Miracle-dz/UniFAR-FTUs huggingface dataset:
Human Plasma Metabolic Profiles of Coronary Heart Disease by Gas Chromatography-Mass Spectrometry with Monte Carlo Tree Approach

Metabolomics is a useful approach to explore systemic metabolic variation and to elucidate disease mechanisms. In this study, human plasma metabolic profiles of coronary heart disease (CHD) patients and healthy controls were obtained by gas chromatography-mass spectrometry (GC-MS). A relatively new pattern recognition method, the Monte Carlo tree (MCTree) approach, was used to explore metabolic differences between CHD patients and healthy controls. In this way, CHD patients with different severity of coronary atherosclerosis were classified by the corresponding metabolic profiles. Furthermore, important metabolites contributing to the classification were screened and identified by their mass spectra. Several potential biomarkers were discussed in some detail. The results demonstrated that the proposed method might be a useful tool for discovering metabolic abnormalities and potential biomarkers for diseases.
Aerosol observations at Chebogue Point during the 1993 North Atlantic Regional Experiment: Relationships among cloud condensation nuclei, size distribution, and chemistry

Observations of aerosol chemistry and microphysics were made at Chebogue Point, Nova Scotia, from August 16 to September 8, 1993 as part of the North Atlantic Regional Experiment (NARE) intensive. Most of the aerosols were classified into two groups according to the geometric mean volume diameter (Dgv) of the particles which contributed the greatest volume (sub-0.5 μm). The group-1 aerosols, representing 33% of the data, are characterized by Dgv of 0.18–0.19 μm; the group-2 aerosols, representing 50% of the data, are characterized by Dgv of 0.20–0.22 μm; and the remaining aerosols bear similarities to either groups 1 or 2 but lie outside the Dgv ranges. The differences between these aerosol groups are consistent with the addition of sulfate to the group-2 aerosols via recent processing through cloud. Factors supporting this possibility include the presence of low marine stratus upwind of the site only on days when the group-2 aerosol was observed, the higher Dgv for the group-2 aerosols consistent with the observed size threshold for activation in these clouds, and the association of non-sea-salt SO4= (nssSO4=) with larger particle sizes for the group-2 aerosols. In general, the masses of the most abundant inorganic and organic ions, nssSO4= and oxalate, were associated with the main volume of the sub-0.5-μm particles. Cloud condensation nucleus (CCN) concentrations active at 0.4% supersaturation (CCN0.4) were highly correlated with the concentrations of particles >0.01 μm and oxalate and moderately correlated with nssSO4=. Concentrations of CCN active at 0.06% supersaturation (CCN0.06) correlate very well with the concentrations of particles >0.19 μm diameter. In the case of the recently cloud-processed aerosols, for which nssSO4= is more strongly associated with particles >0.19 μm, the CCN0.06 also correlate well with nssSO4=. CCN spectra computed using the measured size distributions and aerosol chemistry agree well with the measured CCN.
Slingshot Perturbation to Learning in Monotone Games

This paper addresses the problem of learning Nash equilibria in {\it monotone games} where the gradient of the payoff functions is monotone in the strategy profile space, potentially containing additive noise. The optimistic family of learning algorithms, exemplified by optimistic Follow-the-Regularized-Leader and optimistic Mirror Descent, successfully achieves last-iterate convergence in scenarios devoid of noise, leading the dynamics to a Nash equilibrium. A recent emerging trend underscores the promise of the perturbation approach, where payoff functions are perturbed based on the distance from an anchoring, or {\it slingshot}, strategy. In response, we first establish a unified framework for learning equilibria in monotone games, accommodating both full and noisy feedback. Second, we construct the convergence rates toward an approximated equilibrium, irrespective of noise presence. Thirdly, we introduce a twist by updating the slingshot strategy, anchoring the current strategy at finite intervals. This innovation empowers us to identify the exact Nash equilibrium of the underlying game with guaranteed rates. The proposed framework is all-encompassing, integrating existing payoff-perturbed algorithms. Finally, empirical demonstrations affirm that our algorithms, grounded in this framework, exhibit significantly accelerated convergence.
Fast identification of mycobacterium species by GC analysis with trimethylsulfonium hydroxide (TMSH) for transesterification

