Miracle-dz/UniFAR-FTUs huggingface dataset:
Production of γ-valerolactone via selective catalytic conversion of hemicellulose in pubescens without addition of external hydrogen

γ-Valerolactone (GVL) is an important chemical, whereas its synthesis directly from raw biomass is challenging because of its complex structure. A three-step method was developed for the selective conversion of hemicellulose in pubescens to GVL without addition of external hydrogen in the present work. We achieved a high yield of 20.0 wt% GVL based on the weight of pubescens with a high selectivity of 90.5% based on the amount of carbohydrates converted. The Pt/C catalyst was prepared by an impregnation method and characterized by XRD, TEM, XPS, Boehm titration and H2 chemisorption. It was indicated that platinum existed in the form of metal Pt0 and the GVL yield was improved on Pt/C catalytic reduction with H2. Our work also suggested that the platinum species interacted with the carboxylic and lactonic groups of activated carbon, and the Pt (220) surface might exhibit high activity for the conversion of LA and FA to GVL (TON = 1229.4). Particularly, the Pt/C catalyst was effective for the in situ generation of hydrogen by high selective decomposition of FA, and for the conversion of an aqueous mixture of monomers and oligomers derived from pubescens to GVL without separation of AlCl3, the catalyst for the dissolution of hemicellulose in the first step. The cross-enhancement of different kinds of reactions in the system was significant, which showed evidence of synergetic effects for the selective production of GVL from multiple reactions.
Family-managed firms, External Source of Knowledge and Innovation: An Exploration of the Manufacturing Industry in Spain

Innovation is generally regarded as a highly interactive activity, where firms absorb, generate and apply knowledge by relying on both internal and external sources. We hypothesize that because of firm familiness specificities, family firms create a positive environment for R&D cooperation increasing the probability to have process and product innovations. On the other hand, based on regional familiness arguments we hypothesize that firms, in general, increase their probability to have process or product innovation as result of being placed in context where family firms act as catalyst of knowledge and information at local, industrial and regional level. We use a large panel dataset of Spanish manufacturing firms covering the period 20002015. Our results reveal that the probability of engage in both product and process innovations is higher for family-managed firms involved in technological collaboration. Hence, does emerge a particular ability of family firms to leverage external source of knowledge at the foundation of higher innovation propensity. Additionally, our findings provide support for the so called “regional familiness” arguments. In fact, our estimations show the higher family firm density spending in R&D in a particular region, is associated with greater product and process innovation propensity for firms located in that region.
Stereoselective Hydrolase‐Catalyzed Processes in Continuous‐Flow Mode

This chapter demonstrates with a wide range of examples the high potential of continuous-flow techniques for stereoselective biotransformations catalyzed by enzymes, especially hydrolases. Benefits of the various reactor setups are discussed, for example, the continuous flow packed bed reactors can enhance the productivity of enzyme-catalyzed processes or miniaturized continuous flow systems allow fast high-throughput screenings. Continuous flow microreactor systems enabled integration of enzyme-catalysis with chemical steps (e.g., in dynamic kinetic resolutions) or with continuous extraction or performing multienzyme-catalyzed multistep biotransformations. Thus, the potential of continuous-flow microreactor systems with immobilized biocatalysts is demonstrated as process development tool for stereoselective biotransformations.
Semicorrin Metal Complexes as Enantioselective Catalysts. Part 1. Synthesis of chiral semicorrin ligands and general concepts

An efficient synthesis of chiral semicorrin ligands is described (see 6–9, Schemes 2 and 3). Both enantiomers are readily obtained in enantiomerically pure form starting either from D-or L-pyroglutamic acid (1). Semicorrins of this type possess several features that make them attractive ligands for enantioselective control of metal-catalyzed reactions. Their structure is characterized by C2 symmetry, a conformationally rigid ligand system, and two stereogenic centers adjacent to the coordination sphere. In a metal complex, the two substituents at the stereogenic centers shield the metal atom from two opposite directions and, therefore, are expected to have a pronounced effect on the stereochemical course of a reaction occurring in the coordination sphere. The structure of these two substituents can be easily modified in a variety of ways. A series of (semicorrinato)copper(II) complexes (see 10–14, Scheme 4) has been prepared, and in one case (14), the three-dimensional structure has been determined by X-ray analysis (Fig. 1).
A novel chiral coordination polymer with a two-dimensional undulated (6,4)-network: [Co4(2,2'-bipy)4(H2O)2(btec)2]n (btec = 1,2,4,5-benzenetetracarboxylate)

