerging technologies for ultra-deep desulfurization so as to produce ultra-low-sulfur fuels.
Space charge characteristics in cross-linking polyethylene under electrical stress from dc to power frequency

The space charge characteristics in cross-linking polyethylene (LPE) are investigated under various electrical stresses from dc to power frequency. The pulsed electro-acoustic method is improved to meet the needs of measurement under ac voltages. The frequency and phase angle dependences of the space charge are studied by means of phase-locking and frequency-converting techniques. Test results show that space charge can develop and accumulate in LPE under an ultralow frequency voltage. The critical frequency of the applied ac voltage is less than 0.02 Hz. The mechanism of the formation of space charge in LPE under an ac voltage is discussed through degassing of a sample in vacuum.
BIO44) Cloning and characterization of polyhydroxyalkanoate (PHA) genes from Pseudomonas sp. isolated from Antarctica

Introduction Pseudomonas strains accumulate mediumchain-length poly(R)-3-hydroxyalkanoate (PHA) as carbon and energy source under conditions of limiting nutrients in the presence of an excess of carbon source (Fidler et al., 1992). This bacterial storage material, mainly formed of monomers of 6 to 14 carbon atoms, has potential as a renewable and biodegradable plastic (Prieto et al., 1999). Most of the research on PHAs was done on well-known PHA-producing soil microorganisms. However, PHA-producing microorganisms from the Arctic or Antarctic regions are still unknown. Psychrophilic bacteria are bacteria normally found in temperate countries. They can survive at low temperature (below 10°C). The psychrophiles are subdivided into obligate and facultative groups. Obligate psychrophiles seldom grow above 22°C and facultative psychrophiles (psychrotrophs) grow very well above 25°C. Several genes such as phaC (PHA synthase), phaA (β-ketothiolase), phaB (NADH-acetoacetyl-CoA reductase), phaG (3-hydroxyacyl-carrier protein-coenzyme A transferase) and phaJ (enoyl-CoA hydratase) are responsible in the accumulation of PHA. An enzyme known as PHA depolymerase coded by phaZ gene will then degrade these PHA compounds (Bernd et al., 1999). The PHA biosynthesis genes are often clustered in the bacterial genome as an operon called phaCAB (Steinbuchel et al., 1992). PHA synthase enzymes can be divided into three types; Type I PHA synthases (R. eutropha) preferentially uses coenzyme A thioesters of various short chain length (3HASCL) comprising three to five carbon atoms, whereas type II PHA synthases (P. aeruginosa) preferentially utilize coenzyme A thioesters of various medium chain length with at least five carbon atoms (3HAMCL). Type III PHA synthases (C. vinosum) prefer coenzyme A thioester of 3HASCL. In this paper, we describe the isolation of a PHAproducing bacterium from Antarctica for pha Synthase gene characterization.
Mechanisms of multi-shape memory effects and associated energy release in shape memory polymers

Shape memory polymers have attracted increasing research interest due to their capability of fixing a temporary shape and associated deformation energy then releasing them later on demand. Recently, it has been reported that polymers with a broad thermomechanical transition temperature range can demonstrate a multi-shape memory effect (m-SME), where shape recovery and energy release occur in a stepped manner during free recovery. This paper investigated the underlying physical mechanisms for these observed shape memory behaviors and the associated energy storage and release by using a theoretical modeling approach. A multibranch model, which is similar to the generalized standard linear solid model of viscoelasticity, was used for a quantitative analysis. In this model, individual nonequilibrium branches represent different relaxation modes of polymer chains with different relaxation times. As the temperature was increased in a staged manner, for a given temperature, different numbers of branches (or relaxation modes) became shape memory active or inactive, leading to the observed m-SME. For energy release during free recovery, under a tensile deformation of the SMP, stored energy in individual nonequilibrium branches was first transferred into a compressive deformation energy, then gradually declined to zero. Energy release during recovery was a complicated process due to the involvement of multiple relaxation modes.
Chemistry induced by energetic ions in water ice mixed with molecular nitrogen and oxygen

Context. Several molecular species have been observed as frozen gases in cold environments such as grains in the interstellar/circumstellar medium or icy objects in the outer solar system. Because N2 and O2 are homonuclear, symmetric molecules are not easily observed. It is therefore relevant to find indirect methods to prove their presence from astronomical observations. Aims. Here we investigate one of the possible indirect methods, namely the formation of specific molecules by cosmic ion bombardment of ices in astrophysical environments that contain O2 and N2. The observation of these molecules in astronomical environments could act as a trojan horse to detect the presence of frozen molecular oxygen and/or nitrogen. Methods. We have conducted ion bombardment experiments of frozen O2 ,H 2O and their mixtures with N2 at the laboratories of CIMAP-GANIL at Caen (France) and LASp at Catania (Italy). Different ions ( 13 C 2+ ,A r 2+ and H + ) and energies (30–200 keV) have been used. Results. We have found that 13 CO2 is formed when carbon ions are implanted in ices containing H2 Oa nd/or O2. Ozone and nitrogen oxides (NO, N2O, NO2) are formed in the studied ices containing O2 and N2 with different relative abundances. Conclusions. We suggest that ozone and nitrogen oxides are present and have to be searched for in some specific environments such as dense clouds in the interstellar medium and the surfaces of Pluto, Charon and Triton. Their observation could demonstrate the presence of molecular oxygen and/or nitrogen. A possible interest for the observations of atmospheres in exo-planetary objects is also discussed.
Longiside, a Novel Digalactosylceramide from the Caribbean Sponge Agelas longissima