Trimethylsulfonium hydroxide (TMSH) reproducibly converts fatty acids bound in, e.g., biomolecules such as phospholipids and/or glycerides, into the corresponding fatty acid methyl esters (FAMEs). The transesterification can be performed at room temperature in a fast single step reaction. Surprisingly, secondary alcohols and mycolic acid cleavage products (MACPs) are also released from mycobacteria under these conditions. The complex reaction mixtures containing FAMEs, MACPs, and secondary alcohols can easily be separated by high resolution temperature-programmed capillary GC. Different species of mycobacteria give rise to characteristic chromatographic patterns and the amount of lipids from a single colony of mycobacteria is sufficient for reliable identification of the bacteria. The profiles of the chromatograms match well those obtained from other sample preparation techniques. The TMSH method of identification of mycobacteria from the patterns of the gas chromatograms is faster and more sensitive than conventional methods, which also involve transesterification. The identification of mycobacterial species by microbiological culture techniques is difficult to perform and requires several weeks.
The shadowgraph of a flat flame

The structure of the shadow is described. For a shadow close to the flame the temperatures in the flame giving rise to the maximum and the minimum light intensities are calculated. In air of initial temperature 18°C they are 59 and 364°C respectively. For a shadow distant from the flame a new point of reference on the shadowgraph is suggested in the first discontinuous rise in intensity. This is correlated quantitatively with a particular position and temperature in the flame.
Theoretical study of the electronic spectrum of magnesium-porphyrin

Multiconfigurational self-consistent field (SCF) and second order perturbation methods have been used to study the electronic spectrum of magnesium-porphyrin (MgP). An extended ANO-type basis set including polarization functions on all heavy atoms has been used. Four allowed singlet states of E1u symmetry have been computed and in addition a number of forbidden transitions and a few triplet states. The results lead to a consistent interpretation of the electronic spectrum, where the Q band contains one transition, the B band two, and the N band one. The computed transition energies are consistently between 0.1 and 0.5 too low compared to the measured band maxima. The source of the discrepancy is the approximate treatment of dynamic correlation (second order perturbation theory), limitations in the basis set and the fact that all measurements have been made on substituted magnesium porphyrins.
Simulating Fluids: Testing a New Grand Canonical Histogram Method on the Square-Well Fluid

Monte Carlo methods are used to explore vapor-liquid phase transitions. However, current models are computationally expensive when identifying these phase transitions. Traditionally, Monte Carlo simulations are run across a range of temperatures at a fixed number of atoms/molecules. The Number Monte Carlo method (NMC), our proposed Monte Carlo method, runs simulations at a constant temperature across a range of atoms/molecules. In this thesis, NMC was run using a modified version of Stochastic Approximation Monte Carlo (SAMC). NMC was able to simulate the square-well fluid at a reduced volume of 100 across a range of four reduced temperatures (0.8, 0.9, 1, 1.1). The liquid-to-vapor phase transition was observed at all temperatures except the reduced temperature of 0.8. Using the NMC phase transitions, a phase diagram was constructed and compared to one built from National Institutes of Standards and Technology (NIST) data. The comparison revealed that the two phase diagrams roughly agree. The simulations demonstrate the validity of NMC as a faster method of finding a single-phase transition. However, simulations with a higher volume are needed to test the accuracy of the model. Additionally, NMC is not found to yield any improvement in constructing a phase diagram.
Lattice parameters and site occupancy factors of magnetite-maghemite core-shell nanoparticles. A critical study

The size-driven expansion and oxidation-driven contraction phenomena of nonstoichiometric magnetite–maghemite core–shell nanoparticles have been investigated by the total scattering Debye function approach. Results from a large set of samples are discussed in terms of significant effects on the sample average lattice parameter and on the possibility of deriving the sample average oxidation level from accurate, diffraction-based, cell values. Controlling subtle experimental effects affecting the measurement of diffraction angles and correcting for extra-sample scattering contributions to the pattern intensity are crucial issues for accurately estimating lattice parameters and cation vacancies. The average nanoparticle stoichiometry appears to be controlled mainly by iron depletion of octahedral sites. A simple law with a single adjustable parameter, well correlating lattice parameter, stoichiometry and size effects of all the nanoparticles present in the whole set of samples used in this study, is proposed.
SSMBS: a web server to locate sequentially separated motifs in biological sequences