The novel coordination polymer [Co4(2,2′-bipy)4(H2O)2(btec)2]n (btec = 1,2,4,5-benzenetetracarboxylate), 1, has been hydrothermally synthesized. X-Ray diffraction experiments reveal that 1 exhibits an interesting two-dimensional (2D) chiral undulated (6,4)-network, which represents the first example of a 2D chiral coordination polymer containing two kinds of organic ligands. The value of the Flack parameter, x = 0.52(2), shows that the crystal of 1 is an inversion twin containing approximately 50% of the right-handed and 50% of the left-handed crystal structure and the whole compound is a racemate. Variable temperature magnetic susceptibility indicates that antiferromagnetic interactions exist between metallic Co(II) centers in 1.
Absence of Limitations on the Framework Density and Pore Size of High-Silica Zeolites

Through atomistic optimizations of recently enumerated hypothetical frameworks, we demonstrate that in contrast with the experimental observation by Brunner and Meier (Brunner, G. O.; Meier, W. M. Nature 1989, 337, 146), there is theoretically no evidence for any topological, geometric, or energetic constraint on framework density and pore size in siliceous zeolites. More specifically, we show that there are numerous very low-density and/or very large-pore siliceous materials with comparable energetics to currently synthesized materials. The experimentally observed limitations thus seem instead to stem from a far from complete experimental exploration of the siliceous zeolite structural landscape and might be related to the lack of suitably large and rigid template molecules to fill the enormous void volume. Self-assembly of organic molecules to form nanosized templates might therefore hold the key to low density and/or extra-large-pore frameworks.
A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion

Nanoporous crystals of discrete stacks of metallo-porphyrins together with exogenous metal centers have been obtained by synergistic non-covalent interactions of tetra-cationic copper(II)-meso-tetrakis(4-N-methylpyridyl)porphyrin and polyanionic tetrasulfonato-tetrakis(hydroxylcarbonylmethoxy)calix[4]arene building blocks successively functionalized by diffusion and coordination of Zn2+ or Ni2+ ions.
A Theoretical ab Initio Study on Functionalized Single‐walled Carbon Nanotubes as a Molecular Absorbent

We present our ab Initio the calculations on carbon nanotubes functionalized with OH substitution at the two ends of single‐walled carbon nanotubes. The purpose of this report is to investigate the effect of change in diameter of the nanotubes on the atomic charge, Nucleus Independent Chemical Shifts as well as structural and thermodynamic properties. The results were obtained by ab Initio Hatree–Fock level calculations for armchair (3, 3), (4, 4), (5, 5), (6, 6) and (7, 7) single‐walled carbon nanotubes at four layers of each carbon nanotube. Based on the obtained results, it is shown that radial deformations induce fundamental changes on the electronic and magnetic properties of single‐walled carbon nanotubes, allowing functionalization of tube surface to absorbed chemical gases.
Linear and non-linear fluorescence imaging of neuronal activity