The Caribbean sponge Agelas longissima produces large amounts of (2S,3S,4R)-O-(β-D-galactofuranosyl)-(14)-(α-D-galactopyranosyl)-(11)-[(R)-2-hydroxytetracosylamido]-1,3,4-hexadecanetriol (longiside, 1), a glycosphingolipid with an unprecedented carbohydrate moiety containing a galactose unit in the unusual β-furanose form. The structure of longiside was determined by spectroscopic analysis and chemical degradation.
Water: How to evaluate its contribution in protein–ligand interactions

Water can be considered the most important molecule in living systems. It can play a variety of roles: (a) the solvent of most biological molecules, (b) substrate and product of enzyme catalysis, (c) a building block of macromolecules, or (d) functioning as a “lubricant” via the formation of networks linking distant residues. In particular, protein–protein, protein–nucleic acid, and protein–ligand recognition are water dependent via both enthalpic and entropic contributions. We present a computational approach based on the natural force field Hydropathic INTeractions (HINT) that incorporates atomic LogPoctanol/water data, to evaluate the strength of the interaction between water molecules and protein, as well as the contribution of water molecules bridging protein and ligand to the free energy of binding. We describe the rules for characterizing the binding/energetic roles of water molecules located at ligand binding sites. As an example, results from a set of 23 HIV-1 protease ligand complexes are described. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
TPS: A Topological Potential Scheme to Predict Influential Network Nodes for Intelligent Communication in Social Networks

The growing popularity of Online Social Networks (OSN) have prompted an increasing number of companies to promote their brands and products through social media. This paper presents a topological potential scheme for predicting influential nodes from large scale OSNs to support more intelligent brand communication. We first construct a weighted network model for the users and their relationships extracted from the brand-related content in OSNs. We quantitatively measure the individual value of the nodes from both the network structure and brand engagement aspects. Moreover, we have addressed the problem of influence decay along with information propagation in social networks and use the topological potential theory to evaluate the importance of the nodes by their individual values as well as the individual values of their surrounding nodes. The experimental results have shown that the proposed method is able to predict influential nodes in large-scale OSNs. We investigate the top-k influential nodes identified by our method in detail, which are quite different from those identified by using pure network structure or individual value. We can obtain an identification result with a higher ratio of verified users and user coverage by using our method compared to existing typical approaches.
NEGATIVE EFFECTIVE PRESSURES IN LIQUID MIXTURES

Ethanol was studied under hydrostatic pressure and in mixtures with water and with chloroform. High resolution Raman spectroscopy was used to monitor the change in vibrational frequency as a function of pressure and composition. Molecular dynamics (MD) simulations were carried out and were compared with experimental results. Results show that for mixtures the cohesive energy density (CED) acts like a real pressure. The CED of a mixture is different from the CED's of the components, and the differences result in effective pressures, negative and positive, on the components of the mixture. Other strong effects overshadow the working of this pressure in some cases. Nevertheless, it is possible to generate an effective negative pressure, which will have various applications in for example protein folding.
Measurement of the refractive index of biotissue at four laser wavelengths

Based on the principle of total internal reflection, a new experimental system , in which the sample is close sandwiched between two prisms, was designed to determine the refractive indices of biotissues and homogeneous medium. Some mammalian tissues have been determined at laser wavelengths ofO.488, 0.6328, 1.0795 and 1.3414? tm, respectively, and their dispersion equations have been obtained. And the absolute error between the n calculated from the dispersion equation and the measured is within 0.002. By utilizing these dispersion equations, the refractive indices of the tissues can be obtained at any wavelength within the waveband of O.488-1.3414? m. The method has great reliability and accuracy, and it can be used for measuring the refractive indices of biotissues and any other medium.
Field Application of an Interpretation Method of Downhole Temperature and Pressure Data for Detecting Water Entry in Horizontal/Highly Inclined Gas Wells

Field Application of an Interpretation Method of Downhole Temperature and Pressure Data for Detecting Water Entry in Horizontal/Highly Inclined Gas Wells. (December 2008) Ochi Ikoku Achinivu, B.Eng., University of Port-Harcourt Chair of Advisory Committee: Dr. Ding Zhu In the oil and gas industry today, continuous wellbore data can be obtained with high precision. This accurate and reliable downhole data acquisition is made possible by advancements in permanent monitoring systems such as downhole pressure and temperature gauges and fiber optic sensors. The monitoring instruments are increasingly incorporated as part of the intelligent completion in oil wells where they provide bottomhole temperature, pressure and sometimes volumetric flow rate along the wellbore offering the promise of revolutionary changes in the way these wells are operated. However, to fully realize the value of these intelligent completions, there is a need for a systematic data analysis process to interpret accurately and efficiently the raw data being acquired. This process will improve our understanding of the reservoir and production conditions and enable us make decisions for well control and well performance optimization. In this study, we evaluated the practical application of an interpretation model, developed in a previous research work, to field data. To achieve the objectives, we
The Destruction of Nitric Oxide by Nitrogen Atoms from Plasma Jets

Abstract The reduction of NO by N generated from a stream of N2 by a novel design of plasma jet is studied with particular reference to the energy requirement and the efficiency of the process. An analysis of the thermodynamics shows that the absolute maximum efficiency—in the absence of heat losses, recombination, etc— is about 68 per cent at a specific enthalpy of 1.2 MJ mol−1 of Na (approx. 8,500 K) giving a minimum requirement of approx. 0.9 percent of the heat of combustion released for every 1000 ppm NO to be removed from the products of combustion of a typical hydrocarbon. Similar calculations for argon/nitrogen mixtures show that, while the efficiency is always somewhat reduced, optimum values should be attainable at very much lower specific enthalpies for appreciable dilution by a monatomtc carrier gas. Experimental measurements of the proportion of NO destroyed from a stream injected at various points in the plasma flow and at various plasma velocities reveal efficiencies which are surprisingly .