Miracle-dz/UniFAR-FTUs huggingface dataset:
Kinetics of Ordering with Phase Separation

An attempt is made to investigate theoretically the kinetics of ordering accompanying phase separation in an alloy as a continuous medium. A set of coupled equations for the local composition and the degree of order are derived from the first principles of thermodynamics of irreversible processes, under an appropriate assumption as to the free energy of the system. Under certain circumstances a periodic deviation of local order parameter in the disordered state induces that of the composition, leading to a spinodal decomposition, and the resonance conditions for enhancement of such an induction are examined in the perturbation approximation. In a uniform state of imperfect degree of order disturbances of the local composition and degree of order develop in-phase.
Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties

Five isostructural three-dimensional (3D) lanthanide (Ln) frameworks [LnCl(bpdc)(DMF)] (Ln = La (1), Ce (2), Pr (3), Nd (4), and Sm (5), H2bpdc = 4,4′-biphenyl-dicarboxylic acid, DMF = N,N-dimethylformamide) have been solvothermally synthesized and characterized by TGA, IR, and X-ray single crystal diffraction. The frameworks contain unusual Ln-carboxylate/Cl chains, and which are extended by bpdc2- linkers to form 4-connected sra networks with 1D rhombic channels. The effect of lanthanide contraction induces the decreases of average Ln–O and Ln–Cl distances from La to Sm. 4 exhibits strong characteristic luminescence of Nd3+ ions in the near-infrared (NIR) region, resulting from the sensitization of bpdc2–. 3 displays weak NIR emission due to the inefficient sensitization of Pr3+ ions. The depopulation of the Stark levels and possible antiferromagnetic interactions within the Ln-carboxylate/Cl chains lead to the continuous decreases of χMT for 2–4 along the decreasing temperatures.
Synthesis and structure optimization of double (fluorescent and spin) sensor molecules

Synthesis and fluorescence properties of stable nitroxide free radicals (10a, 11a, 12a, 14a, 20a, 21a) and their amine (10b, 11b, 12b, 14b, 20b, 21b) precursors covalently linked to dansyl or 3- and 4-aminophthalimide are reported. The best intramolecular quenching is achieved when the fluorophore and the nitroxide are in the closest possible position
Enhanced Diffusion of Glucose-Fueled Janus Particles

The search for biocompatible fuels to induce autonomous motion in particles is a long-standing challenge in the field of nanorobotics. Hydrogen peroxide (H2O2) is the most utilized fuel for micro/nanomotors, although its cytotoxicity impedes its application in a biomedical context. Biocompatibility not only involves the adjustment of the motor, which should convert the energy from a stable compound into locomotion, but also requires new fabrication methods and the generation of nontoxic products resulting from fuel consumption. To address this challenge, we present the assembly and enhanced diffusion of sub-micron-sized Janus particles that feature one hemisphere decorated with the enzyme pair glucose oxidase and catalase and the use of glucose as fuel. It is found that the colloids exhibit glucose-concentration-dependent enhanced diffusion behavior, thus bringing the concept of nanomachines closer to use in biomedical applications.
Bayesian methods in applied econometrics, or advantages and properties of Bayesian statistics

Bayesian statistics can be presented as a generalization of the frequentist approach. The choice of probabilized the space of states is truly revolutionary. Statisticians draw a hermetic border between the notion of unknown parameter and random parameter. In this article, we want to show the interest of Bayesian econometrics and this analytical approach on three important points; in the level of characteristics, in the advantages and finally in the properties.
AVALIAÇÃO DA INFLUÊNCIA DA MATÉRIA ORGÂNICA NO DESEMPENHO DO PROCESSO DE DESAMONIFICAÇÃO

