Miracle-dz/UniFAR-FTUs huggingface dataset:
Loughborough University Institutional Repository Quantitative wave function analysis for excited states of transition metal complexes

The character of an electronically excited state is one of the most important descriptors employed to discuss the photophysics and photochemistry of transition metal complexes. In transition metal complexes, the interaction between the metal and the di erent ligands gives rise to a rich variety of excited states, including metal-centered, intra-ligand, metal-to-ligand charge transfer, ligand-to-metal charge transfer, and ligand-to-ligand charge transfer states. Most often, these excited states are identi ed by considering the most important wave function excitation coe cients and inspecting visually the involved orbitals. This procedure is tedious, subjective, and imprecise. Instead, automatic and quantitative techniques for excited-state characterization are desirable. In this contribution we review the concept of charge transfer numbers—as implemented in the TheoDORE package—and show its wide applicability to characterize the excited states of transition metal complexes. Charge transfer numbers are a formal way to analyze an excited state in terms of electron transitions between groups of atoms based only on the well-de ned transition density matrix. Its advantages are many: it can be fully automatized for many excited states, is objective and reproducible, and provides quantitative data useful for the discussion of trends or patterns. We also introduce a formalism for spin-orbit-mixed states and a method for statistical analysis of charge transfer numbers. The potential of this technique is demonstrated for a number of prototypical transition metal complexes containing Ir, Ru, and Re. Topics discussed include orbital delocalization between metal and carbonyl ligands, nonradiative decay through metal-centered states, e ect of spin-orbit couplings on state character, and comparison among results obtained from di erent electronic structure methods.
Diisopropylphenol Protects Osteoblasts from Oxidative Stress-Induced Apoptosis through Suppression of Caspase-3 Activation

2,6-Diisopropylphenol is an intravenous anesthetic agent used for induction and maintenance of anesthesia. Since it is similar to -tocopherol, 2,6-diisopropylphenol may have antioxidant effects. Osteoblasts play important roles in bone remodeling. In this study, we attempted to evaluate the protective effects of 2,6-diisopropylphenol on oxidative stress-induced osteoblast insults and their possible mechanisms, using neonatal rat calvarial osteoblasts as the experimental model. Clinically relevant concentrations of 2,6diisopropylphenol (3 and 30 M) had no effect on osteoblast viability. However, 2,6-diisopropylphenol at 300 M time-dependently caused osteoblast death. Exposure to sodium nitroprusside (SNP), a nitric oxide donor, increased amounts of nitrite in osteoblasts. 2,6-Diisopropylphenol did not scavenge basal or SNP-releasing nitric oxide. Hydrogen peroxide (HP) enhanced levels of intracellular reactive oxygen species in osteoblasts. 2,6-Diisopropylphenol significantly reduced HP-induced oxidative stress. Exposure of osteoblasts to SNP and HP decreased cell viability time-dependently. 2,6Diisopropylphenol protected osteoblasts from SNPand HP-induced cell damage. Analysis by a flow cytometric method revealed that SNP and HP induced osteoblast apoptosis. 2,6-Diisopropylphenol significantly blocked SNPand HP-induced osteoblast apoptosis. Administration of SNP and HP increased caspase-3 activities. However, 2,6-diisopropylphenol significantly decreased SNPand HP-enhanced caspase-3 activities. This study shows that a therapeutic concentration of 2,6-diisopropylphenol can protect osteoblasts from SNPand HP-induced cell insults, possibly via suppression of caspase-3 activities. fR-M.C. and G-J.W. contributed equally to this paper. Address for correspondence: Professor Ta-Liang Chen, Department of Anesthesiology, WanFang Hospital, or Ruei-Ming Chen, Graduate Institute of Medical Sciences, College of Medicine, Taipei Medical University, No. 111, Hsing-Lung Rd., Sec. 3, Taipei 116, Taiwan. Voice: +886-2-29307930 ext. 2159; fax: +886-2-86621119. rmchen@tmu.edu. tw or tlc@tmu.edu. tw 449 CHEN et al.: EFFECTS OF 2,6-DIISOPROPYLPHENOL ON OSTEOBLSASTS
On the estimation of non-fibrous carbohydrates in feeds and diets

However, the quantitative evaluations of a feed must be based on assumption that its centesimal composition is entirely known. Thereby, the union of chemical compounds previously described in quantitative analyses just could be done if, and only if, their sum produced the total composition of the feed. It is obviously not verified. From this, a fifth chemical group was established, which should represent all chemical characteristics that do not belong to the other compounds. This group is calculated as:
Jurnal Teknologi Schema Matching Quality : Thesaurus as the Matcher