The identification of sequence (amino acids or nucleotides) motifs in a particular order in biological sequences has proved to be of interest. This paper describes a computing server, SSMBS, which can locate anddisplay the occurrences of user-defined biologically important sequence motifs (a maximum of five) present in a specific order in protein and nucleotide sequences. While the server can efficiently locate motifs specified using regular expressions, it can also find occurrences of long and complex motifs. The computation is carried out by an algorithm developed using the concepts of quantifiers in regular expressions. The web server is available to users around the clock at http://dicsoft1.physics. iisc.ernet. in/ssmbs/.
Induction‐Coupled Plasma Torch

A new method of generating a stable plasma at atmospheric pressure using inductive coupling at a frequency of several Mc is described. Methods of starting and operating this plasma in argon, and mixtures of argon with helium, hydrogen, oxygen, and air are discussed. The Fowler and Milne method was used to measure the temperature profile of the plasma under various conditions of gas flow and composition, and at several power levels. Measured peak temperatures ranged from 14 000°–19 000°K. The power losses from the plasma in the form of convection, radiation, and conduction to the nozzle walls were measured under the same conditions. Total power transferred to the plasma ranged from 1.6–3.1 kw which was approximately 50% of the input power. The extent to which local thermal equilibrium prevails in the plasma is discussed; the available evidence indicates that under the operating conditions described herein, equilibrium is closely approached.
Object Detection Using Deep Learning

Today computer is one the important part in one's life almost everyone is using a computer whether that is a pc or a smart-phone. Digital technology has seen a large boom in past two decades which is resulted in an increase in the power of modern computer devices even modern smartphones are capable of performing over billion operations per second with this increase on performance, usage of these devices has also increased rapidly which is resulted in an increase in the amount of data. With this increase in power of modern pcs concepts like Deep Learning has also seen a boom with the involvement of deep learning concepts object detection in real-time become a reality using deep learning we can detect the object very quickly and with higher accuracy.
Stability Problem for Front Separation Regions Control Realized by Energy Deposition

Theoretical results for the conception of a flow-over-body control by an artificial formation of front separation regions, initiated by a localized energy deposition in the upstream flow, are presented. The instability of front separation regions for very small energy sources, that becomes apparent as spontaneous large scale vortex generation, is found. The method for the instability damping, based on the application of the pulse-periodic energy sources instead of the steady ones, is proposed. Specific conditions for pulse repetition frequencies and modulation amplitude are found.
Automatic flow system for evaluation of polystyrene-divinylbenzene sorbents applied to preconcentration of phenolic pollutants

In this work, an evaluation of commercially available polystyrene-divinylbenzene sorbents for solid-phase extraction (SPE) of eleven phenolic compounds is intended. Considering the particle size and cross-linking degree, Amberlite XAD-4 (commercial or grounded), Macronet MN-200 and Lichrolut EN were tested. The SPE protocol was performed by an automatic system, providing repeatable experimental conditions for assessment of sorbent capacity, breakthrough volume and enrichment factor (EF). A positive correlation between EF and log K ow was found for Amberlite XAD-4 while a negative correlation was observed between EF and molecular weight of analyte for Macronet MN-200 and for Lichrolut EN. This indicates a prevalence of hydrophobic interactions or molecular exclusion depending upon the polymer cross-linking degree. Despite the similar repeatability (RSD < 4.7%, n > 6) and recovery values attained (97.6–102.7%, using 50 mL of sample) for all sorbents, Lichrolut EN is the best choice for analytical application as higher EF and lower LOD values (between 18 and 207 ng) were attained for this sorbent.
A fuzzy allocation scheme for the Australian Great Soil Groups Classification system

