Miracle-dz/UniFAR-FTUs huggingface dataset:
Mass Discrimination in the Analysis of Polydisperse Polymers by MALDI Time-of-Flight Mass Spectrometry. 1. Sample Preparation and Desorption/Ionization Issues

A study of the experimental effects on the matrix-assisted laser desorption/ionization (MALDI) time-of-flight (TOF) mass spectrometric analysis of polydisperse polymers is presented, based on a time-lag focusing TOF configuration. Polydisperse polymers were simulated with the preparation of multicomponent blends of polystyrene of narrow polydispersity. Spectral collection was based on one sample preparation procedure. It is shown that many experimental parameters give rise to mass discrimination in the signal generated from a mass spectral analysis of polydisperse polymers. Several issues related to sample preparation and desorption/ionization are addressed in this work, and the instrumental considerations such as ion focusing, transmission, and detection are presented in the following article of this issue. It is demonstrated that sample preparation and desorption/ionization can introduce serious mass biasing that appears to be due to the characteristics of the MALDI process. Experimental procedures are .
An in situ, time-resolved analyzer for aerosol organic and elemental carbon

An in situ carbon analyzer has been developed to investigate the aerosol chemistry of organic carbon. Uncertainties because of sample handling and loss of organic carbon during storage were eliminated by combining the sampling and analysis functions into a single instrument which could operate on a time cycle as short as 90 minutes. Carbon analysis was accomplished with a thermal-optical method with corrections made for the vapor adsorption artifact and for pyrolytic conversion of organic to elemental carbon during the carbon analysis. Total aerosol carbon uncertainties are 3.1% with detection limits of 0.2 μg of carbon. The in situ carbon analyzer was operated during the Carbonaceous Species Methods Comparison Study in Glendora, California, in the summer of 1986. Concentrations of total, organic, and elemental carbon showed strong diurnal variations with peaks occurring during the daylight hours. Comparison of the diurnal profile of organic carbon with those of elemental carbon, a tracer for primary comb.
Systematic studies on electronic structures of CuInSe2 and the other chalcopyrite related compounds by first principles calculations

We have systematically studied electronic structure of chalcopyrite‐type CuInSe2 and the other chalcopyrite compounds, ABX 2 (A = Cu, Ag; B = In, Ga, Al; X = Se, S). First‐principles calculations were performed within a density functional theory with the generalized gradient approximation (GGA), using a plane‐wave pseudopotential method. Valence band maximum (VBM) of CuBX 2 is an antibonding state of Cu 3d and Se 4p (S 3p), while conduction band minimum (CBM) is also an antibonding state derived from B n s and Se 4p (S 3p). Theoretical band gap increases at the order of In, Ga, Al and the values of sulfides, CuB S2 were larger than those of the corresponding selenides, CuB Se2. In present study, we found that the lowest unoccupied n s orbital of B atom in the conduction band shift up to higher energy. Therefore, the band gaps of CuB Se2 (CuB S2) increase at the order of In, Ga, Al with shifting of n s orbital for B atom. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Spontaneous Refolding of the Pore-Forming Colicin A Toxin upon Membrane Association As Studied by X-Band and W-Band High-Field Electron Paramagnetic Resonance Spectroscopy†

The pore-forming bacterial toxins of the colicin family undergo massive protein refolding, while attacking a target cell, to convert from the water-soluble conformational state to the membrane-associated state with subsequent insertion of helical hairpins into the cytoplasmic membrane. To explore the validity of proposed models for the mechanism by which the soluble channel-forming domain of colicin A turns inside out upon membrane association, five site-specific cysteine mutants of colicin A, each singly spin labeled with nitroxide side chains, were studied by 9.5 GHz (X-band) and 95 GHz (W-band) high-field EPR. By elucidating the mobility of the nitroxide side chains on one of the two hydrophobic helices and their accessibility to paramagnetic relaxer molecules in the membrane, as well as by measuring the gxx and Azz nitroxide tensor components, detailed information about conformational changes upon membrane association could be revealed. This information on the channel-forming domain of colicin A goes .
Influence of Alloy Composition and Membrane Fabrication on the Pressure Dependence of the Hydrogen Flux of Palladium−Copper Membranes