RESUMO Um dos maiores desafios da atividade suinicola esta associado ao tratamento do efluente gerado e a possibilidade do reuso da agua tratada na cadeia produtiva. Processos convencionais de tratamento, como biodigestores, nao removem toda materia orgânica do efluente, tampouco os seus nutrientes. Novos processos, como o de desamonificacao, com melhores custos-beneficios, surgem como alternativas promissoras para a remocao de compostos nitrogenados. No presente trabalho, avaliou-se a influencia da concentracao de materia orgânica na eficiencia do processo de desamonificacao. Para tanto, inoculou-se um reator de leito movel com fluxo ascendente, 30% v/v de meio suporte, operado com aeracao e alimentacao intermitente, a 25°C. Os resultados mostraram que, na presenca de materia orgânica, houve uma competicao entre BOA e bacterias heterotroficas por OD, comprometendo a estabilidade do processo quando a relacao C/N foi superior a 2,0 mgCOT. (mgN-NH4 + ) -1 , nas condicoes operacionais estudadas.
State of the art on protein manipulation employing dielectrophoresis

Microanalytical systems or lab-on-a-chip devices are becoming more important in the field of bioseparations. These microsystems are able to handle the same tasks as conventional lab equipments with the advantages of faster analysis time, requiring less sample and being portable. There is a growing interest on the development of bioseparation techniques applicable at microscale. Dielectrophoresis (DEP) is among the most used microscale techniques. DEP is the movement of particles as result of polarization effects due to nonuniform electric fields. DEP is a fast response method, with enough selectivity for the manipulation and separation of bioparticles such as microorganisms and macromolecules (proteins and DNA). Due to the importance of proteins in biotechnological and pharmaceutical processes, this article presents an analysis of the advances in the area of separation, concentration and purification processes of proteins, employing the technique of dielectrophoresis at microscale. The findings of important research groups around the world are included in the use of this microscale technique for protein manipulation. Important research groups were strategically selected with the objective of providing the reader with an overview on the state of the art on the utilization of dielectrophoresis for the manipulation and concentration of protein in microdevices.
Soil Moisture Tension Relationships of some Indian Soils

Soil moisture retention curves, presented for a few alluvial, black, red, laterite and lateritic, mountain and forest, desert and saline soils of India, show that most of the moisture is released within a tension of I to 2 atmospheres. The retention curves for the surface and sub-surface layers are of similar nature, differing only in relative retentivity. Variations in moisture retention of the soils within the same group are as great as between soils of different groups. On the average, the available moisture is high in black, mountain and forest soils and low in laterite soils. In all the soil groups, moisture retention is mainly a function of amount and nature of clay and to some extent of organic matter. But fifteen atmosphere percentage and hygroscopic coefficient are mainly influenced by clay content. The lj3-atmos-phere percentage is higher than moisture equivalent. Significant positive correlation between moisture equivalent and organic carbon has been obtained in coarse textured soils only. Correlations between clay plus silt content and 1110, 1/3 and 15 atmosphere percentages are positive and highly significant. Above one atmosphere, moisture content is a linear function of log. tension.
Inertia Drives a Flocking Phase Transition in Viscous Active Fluids

How fast must an oriented collection of extensile swimmers swim to escape the instability of viscous active suspensions? We show that the answer lies in the dimensionless combination $R=\rho v_0^2/2\sigma_a$, where $\rho$ is the suspension mass density, $v_0$ the swim speed and $\sigma_a$ the active stress. Linear stability analysis shows that for small $R$ disturbances grow at a rate linear in their wavenumber $q$, and that the dominant instability mode involves twist. The resulting steady state in our numerical studies is isotropic hedgehog-defect turbulence. Past a first threshold $R$ of order unity we find a slower growth rate, of $O(q^2)$; the numerically observed steady state is {\it phase-turbulent}: noisy but {\it aligned} on average. We present numerical evidence in three and two dimensions that this inertia driven flocking transition is continuous, with a correlation length that grows on approaching the transition. For much larger $R$ we find an aligned state linearly stable to perturbations at all $q$. Our predictions should be testable in suspensions of mesoscale swimmers [D Klotsa, Soft Matter \textbf{15}, 8946 (2019)].
Tillage-induced short-term soil organic matter turnover and respiration