Summary Conventional methods of soil classification are based largely on hierarchies and treat soil attribute value ranges as exactly specifiable quantities. Misclassification may result from ignoring the continuous complex nature of soil variation, and the inability to sample and measure every aspect of soil. The Australian Great Soil Groups (GSG) system of classification is essentially a fuzzy classification, and for the most part central concepts have not been defined explicitly. Centroids were generated, together with fuzzy group membership, using data from the 147 soil profile descriptions in The Handbook of Australian Soils. Some of the GSG, such as Siliceous Sands and Red and Brown Hardpan Soils, were divided into their component parts for better and easier quantification and allocation. The centroids of GSG were examined, and the method of fuzzy κ-means was then used to allocate unknown profiles to the GSG. The results show that the system is intuitively reasonable.
The screened model potential for 25 elements

Abstract The Fourier transform of the self-consistent screened model potential has been calculated for 25 elements. The results are presented in a form applicable to the potential in the solid or liquid metal or semiconductor, or to the electron-phonon interaction. They are reliable to about 0.01 ryd. The calculations are a continuation of the work by Heine and Abarenkov (1964), using the screening theory of Animalu (1965 a). The behaviour at high wave numbers and other points of detail are discussed much more thoroughly than before. Some average band effective masses are also calculated.
Surface Chemistry of Mercaptan and Growth of Pyridine Short-Chain Alkoxy Silane Molecular Layers

The use of molecular layers to modify the surface and interfaces of solid-state materials while retaining their bulk properties offers great potential. Despite the widespread interest, little work has been undertaken to characterize the growth and surface chemistry of the short-chain alkoxy silane molecular layers. Variable angle spectroscopic ellipsometry, contact angle goniometry, and X-ray photoelectron spectroscopy are used to undertake the work in the present study. Results indicate that 3-mercaptopropyltrimethoxysilane and 2-(trimethoxysilylethyl)pyridine are both unique among the short-chain alkoxy silanes and grow multilayer films in a toluene solution on hydroxylated SiO2 surfaces. In particular, the mercaptan molecular layers show evidence of a changing surface chemistry as a function of growth time. Further, added surface moisture on mercaptan molecular layers yields thicker films of a higher density with more reduced surface sulfur when subsequent growth is resumed as compared to a control sam.
ALGAE DETECTION AND SHIP'S BALLAST WATER ANALYSIS BY A MICROFLUIDIC LAB-ON-CHIP DEVICE

This article reports a microfluidic lab-on-chip device that can detect algae and analyze ship's ballast water treatment performance according to the standard set by the International Convention for the Control and Management of Ships’ Ballast Water and Sediments. A microfluidic differential resistive pulse sensor (RPS) was employed to detect, count, and size two algae of different sizes, a larger alga, Pseudokirchneriella subcapitata, and a smaller one, Chlorella vulgaris. The number rate of the algae flowing through the sensing gate per 2 min is a linear function of the sample concentration. A number rate-concentration correlation curve was experimentally obtained and verified, and can be used to determine the algae concentration simply by counting the number of peaks within several minutes. This lab-on-chip device described in this article is sensitive enough to detect the algae killing efficiency by electrolysis treatment to the ballast water. Also, this device can be easily operated by nonprofessionals and thus has great potentials in shipboard on-site testing for port state control.
The minor isomers and IR spectrum of [84]fullerene

One hundred and fifty four lines have been detected in 120 000 and 50 000 scan 13C NMR spectra of main and tail HPLC fractions, respectively, of [84]fullerene. Five minor isomers are deduced to be present (in ca. 25% and 40% overall yields in the main and tail cuts, respectively), as well as the two main isomers [D2(IV) and D2d(II), which are present in a ratio of ca. 2.25∶1]. A second D2 isomer, which calculations predict to be D2(III), is firmly established as one of the components, and the other isomers are indicated to be: D3d, D6h, Cs(IV), and either Cs(V) or C2(IV). The relative proportions of the isomers differ according to the HPLC fraction, and a partial elution order (Cosmosil Buckyprep/toluene) is D3d/Cs(IV) < D2(III)/D6h. The IR spectrum of [84]fullerene does not correlate well with theoretical predictions.
P Wave Tomography Beneath Greenland and Surrounding Regions: 1. Crust and Upper Mantle