Linear and non-linear fluorescence imaging of neuronal activity Jonathan A. N. Fisher Arjun G. Yodh Version : July 15, 2007 Optical imaging of neuronal activity offers new possibilities for understanding brain physiology. The predominant methods in neuroscience for measuring electrical activity require electrodes inserted into the tissue. Such methods, however, provide limited spatial information and are invasive. Optical methods are less physically invasive and offer the possibility for simultaneously imaging the activity of many neurons. In this thesis oneand two-photon fluorescence microscopy techniques were applied to several in vivo and in vitro mammalian preparations. Using one-photon absorption fluorescence microscopy and gradient index (GRIN) lens optics, cortical electrical activity in response to electric stimulation was resolved in threedimensions at high-speed in the primary somatosensory cortex of the mouse in vivo using voltage-sensitive dyes. Imaging at depths up to 150 μm below the cortex surface, it was possible to resolve depth-dependent patterns of neuronal activity in response to cortical and thalamic electric stimulation. The patterns of activity were consistent with known xi cortical cellular architecture. In a qualitatively different set of experiments, one-photon fluorescence microscopy via voltage-sensitive dyes was successfully employed to image an in vitro preparation of the perfused rat brainstem during the process of respiratory rhythmogenesis. Imaging results yielded insights into the spatial organization of the central respiratory rhythm generation region in the ventrolateral medulla. A multifocal two-photon scanning microscope was constructed, and design and operation principles are described. Utilizing the novel device, anatomical and functional two-photon imaging via potentiometric dyes and calcium dyes is described, and the results of in vivo versus in vitro imaging are compared. Anatomical imaging results used either functional probe background fluorescence or green fluorescent protein (GFP) expression. Spectroscopic experiments measuring the two-photon absorption (TPA) cross sections, Σ2 of various fluorophores are described as well. Utilizing single-beam two-photon microscopy, action potentials were recorded optically from individual (∼1 μm) nerve terminals of the intact mouse neurohypophysis, in a single sweep. Single-trial recordings of action potentials exhibited signal-to-noise ratios ∼5 and fractional fluorescence changes of up to ∼10%. These results represent the first single-trial optical recording of action potentials from individual nerve terminals in an intact mammalian preparation using 180 ◦ detection, and may serve as an alternative to invasive electrode arrays for studying neuronal systems in vivo.
Observation of wetting-like phase transitions in a surface-enhanced type-I superconductor

Superconductivity in single crystal Sn samples with surface-enhanced order parameter is studied experimentally. Controllable surface enhancement is achieved by mechanical polishing or by ion irradiation. A first-order surface superconductivity transition is found in parallel magnetic fields close to the bulk critical field Hc(T) and for temperatures above 0.8Tc up till a surface critical temperature Tcs > Tc, where Tc is the bulk critical temperature. The resulting phase diagram agrees with that predicted for interface-delocalization or wetting transitions in type-I superconductors, based on the Ginzburg–Landau theory.
Nonequilibrium Thermodynamics and Statistical Physics of Surfaces

I . Introduction A . Historical Remarks B . On the Mathematical Description of Interfaces I1 . Conservation Laws: A . Introduction B . Conservation of Mass C . The General Form of Interfacial Balance Equations D . Conservation of Momentum E . Conservation of Energy 111 . Entropy Balance A . The Second L.aw of Thermodynamics B . The Entropy . Production IV . The Phenomenological Equations A . Introduction B . The Curie Symmetry Principle C . The Onsager Relations D . Symmetric Traceless Tensorial Force-Flux Pairs E . Vectorial Force-Flux Pairs F . Scalar Force-Flux Pairs G . The Normal Components of the Velocity Field at the Dividing Surface . H . The Liquid-Vapor Interface V . Equilibrium Fluctuations of a Liquid-Vapor Interface A . Introduction B . Fluctuations in the Location of the Dividing Surface C . The Equilibrium Distribution D . The Height-Height Correlation Function E . The Average Density Profile F . The Density-Density Correlation Function G . Spectral Representation of the Density-Density Correlation Function in
MODULATION OF IN VITRO RELEASE OF CRYSTAL VIOLET FROM A BINARY POLYMER HYDROGEL SYSTEM

ABSTRACT A macromolecular vehicle entrapping crystal violet (CV) as a model drug was developed by crosslink polymerization of acrylamide and styrene in the presence of a hydrophilic polymer poly(vinyl alcohol). The loaded polymer matrix was monitored for the controlled release of the crystal violet by a spectrophotometric method. The dynamics of the release process was investigated as a function of the composition of the gel and pH of the release medium. The mechanism of the release process was examined kinetically in terms of the quantitative parameters such as the diffusional exponent n and diffusion constant D evaluated using the Ficks equations.
Incidence of bitter pit in relation to the calcium content of apples: Calcium distribution in the fruit