Several Pd−Cu composite membranes with different alloy compositions were made by electroless deposition on ceramic supports, and permeation rates for pure H2 and N2 were measured. The alloy composition was found to have a strong influence on the hydrogen permeance for these membranes. The effect of alloy composition on the H2 permeance was found to be in qualitative agreement with literature reports. A Pd60Cu40 composite membrane was prepared, and it was found to exhibit a permeance of 0.32 cm3 (STP)/cm2·s·cmHg1/2 at 350 °C, the highest among all of the membranes studied. Also, we present experimental data from the testing of another Pd−Cu composite membrane that showed an ideal selectivity for H2 over N2 of well over 7000 and discuss how this outcome might be related to changes in the membrane fabrication method. The influence of temperature and alloy composition on the exponential dependence (n value) of hydrogen diffusion through palladium−copper composite membranes is also discussed. Values for n osci.
The effect of pressure on the physics and chemistry of potassium

The equation of state and electronic structure of body-centered cubic potassium are investigated theoretically by the quantum-mechanical SAPW method. The results predict a series of pressure-induced electronic phase changes brought about by the sequential filling of initially unoccupied d-like electronic states. In addition to the discontinuous density changes that accompany these phase transitions, the presence of the d-like bands makes potassium extremely compressible. At pressures as low as 500 kb (0°K), the ionic radius of potassium becomes compatible with that of iron and its electronic structure becomes like that of a typical transition metal. These properties should greatly enhance the miscibility of potassium in iron or iron-sulfide melts.
Electron trapping instabilities in polycrystalline silicon thin film transistors

The stability of polycrystalline silicon thin film transistors formed at low temperatures has been studied. Charge trapping in the deposited gate oxide is observed over a wide range of conditions. At high gate biases this is due to the passage of a tunnel current, and at lower biases to direct tunnelling into the traps. Trap concentrations, cross sections and energy levels have been deduced based upon a simple trapping model, and an empirical device lifetime model is presented.
Scale transitions in the dynamic analysis of jerky flow

Jerky flow or the Portevin-Le Chatelier effect is observed in polycrystals submitted to velocity controlled unidirectional tests. Complementary statistical, multifractal and dynamical analysis have been carried out on stress vs. time series recorded during unstable plastic flow. Along with the characterization of the statistical distributions of stress drops, the paper investigates their clustering in time as well as the multifractality of their singularity spectrum. By embedding the stress time series in a higher dimensional phase space, dynamic properties such as the fractal dimension and Lyapunov exponents of the reconstructed attractor are exhibited. These methods allow to show that a self organized critical dynamics is present at a high strain rate in strongly annealed polycrystals, whereas a chaotic regime is observed in cold-rolled polycrystals at lower strain rates. Infinitely many degrees of freedom are required to account for SOC, whereas chaotic dynamics is fully captured by a limited number of variables. Therefore, a dramatic reduction in the dimensionality of the phenomenon is observed at a crossover strain rate. This result has significant implications for the multiscale modeling of the phenomenon. Models limited to a few mesoscopic modes are proved unable to account for the high strain rate behavior
Adsorption of organic cations to natural materials.

The factors that control the extent of adsorption of amphiphilic organic cations on environmental and pristine surfaces have been studied. The sorbents were kaolinite, montmorillonite, two aquifer materials, and a soil; solutions contained various concentrations of NaCl and CaCl 2 , at various pH values
Evolution of InAs quantum dots grown on cross-hatch substrates

InAs quantum dots (QDs) are grown on In0.2Ga0.8As/GaAs cross-hatch layer by molecular beam epitaxy. The self-assembled QDs form with the deposition of approximately 0.8 monolayer (ML) of InAs. The QDs distribute on the cross-hatch surface unevenly: more are found along the [1-10] crystallographic direction than the orthogonal [110] direction, while there exists even lower density of QDs on the flat areas. Height analyses indicate that QDs first form at the hatches' intersections, then they form along the [1-10] direction, the [110] direction, and on the flat areas, respectively. This orderly evolution of QDs is attributed to the characteristic strain distribution of the cross-hatch surface, giving rise to position- and orientation-dependent critical thickness for QD formation. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Assessment of 30 White Rot Basidiomycetes for Selective Lignin Degradation