We study the 3‐D P wave velocity (Vp) structure of the crust and upper mantle beneath Greenland and surrounding regions using the latest P wave arrival time data. The Greenland Ice Sheet Monitoring Network (GLISN), initiated in 2009, is an international project for seismic observation in these regions using 34 stations. We use a regional seismic tomography method to simultaneously invert P wave arrival times of local earthquakes and P wave relative traveltime residuals of teleseismic events. These data are extracted from the ISC‐EHB catalog; however, for the teleseismic data, we picked new arrival times from seismograms using a cross‐correlation method. Our tomographic results clearly reveal the Iceland plume, the Jan Mayen plume, and a newly discovered “Svalbard plume,” which merge together in the mantle transition zone. A high‐Vp body exists beneath the Greenland Sea, which might act as an obstacle against the rising Svalbard plume. Furthermore, our results reveal a remarkable low‐Vp anomaly elongated in the NW‐SE direction at depths ≤250 km beneath central Greenland, which is connected with the Iceland and Jan Mayen hotspots. Although previous studies have suggested a similar feature, our result is the first to show the low‐Vp zone existing at all depths in the Greenland lithosphere, and its spatial distribution coincides with a high heat flux region. These characteristics indicate that the low‐Vp zone reflects residual heat from the Iceland plume when the Greenland lithosphere passed over this plume at ~80–20 Ma. Our results also indicate the possible existence of residual heat from the Jan Mayen plume.
Metallocene Catalyzed Polymerization of Ethylene in the Presence of Graphite, 1. Synthesis and Characterization of the Composites

Polyethylene/graphite composite have been prepared by two different methods. In a first approach, the ethylene polymerization has been catalyzed by metallocene in the presence of neat graphite particles (NGC composite). A second series of composites (TGC) has been prepared by the polymerization-filling technique, which requires that the mettallocene/methylamoxane catalyst is fixed onto the graphite surface prior to the ethylene polymerization. The two series of composite exhibit significantly different morphology and thermal propreties. The filler distribution is very heterogeneous in the NGC series. The morphology changes from an intimate mixture of PE and filler filler particles at low graphite content to graphite covered by patches of PE at high filler loading. The graphite distribution is mich more homogeneous in the TGC samples, and the morphology consists of particles covered by a layer of PE in the whole composition range. Differences in the thermal properties are discussed in relation to the morphology.
Demonstration of a liquid core optical ring resonator sensor coupled with an ARROW waveguide array

The liquid core optical ring resonator (LCORR) sensor is a newly developed capillary-based ring resonator that integrates microfluidics with photonic sensing technology. The circular cross-section of the capillary forms a ring resonator that supports whispering gallery modes (WGM). The WGM evanescent field is exposed to the capillary core and detects the aqueous samples conducted by the capillary using a label-free protocol. The high-Q of the WGM allows for repetitive light-analyte interaction, resulting in excellent sensitivity. Recently a detection limit of the LCORR on the order of 10-6 refractive index units was reported. In this work, we have further integrated the LCORR with an anti-resonant reflective optical waveguide (ARROW) array for multiplexed sensor development. The ARROW, with an array of 8 waveguides separated by 250 microns each, consists of a core and a lower reflective double-layer with alternating high and low refractive index, and thus has a significant evanescent field above the waveguide. The WGM is excited at each LCORR/ARROW junction simultaneously when the LCORR is brought into contact with the ARROW array. We experimentally investigated the optimal waveguide geometry for WGM excitation using a range of waveguide heights from 2 to 5 microns. Furthermore, the LCORR/ARROW system is utilized for a biomolecule sensing demonstration. The LCORR/ARROW system is not only essential for assembling a robust, practical, and densely multiplexed sensor array, but also enables on-capillary flow analysis that has broad applications in capillary electrophoresis, chromatography, and lab-on-a-chip development.