Thesaurus is used in many Information Retrieval (IR) applications such as data integration, data warehousing, semantic query processing and classifiers. It was also utilized to solve the problem of schema matching. Considering the fact of existence of many thesauri for a certain area of knowledge, the quality of schema matching results when using different thesauri in the same field is not predictable. In this paper, we propose a methodology to study the performance of the thesaurus in solving schema matching. The paper also presents results of experiments using different thesauri. Precision, recall, Fmeasure, and similarity average were calculated to show that the quality of matching changed according to the used thesaurus.
Challenges in Nextgen Service Orchestration

Fog/edge computing, function as a service, and programmable infrastructures, like software-defined networking or network function virtualisation, are becoming ubiquitously used in modern Information Technology infrastructures. These technologies change the characteristics and capabilities of the underlying computational substrate where services run (e.g. higher volatility, scarcer computational power, or programmability). As a consequence, the nature of the services that can be run on them changes too (smaller codebases, more fragmented state, etc.). These changes bring new requirements for service orchestrators, which need to evolve so as to support new scenarios where a close interaction between service and infrastructure becomes essential to deliver a seamless user experience. Here, we present the challenges brought forward by this new breed of technologies and where current orchestration techniques stand with regards to the new challenges. We also present a set of promising technologies that can help tame this brave new world.
Dagsvik Probabilistic Choice Models for Uncertain Outcomes

This paper discusses the problem of specifying probabilistic models for choices (strategies) with uncertain outcomes. The most general case we consider is choice settings where the uncertain outcomes are sets which may contain more than one alternative. This is of interest for the following type of choice processes that take place in two stages: In stage one the agent has the choice between uncertain sets of alternatives and only knows the probabilities of which alternative that belongs to each set. Conditional on the choice in the first stage the content of the chosen set is revealed and the agent chooses (under perfect certainty) the most preferred one from this set. The standard setting in which the outcomes are single alternatives, follows as a special case of the model. The point of departure is a generalization of Luce IIA assumption to choice experiments with uncertain outcomes and we analyze the implications when IIA is combined with particular assumptions about invariance with respect to aggregations of strategies.
Global correlates of species richness in turtles

The relationships between maximum total and maximum freshwater turtle species richness versus twelve environmental factors hy­ pothesized to be correlated with richness were examined for 42 river drainage basins on five continents. The only highly significant correlate was annual rainfall. Latitude, temperatures, and basin area and discharge were not significantly correlated with species rich­ ness. These results are interpreted in light of current theoretical determinants of species diversity.
Regulation of bacterial cell wall growth 1 2

20 During growth and propagation a bacterial cell enlarges and subsequently divides its peptidoglycan 21 (PG) sacculus, a continuous mesh-like layer that encases the cell membrane to confer mechanical 22 strength and morphological robustness. The mechanism of sacculus growth, how it is regulated, and 23 how it is coordinated with other cellular processes is poorly understood. In this article we will discuss 24 briefly the current knowledge of how cell wall synthesis is regulated, on multiple levels, from both 25 sides of the cytoplasmic membrane. According to the current knowledge, cytosolic scaffolding 26 proteins connect PG synthases with cytoskeletal elements, and protein phosphorylation regulates cell 27 wall growth in Gram-positive species. PG-active enzymes engage in multiple protein-protein 28 interactions within PG synthesis multi-enzyme complexes, and some of the interactions modulate 29 activities. PG synthesis is also regulated by central metabolism, and by PG maturation through the 30 action of PG hydrolytic enzymes. Only now are we beginning to appreciate how these multiple levels 31 of regulating PG synthesis enable the cell to propagate robustly with a defined cell shape under 32 different and variable growth conditions. 33
Attitude Trajectory Optimization and Momentum Conservation with Control Moment Gyroscopes

In this work, we develop a numerically tractable trajectory optimization problem for rest-to-rest attitude transfers with CMG-driven spacecraft. First, we adapt a specialized dynamical model which avoids many of the numerical challenges (singularities) introduced by common dynamical approximations. To formulate and solve our specialized trajectory optimization problem, we design a locally stabilizing Linear Quadratic (LQ) regulator on the system's configuration manifold then lift it into the ambient state space to produce suitable terminal and running LQ cost functionals. Finally, we examine the performance benefits and drawbacks of solutions to this optimization problem via the PRONTO solver and find significant improvements in maneuver time, terminal state accuracy, and total control effort. This analysis also highlights a critical shortcoming for objective functions which penalize only the norm of the control input rather than electrical power usage.
Attributes of Unfermented and Fermented Oat Milk Compared to Cow Milk in Alloxan-Induced Diabetic Rats