Abstract. Tillage induces decomposition and mineralisation of soil organic matter (SOM) by the disruption of macroaggregates and may increase soil CO2 efflux by respiration, but these processes are not well understood at the molecular level. We sampled three treatments (mineral fertiliser: MF; biogas digestate: BD; unfertilised control: CL) of a Stagnic Luvisol a few hours before and directly after tillage as well as 4 days later from a harvested maize field in northern Germany and investigated these samples by means of pyrolysis-field ionisation mass spectrometry (Py-FIMS) and hot-water extraction. Before tillage, the Py-FIMS mass spectra revealed differences in relative ion intensities of MF and CL compared to BD most likely attributable to the cattle manure used for the biogas feedstock and to relative enrichments during anaerobic fermentation. After tillage, the CO2 effluxes were increased in all treatments, but this increase was less pronounced in BD. We explain this by restricted availability of readily biodegradable carbon compounds and possibly an inhibitory effect of sterols from digestates. Significant changes in SOM composition were observed following tillage. In particular, lignin decomposition and increased proportions of N-containing compounds were detected in BD. In MF, lipid proportions increased at the expense of ammonia, ammonium, carbohydrates and peptides, indicating enhanced microbial activity. SOM composition in CL was unaffected by tillage. Our analyses provide strong evidence for significant short-term SOM changes due to tillage in fertilised soils.
Catalytic Reduction of Hexavalent Chromium Using Flexible Nanostructured Poly(amic acids)

Conducting polymers can be tuned by manipulating the delocalized π electron system for chemical and electrocatalytic applications. We hereby describe the reduction of Cr(VI) to Cr(III) by flexible nanostructured conducting poly(amic acid) (PAA) in both solution phase and as a thin film on a gold electrode. Sodium borohydride was used as a reducing agent to prepare different sizes (3−20 nm) of palladium nanoparticles (PdNPs). The effects of experimental parameters such as particle size, temperature, and Cr(VI) concentration on the kinetics and efficiency of reduction process were investigated. Results show that in PAA solution, Cr(VI) was efficiently reduced by 85.9% within a concentration range of 1.0 × 10−1−1.0 × 102 mM. In the presence of PdNPs and heat (40 °C), the reduction efficiency increased to 96.6% and 99.9% respectively. When employed on a solid electrode, PAA undergoes a quasi-reversible electrochemistry in acidic media with reduction efficiency for Cr(VI) at 72.84%. The method was validated us.
Efficient Adsorption and Combined Heterogeneous/Homogeneous Fenton Oxidation of Amaranth Using Supported Nano-FeOOH As Cathodic Catalysts

Iron oxyhydroxide (FeOOH) as heterogeneous catalyst has been widely used in Fenton-like advanced oxidation processes due to its attractive properties such as wide-operating pH range and controllable iron leaching into solution. However, little is known about the Fe3+/Fe2+ transformation of supported FeOOH catalyst under the external electrical field condition, which is of the essence in electro-Fenton-like oxidation reactions. In this study, activated carbon-supported nano-FeOOH (FeOOH/AC) catalysts were prepared by the air oxidation of ferrous hydroxide suspension method. The as-prepared catalyst was characterized with various characterization techniques and identified as goethite and lepidocrocite mixed crystals. Adsorption and electrochemically assisted oxidation of amaranth with the FeOOH/AC heterogeneous catalysts were investigated at pH 4.0 using graphite felt as cathode. Under weak acidic and external electric field conditions, the supported nano-FeOOH catalyst undergoes proton-promoted dissolution.
The Influence of Cation and Vacancy Distributions on the Ionic Conductivity of Acceptor Doped Oxygen Ion Conductors