Thirty wood-inhabiting basidiomycetes were screened for their ability to selectively delignify wood, The amount of lignin and carbohydrates removed and the mo hological and ultrastructural characteristics of the decayed wood were the major criteria used to determine fungi with superior lignin-degrading ability. Phellinus pini-2, Pholiota mutabilis, Phlebia brevispora-l and Phanerochaete chrysosporium were the best delignifiers of both birch and pine. Different isolates of the same species of fungi differed in both the type of decay caused and their selectivity for lignin. Almost all fungi tested caused greater weight losses in birch blocks than in pine blocks. Most fungi isolated from gymnosperms caused greater weight losses in pine than did isolates from angiosperms. The fungi studied produced two different types ofselective delignification. The first type resulted in extensive lignin removal from localized areas within wood blocks. The second type resulted in a more uniform loss throughout wood blocks, but less extensive loss from individual cell walls.
Incorporation of chiral [1-2H]cadaverines into the quinolizidine alkaloids sparteine, lupanine, and angustifoline

2 H N.m. r. Spectroscopy has been used to establish the labelling patterns in sparteine (3), lupanine (5), and angustifoline (7), derived biosynthetically from (R)-[1-2H]-(8) and (S)[1-2H]-cadaverine (9); the presence of 2H at C-17 in these three alkaloids from the former precursor (8) demonstrates that 17-oxosparteine cannot be an intermediate in quinolizidine alkaloid biosynthesis.
Modelisation thermodynamique et cinetique des reactions geochimiques dans les interactions eau-roche

Ce travail a permis de mettre au point un modele appele kindis qui en plus des lois d'evolution potentielle -thermodynamique-, integre des lois de vitesse de reaction -cinetique- pour simuler les interactions eau/roche. Les lois cinetiques introduites permettent de modeliser, en fonction du temps les interactions eau/roche en tenant compte de la vitesse de dissolution des mineraux primaires ainsi que de la vitesse de precipitation des mineraux secondaires en domaine de sursaturation jusqu'a des temperatures de 300c. Les phenomenes de dissolution ou de precipitation des mineraux sont controles soit par la reaction de surface, soit par la diffusion des especes aqueuses en solution. Le modele kindis calcule les deux lois de vitesse pour une temperature et une pression donnees. A la comparaison des deux vitesses, il choisit automatiquement la plus lente pour representer la cinetique de dissolution ou de precipitation du mineral m
Photochemistry of 3,4′-dimethoxy-7-hydroxyflavylium chloride. Photochromism and excited-state proton transfer

The synthetic compound 3,4′-dimethoxy-7-hydroxyflavylium chloride gives rise, in aqueous solution at moderately acidic pH, to a pH-dependent equilibrium between the flavylium cation, hemiacetal, (Z)-chalcone and a small amount of quinonoidal base. The distribution, as a function of pH, of the molar fractions of the several species present in solution have been calculated on the basis of 1H NMR and pH jump experiments monitored by stopped-flow and conventional UV–VIS spectrophotometry, and high-performance liquid chromatography (HPLC). The compound shows interesting photochemical properties: (i) at pH 4.0 it presents a photochromic effect that converts (Z)-chalcone into hemiacetal, the reaction being reversible in the dark and (ii) excited-state proton transfer is observed between the flavylium cation and quinonoidal base. An appropriate formalism to quantify the experimental results has been developed. The formalism allows determination of the pH-dependent molar fraction distribution of the several anthocyanin forms present at equilibrium, as well as predicting the distribution of the molar fractions prior to equilibrium.
Catching-up process and public finances of Czechia and Hungary compared with Austria and the Netherlands in 2000-2018