The distribution of calcium at harvest, its subsequent redistribution within the fruit during storage in air at 2.8°C and bitter pit development in samples of Cox's Orange Pippin apples picked at intervals during September and October were investigated. The distribution of calcium in the fruit changed on the tree and during storage. The percentages of pitted apples, assessed in January, were poorly related to calcium concentrations in the whole fruit or in any fruit zone at harvest. Redistribution of calcium from the mid and outer cortical tissues to the core zone was followed, at longer intervals over successive picks, by the appearance of bitter pit lesions. The earliest-picked sample was less affected by bitter pit than samples picked later in September. The least bitter pit occurred in samples picked in October, after the climacteric rise in respiration, and these fruits were apparently less subject to fluctuations in calcium concentrations during storage.
ANALYSIS OF THE EFFECT OF THE INTERACTIONS AMONG THREE PROCESSING VARIABLES FOR THE PRODUCTION OF EXOPOLYSACCHARIDES IN THE MICROALGAE Scenedesmus obliquus (UTEX 393)

Microalgae are capable of producing biomolecules that have a wide variety of applications in agriculture, food industry, and medicine. In this study, three process variables are evaluated in order to determine its incidence on biomass and exopolysaccharides production. The effect of light intensity, agitation and carbon concentration on Scenedesmus obliquus (UTEX 393) growth and expolysaccaharides production is evaluated using 23 factorial design through the screening methodology. The simultaneous effect of level variation for three different experimental variables is examined in the present study in three levels for each parameter (Light intensity: 80, 130, 180 μE m-2 s-1, Agitation: 0, 600, 1200 rpm, carbon concentration 0, 2, 4% v/v Air-CO2). Specific growth rate and the exopolysaccharides concentration are the selected response variables. Results show that the optimal conditions for the two response variables correspond to the maximum levels of the three experimental variables (180 μE m-2 s-1, 4% air-CO2, and 1200 rpm), obtaining a specific growth rate of 0.64 d-1 and a exopolysaccharides concentration of 24.7 mg L-1. A significant interaction between the variables is observed, which has direct effects on cellular growth and exopolysaccharides production. The EPS production is facilitated by the turbulent flow (agitation maximum level), which is associated with a higher availability and better distribution of energy sources (light) and carbon dioxide. The validation of polynomials models verifies the relevance of the analysis performed.
Controllable fabrication of dendritic mesoporous silica–carbon nanospheres for anthracene removal

Dendritic mesoporous silica–carbon nanospheres with a uniform size (∼100 nm), high surface area (646 m2 g−1), large pore volume (1.4 cm3 g−1) and center-radial oriented open mesopore channels (7.3 nm) have been fabricated by combining an oil–water biphase stratification and an in situ carbonization of surfactant template strategy.
Logistická regrese s aplikacemi ve finančním sektoru

In this bachelor thesis binary logistic regression model is described. Its parameters are estimated by maximum likelihood method. Newton-Raphson's algorithm is used for enumeration of these estimates. There are de ned some statistics for testing the signi cance of the coe cients. Then stepwise regression is described. For assessing the quality of the model Pearson's Chi Square Test and Hosmer-Lemeshow's Test of the goodness of t are de ned. Diversi cation ability of the model is illustrated by the Lorenz curve and is quanti cated by Gini coe cient, Kolmogorov-Smirnov statistics and generalized coe cient of determination. The theoretical knowledge is applied to insurance area data.
Determination of Temperature Dependence of Electrical Conductivity and Its Relationship with Ionic Strength of Anaerobic Digester Supernatant, for Struvite Formation

Electrical conductivity (EC) is used for monitoring different types of aqueous systems. The measured EC value at any temperature needs to be corrected for a standard temperature, for reporting or comparison, since EC is dependent on temperature. A temperature compensation factor has been derived for conductivity correction from anaerobic digester supernatant/centrate samples of five different wastewater treatment plants in western Canada. For a temperature compensation factor of 0.0198° C−1 , corresponding to the standard temperature at 25°C , the estimated EC25 values were found to be reasonably accurate, with a maximum error of 2.01%. The estimated EC values, based on any standard temperature, were found to be statistically similar to each other. Considering the temperature dependence of EC, a relationship between EC and ionic strength was developed in this study for anaerobic digester supernatant/centrate samples. This relationship can be used to estimate the ionic strength of the solution in a system .
Dynamic Characterization of Graphene Growth and Etching by Oxygen on Ru(0001) by Photoemission Electron Microscopy