Abstract We present a simple model for the ionic conductivity of an acceptor doped oxygen ion conductor, (A1−xBBxB)O2−xB/2, which can be applied to yttria doped zirconia (YSZ). The model considers repulsive interaction between the dopant cations and interactions between oxygen vacancies and dopant cations, which may be zero, attractive or repulsive. For simplicity, we consider a two-dimensional triangular lattice, where the oxygen ions occupy triangles formed by the cations. At first we calculate the fractions of B-clusters consisting of B-pairs, B-triplets and B-quartets and then the fractions of AAA-, AAB-, ABB- and BBB-triangles. The vacancies are distributed to the triangles using quasi-chemical reactions for the exchange between the different sites. The resulting vacancy distribution is used in a simplified model for the oxygen ion conductivity which considers jump rates between different oxygen sites that depend on their local neighbourhood and the nature of the cation–cation edge which has to be crossed during a jump. Strongly reduced jump rates through A–B and B–B edges are necessary to obtain a maximum of the conductivity as a function of the dopant fraction. The most beneficial effect of the acceptor dopant is obtained for repulsive interaction between vacancies and dopant ions, such as Y, Gd or Sm, which are known to cause high oxygen ion conductivities. For dopants with attractive V–B interaction our model predicts only small oxygen ion conductivities.
Optimization and Growth in First-Passage Resetting

We combine the processes of resetting and first-passage to define firstpassage resetting, where the resetting of a random walk to a fixed position is triggered by a first-passage event of the walk itself. In an infinite domain, first-passage resetting of isotropic diffusion is non-stationary, with the number of resetting events growing with time as √ t. We calculate the resulting spatial probability distribution of the particle analytically, and also obtain this distribution by a geometric path decomposition. In a finite interval, we define an optimization problem that is controlled by first-passage resetting; this scenario is motivated by reliability theory. The goal is to operate a system close to its maximum capacity without experiencing too many breakdowns. However, when a breakdown occurs the system is reset to its minimal operating point. We define and optimize an objective function that maximizes the reward (being close to maximum operation) minus a penalty for each breakdown. We also investigate extensions of this basic model to include delay after each reset and to two dimensions. Finally, we study the growth dynamics of a domain in which the domain boundary recedes by a specified amount whenever the diffusing particle reaches the boundary after which a resetting event occurs. We determine the growth rate of the domain for the semi-infinite line and the finite interval and find a wide range of behaviors that depend on how much the recession occurs when the particle hits the boundary.
The Spin‐Crossover Phenomenon at the Coherent‐Domains Scale in 1D Polymeric Powders: Evidence for Structural Fatigability

The coherent-domain morphology was determined for a crystalline powder of the 1D polymeric spin-crossover [Fe(Htrz)2(trz)](BF4) {Htrz = 1H-1,2,4-triazole, trz = deprotonated triazolato(–) ligand} compound. This morphology is in adequacy with the crystal packing and proved that the long axis of the domain corresponds to the iron–triazole chains axis, which gives information on the crystal-growth process. Furthermore, thermal cycling clearly demonstrated that the coherent-domain length strongly and continuously decreased as a function of the number of spin-crossover cycles undergone. The degradation in the crystalline quality corresponds to a break in the [Fe(Htrz)2(trz)]+ chains. This structural fatigability was confirmed by similar observations on a close spin-crossover compound, [Fe(NH2trz)3](NO3)2·H2O, showing that a few hundreds of thermal spin-crossover cycles could destroy the crystalline aspect of the sample.
Influences of Gd Substitution on the Crystal Structure and Visible-Light-Driven Photocatalytic Performance of Bi2WO6

Different samples of gadolinium (Gd)-doped Bi2WO6 were obtained by hydrothermal means, and their photocatalytic activities for degradation of rhodamine B (RhB) under visible-light irradiation were researched. The successful incorporation of Gd3+ ions into Bi2WO6 was detected by XRD and XPS, and the prepared samples have also been characteriazed by SEM, TEM, HRTEM, DRS, and PL. The results suggested that Gd doping has great influences on the visible-light photocatalytic activity as well as the microstructure. Appropriate doping content greatly improve photocatalytic activity due to the electron shallow-trapping mechanism for the efficient separation of electron and hole pairs, and the 1% Gd–Bi2WO6 sample with flower-like structure exhibited the highest photocatalytic activity. It has already been confirmed by photocurrent generation and electrochemical impedance spectra. The present research provides a simple and valid method for improving the visible-light-responding photocatalytic activity and fabricatin.
An exploration in a university setting