The subject of the paper is the analysis of economic growth and the situation of public finances in Czechia and Hungary in 2000-2018. The main research objective is to assess the effectiveness of the catching-up process, the budgetary policy and the situation in public finances in terms of the possibility to adjust economies to functioning in a common currency area and to orient budgetary policy towards stabilising economic growth while maintaining safe levels of public deficit and debt. The tools used in the analysis: deficit/ surplus and public debt in relation to GDP, GDP growth rates. In correlation analysis, the Pearson correlation coefficient was estimated. The reference countries for Czechia and Hungary are the Netherlands and Austria. The results of the analysis: Czechia and Hungary have achieved the highest GDP growth rates, Czechia and the Netherlands are the countries with the highest stability of public finances. Conclusions: (1) Czech fiscal policy was effective in terms of its capacity to adjust the economy to function in the single currency area and efficient in stabilising economic growth, (2) Hungary’s expansionary fiscal policy in 2001-2006 led to the collapse of public finances, but the plan to stabilise them was fulfilled.
Experimental Study of the Microstructure and Stress of Electroplated Gold for Microsystem Applications

Gold, used as an X-ray absorber for lithography and as a structural or conducting material in microsystems, was deposited from a commercially available sulfite electrolyte. The effects of current type and an arsenic additive on the gold microstructure and residual stress were studied. Using a simple bent strip method, good agreement with literature stress values determined via other methods was obtained. Without arsenic, residual stresses are tensile (∼50 MPa) regardless of current type. With 25 ppm arsenic, the stress is compressive for direct current (ca. -30 MPa), with pulsed current reducing the stress to <-5 MPa compressive; this has been noted previously with thallium as an additive. The addition of arsenic does not appreciably change the film grain size but does lower the twin density and modify texture. Pores were observed in all the gold films, but were larger and less concentrated for films produced with arsenic; for the case of direct current with arsenic, the pores were concentrated at the grain boundaries. Consistencies in the microstructural observations and thin film stress theories are discussed.
Rhodamine B-Coated Gold Nanoparticles as Effective “Turn-on” Fluorescent Sensors for Detection of Zinc II Ions in Water

ABSTRACT We designed a fluorescence resonance energy transfer system consisting of fluorophore Rhodamine B and gold nanoparticles for sensing of zinc ions in aqueous solution. The electrostatic attraction between positively charged N-atoms in Rhodamine molecules and negatively charged citrate corona of gold nanoparticles led to substantial fluorescence quenching. However, the quenching is switched off in the presence of zinc ions and therefore the system can be used as an effective “turn-on” fluorescence sensor. UV-Vis absorption, fluorescence spectroscopy, and transmission electron microscopy were used for sensor evaluation. The approach of “turn-on” fluorescence has real potential for sensing metallic ions in water.
Conductometric Study of Ion Association between Tris(ethylenediamine)cobalt(III) Ion and Monovalent Anions at Temperatures from 0 to 50 °C

The conductivities for aqueous solutions of the chloride, bromide, iodide, nitrate, and perchlorate of the tris(ethylendiamine)cobalt(III) complex, [Co(en3)]3+, were measured with varying temperatures from 0 to 50 °C. The ion-association constants (KA) of the complex ion with the anions had minimum values at temperatures (tmin) characteristic of the salts. The values of tmin increased in the order Cl− < Br− < I− < NO3− < ClO4−. The order in magnitude of KA at 25 °C was ClO4− < NO3− < I− < Cl− < Br−, but was somewhat dependent on the temperature. Both the KA and tmin values for the halides of [Co(en)3]3+ were larger than those of the hexaamminecobalt(III) complex, [Co(NH3)6]3+; the difference in KA was greatest for the iodide. The entropy and enthalpy changes in the ion association of [Co(en)3]3+ with the halide ions were smaller than those of [Co(NH3)6]3+. These results suggested that the hydration of [Co(en)3]3+ was relatively weak and its hydration water molecules in the vicinity of the methylene groups.
Impurity Gas Analysis of the Decomposition of Complex Hydrides