Epitaxial growth of graphene on Ru(0001) was investigated by photoemission electron microscopy (PEEM) and scanning tunneling microscopy (STM). By connecting the mesoscopic length scale of PEEM and the microscopic length scale of STM, we show that graphene overlayers with sizes ranging from nanometers to sub-millimeters have been prepared on Ru(0001) in a well-controllable fashion. From the systematic investigation of different methods to grow graphene on Ru(0001), the dominant factors in the graphene growth process have been revealed, which enables to grow graphene on transition metal surfaces in a controllable way. Additionally, the dynamic process of graphene etching by oxygen at temperatures between 600−1000 K was studied by in situ PEEM. The reaction kinetics results show that decrease in the graphene overlayers size is linearly dependent on the reaction time, indicating a reaction-controlled process. The catalytic effect of Ru substrate facilitates graphene oxidation, which shows relatively low activ.
Synthesis of Yttria‐Stabilized Zirconia Nanopowders by a Thermal Plasma Process

A thermal plasma process was used to synthesize nanosized zirconia and yttria-stabilized zirconia powders. This paper presents a new method on the synthesis of nanosized zirconia and yttria-stabilized zirconia powders from the carbonates (zirconium carbonate and/or yttrium carbonate). The products from this process using zirconium carbonate were mixtures of monoclinic and tetragonal phases of zirconia. The amount of the tetragonal phase in the mixture increased as the plasma torch power or plasma gas flow rate increased. This is attributed to the formation of metastable tetragonal phase by rapid quenching. With the addition of yttria precursor, two combinations of zirconia phases were formed depending on the yttria contents. Pure tetragonal phase was obtained at 3.8 mol% yttria, while a mixture of tetragonal and cubic phases was produced at 7.7 mol% yttria. The yttria-doped tetragonal phase was stable at high temperatures without the tetragonal-monoclinic phase transition. The grain size of each phase, the particle size, and the BET are also discussed in this paper.
Determination of functional center local environment in copper-modified Pb[Zr0.54Ti0.46]O3 ceramics

Ferroelectric copper(II)-modified polycrystalline Pb[Zr0.54Ti0. 46]O3 ceramics with a dopant concentration of 0.25 mol % were investigated by means of electron paramagnetic resonance and hyperfine sublevel correlation spectroscopy. Special emphasis was put on the resolution of the 207Pb hyperfine couplings, which were resolved in the first and second coordination sphere. The results prove that copper is incorporated at the octahedrally coordinated [Zr,Ti] site, acting as an acceptor and disfavor a directly coordinated oxygen vacancy to the copper center for charge compensation.
Ancient marble and alabaster quarries near Hierapolis in Phrygia (Turkey): new data from archaeological surveys

The paper concerns the results of research conducted in 2005-2007 in the ancient territory of Hierapolis in Phrygia, in cooperation with the Italian Archaeological Mission. During the archaeological surveys in the area surrounding the city, numerous ancient quarries (many of them previously unknown) of white marble, polychrome breccia and alabaster were identified. They were used extensively for urban buildings and necropolises from the Hellenistic to the Early Byzantine period. The alabaster (the so-called listato and fiorito types), identified as the "coloured marble" of Hierapolis mentioned in Classical and Byzantine literary sources, was also exported in Asia Minor and in the Mediterranean basin
2-Amino-3-hydroxy-4-phenyl­thia­zol­ium chloride: π-stacked hydrogen-bonded chains of edge-fused R_{\bf 4}^{\bf 2}(11) rings

In the title compound, C9H9N2OS+·Cl−, the cations exhibit amidinium-type delocalization of the positive charge. The ions are linked by one O—H⋯Cl hydrogen bond and two N—H⋯Cl hydrogen bonds into chains of edge-fused R_4^2(11) rings. The chains are linked into sheets by a π–π stacking interaction.