Purpose – The purpose of this study is to analyse how academic staff cope with the new culture of performance measurement and assessment in universities. In particular, the study aims to shed light on how external pressures related to measurement of research performance are translated into organisational and individual academic responses within the university and the extent to which these responses are related specifically to the operational features of performance measurement systems (PMS). Design/methodology/approach – The study is based on a case study conducted in an Italian public university and based on interviews with a cross-disciplinary sample of faculty members. Findings – The study provides insights into how linking financial incentives and career progression to research performance metrics at the system and organisational levels may have important reorientation effects on individual behaviours and epistemic consequences for the academic work. Research limitations/implications – The study is based on interviews, so one limitation is related to the risk of researcher and interviewee personal bias. Moreover, this study is focused on one single case of a specific university setting, which cannot be fully representative of the experiences of others. Originality/value – The study contributes to the literature on management accounting by exploring the factors that might explain why the unintended effects of PMS on academics’ behaviour reported by several studies might occur. From a practitioner’s point of view, it shows features of PMS that may produce unintended effects on academic activities. It also highlights the need to rethink PMS for the evaluation of university performance through the involvement of different stakeholders.
Mutational landscape of high-grade B-cell lymphoma with MYC-, BCL2 and/or BCL6 rearrangements characterized by whole-exome sequencing

High-grade B-cell lymphoma accompanied with MYC and BCL2 and/or BCL6 rearrangements (HGBL-DH/TH) poses a cytogenetically-defined provisional entity among aggressive B-cell lymphomas that is traditionally associated with unfavorable prognosis. To better understand the mutational and molecular landscape of HGBL-DH/TH we here performed whole-exome sequencing and deep panel next-generation-sequencing (NGS) of 47 clinically annotated cases. Oncogenic drivers, mutational signatures and perturbed pathways were compared with data from follicular lymphoma (FL), diffuse large-B-cell lymphoma (DLBCL) and Burkitt lymphoma (BL). We find an accumulation of oncogenic mutations in NOTCH, IL6/JAK/STAT and NF{kappa}B signaling pathways and delineate the mutational relationship within the continuum between FL/DLBCL, HGBL-DH/TH and BL. Further, we provide evidence of a molecular divergence between BCL2 and BCL6 rearranged HGBL-DH. Beyond a significant congruency with the C3/EZB DLBCL cluster in BCL2 rearranged cases on an exome-wide level, we observe an enrichment of the SBS6 mutation signature in BCL6 rearranged cases. Differential gene set enrichment and subsequent network propagation analysis according to cytogenetically defined subgroups revealed an impairment of TP53 and MYC pathway signaling in BCL2 rearranged cases, whereas BCL6 rearranged cases lacked this enrichment, but instead exhibited showed impairment of E2F targets. Intriguingly, HGBL-TH displayed intermediate mutational features in all three aspects. This study elucidates a recurrent pattern of mutational events driving FL into MYC-driven BCL2 rearranged HGBL, unveiling the mutational pathogenesis of this provisional entity. Through this refinement of the molecular taxonomy for aggressive, germinal-center derived B-cell lymphomas, this calls into question the current WHO classification system, especially regarding the status of MYC/BCL6 rearranged HGBL.
Termination Analysis of Probabilistic Programs with Martingales

: Probabilistic programs extend classical imperative programs with random-value generators. For classical non-probabilistic programs, termination is a key question in static analysis of programs, that given a program and an initial condition asks whether it terminates. In the presence of probabilistic behavior there are two fundamental extensions of the termination question, namely, (a) the almost-sure termination question that asks whether the termination probability is 1; and (b) the bounded-time termination question that asks whether the expected termination time is bounded. While there are many active research directions to address the above problems, one important research direction is the use of martingale theory for termination analysis. We will survey the main techniques related to martingale-based approach for termination analysis of probabilistic programs.