This study aims at an investigation of the impurity gases emitted during the decomposition of borohydrides. For this we have set up a quantitative gas analysis based on a combination of FTIR spectroscopy and gravimetry. We show that the emission of various intermediates, in particular diborane, depends sensitively on the reaction conditions, including gas mean free path lengths, hydrogen backpressure, and sample pretreatment. Adduct-free Mg(BH 4)2 and LiBH4 emit diborane only at the impurity level, while for LiZn2(BH4)5 diborane is the main decomposition product. The decomposition reaction of LiZn 2(BH4)5 proceeds via a collision-induced dissociation of Zn(BH4)2 in Ar at ambient pressures. Various additives were tested aiming at catalyzing the decomposition of the desorbed diborane. © 2011 American Chemical Society.
Control by social influence: durables vs. non-durables

Individual behavior such as the adoption of new products is inﬂuenced by taking account of others’ actions. We study social inﬂuence in a heterogeneous population and analyze the behavior of the dynamic processes. We distinguish between two information regimes: ( i ) agents are inﬂuenced by the adoption ratio, ( ii ) agents are inﬂuenced by the usage history. We identify the stable equilibria and long-run frequencies of the dynamics. We then show that the two processes generate qualitatively different dynamics, leaving characteristic ‘footprints’. In particular, ( ii ) favors more extreme outcomes than ( i ) . This has direct implications for the control of policy interventions.
From Droplet Growth to Film Growth on a Heterogeneous Surface: Condensation Associated with a Wettability Gradient

Condensation experiments on a cold solid substrate with a gradient of contact angle (θ) are reported. The gradient is sufficiently small so that the driving force due to the imbalance of the interfacial tensions at the contact line is negligible throughout most stages of the experiment. The condensation proceeds by forming spherical droplets near the hydrophobic side (θ ≃ 100°) and by forming quasi-films near the hydrophilic side (θ ≃ 0°). In the middle part is the crossover region, where the condensation proceeds by forming islands of nonspherical shapes. It is found that the hysteresis of contact angle due to the pinning of contact lines by surface heterogeneity plays an important role in the growth of the condensation pattern. The effects of the wettability gradient and the contact-angle hysteresis on the nucleation rate, the growth rate of islands, the dynamics of coalescence, and the growth morphology are studied and discussed. An important result is that the growth remains self-similar with the same growth law as for perfect hemispherical drops (with negligible pinning force), although the droplets exhibit complicated shapes.
Analisis Teknik Resampling Menggunakan Synthetic Minority Oversampling Technique (SMOTE) untuk Melatih Support Vector Machine (SVM)

WADUDI MUTHAHARI. Analysis of Resampling Technique by Using Sinthetic Minority Oversampling Technique to Train Support Vector Machine. Supervised by LAILAN SAHRINA HASIBUAN. A dataset with imbalanced distribution in classes may possess anomaly during model training phase in classification. Generally, the problem of imbalanced data could be tackled by two approaches, namely: algorithmic level and data level. This study analyzed the data level approach using Synthetic Minority Oversampling Technique (SMOTE) utilizing DNA data of Glycine Max [ L ]. Merr . on chromosome number 11 (Gm11) and 16 (Gm16). The classification algorithm used was Support Vector Machine (SVM). The balancing data process was focused on data which is located around the SVM hyperplane. We call the data as data kritis. The evaluation for Gm11 shows that f-measure was decrease, model which was trained using raw data has 56,86% for f-measure while model which was trained using data kritis has 49.61%. In contrast, training using data kritis improved f-measure rather than training using raw data on Gm16. The improvement is 60.34% to 62.22%. Based on the evaluation results, it is concluded that resampling technique to data kritis may improve SVM model performance.
Application of Reflectance Difference Spectroscopy (RDS) to Migration-Enhanced Epitaxy (MEE) Growth of GaAs

Differences in the reflectance of light polarized along the [110] and [11̄0] directions of the (001) GaAs surface are detected with a simple optical setup and used as an in-situ analysis and control tool for migration-enhanced epitaxial growth. The reflectance difference (RD) signals during successive surface exposures to Ga and As4 beams at various substrate temperatures are analyzed and correlated to the surface reconstruction and the fractional surface coverage, on the basis of current models of the (001) GaAs surface and nucleation of Ga–Ga dimers. A new negative component of the RD signal is tentatively attributed to Ga nucleation and accumulation along [110] terrace edges. Finally, RD periodic signal analysis during a stationary MEE growth process is used to determine the most appropriate growth conditions.