The present study aimed to assess the therapeutic effect of the unfermented and fermented cow; oat milk (CM, OM, FCM, and FOM) and fermented oat milk supplemented with 2% whey protein concentrate (FOM+WP) in diabetic rats. Alloxan was applied for inducing diabetes and hyperlipidemia in rats. The rats were randomly divided into two main groups. Control (-) (6 rats) were fed on a standard diet, while the second group (42 diabetics rats) were divided into six groups (6 rats each), and treated by different unfermented and fermented milk types by epigastric tube for 4 weeks. After four weeks, all treatments reduced the level of glucose, the serum levels of TC, TG and LDL-c compared to control (+) group and this was associated with a significant increase (p<0.05) in HDL-c in these groups. The highest significantly (p<0.05) decrease recorded in the groups fed with (OM) and (FCM), respectively. Liver enzymes activity decreased significantly (P˂0.05) in FOM + WP, FOM, FCM and OM groups, respectively. Feeding the rats on fermented oat milk fortified with whey protein led to decrease the fecal total anaerobes and fecal enterobacterial counts and stimulate the viability of both fecal lactobacilli and bifidobacteria in the intestinal colon, compared with other treatments. Histopathological examination of the liver sections showed no histopathological alteration in the hepatic parenchyma in (FOM+WP) group. (OM) and (FCM) groups showed no histopathological alteration and the islands of Langerhans cells were in normal size as well as the surrounding acini and ducts. In conclusion, treatment with oat milk led to curing hyperglycemia and hyperlipidemia in diabetic rats. Meanwhile, treatment with fermented oat milk fortified with whey proteins resulted in a better effect on the liver and improved the growth of the health-promoting intestinal microflora.
ACCCURATE , EFFICIENT AND ROBUST EXPLICIT AND IMPLICIT INTEGRATION SCHEMES FOR THE ARRUDA-BOYCE VISCOPLATIC MODEL

Starting from the mathematical structure and kinematic framework of the ArrudaBoyce viscoplastic model, a great variety of ideas can be tested to develop advanced constitutive models for polymers, biomaterials and soft tissues. Moreover, the primitive ArrudaBoyce constitutive model has been the cornerstone for the development of quite sophisticated models to reproduce large-strain mechanical behavior of polymers and soft biological tissues. However, it is noteworthy that it is still impossible to find a scientific article (or book) providing a detailed description of explicit or implicit integration schemes for this constitutive model. In fact, it is quite difficult to find numerical implementations of any unified viscoplastic model. For that reason, the authors present in this article two simple integration algorithms for the Arruda-Boyce viscoplastic model, one them explicit and the other one implicit. The development of this algorithms required a thorough bibliographical review, searching and collecting the most convenient numerical strategies, revision of standard numerical practices (and eventually their avoidance) and of course the inclusion of the own ideas of the authors. The final result is a meticulous combination of elements which were carefully assembled into two numerical material routines, which up to the present date, have worked satisfactorily with all the finite element analyses carried out by the authors. Mecánica Computacional Vol XXVII, págs. 1003-1042 (artículo completo) Alberto Cardona, Mario Storti, Carlos Zuppa. (Eds.) San Luis, Argentina, 10-13 Noviembre 2008 Copyright © 2008 Asociación Argentina de Mecánica Computacional http://www.amcaonline. org.ar
Yield and Quality Parameters of Sweet Pepper Fruits as Affected by P-Fertilization and Compost Town Refuse

In season of 2018, an experiment was established as field experiment to evaluate the effect of different raets of phosphorus fertilization (control, 25, 50, 75 and 100% from recommended dose, 60 kg.fedcalcium superphosphate SP; 15% P2O5 as main plots along with presence and absence of compost town refuse as sub-plots on growth, chemical contenst and productivity of sweet pepper plant (Capcicum annum) at the Experimental Farm of Faculty of Agricultural, El-Mansoura University.The experiment tested was arrauged in an experimental split plot design with three replicates.The results showed that growth of sweet pepper plants were affected signifiently according to application of P-fertilization, addition of 75% followed by 50% which recorded the highest values of average fresh weight (g), number of fruits per plant, total fruit yield per plant (g/plant) and total yield (ton/fed) as well as DM%, an increase in photosynthetic pigments, TSS% and V.C (mg/100g) and minerals composition (N, P and K% in leaves and fruits) was also recorded, while Fe, Mn and Zn in sweet pepper fruits decreased with increasing P-fertilization comparing with the control which treatment recorded the lowest values,where the highest values were recorded with 25% of P-fertilization. Heavy metals were increased until 100% P-fertilization. All studied parameters under investigation were increased due to application of compost town refuse. So, it could be recommended for using both 75% from P-fertilization recommended dose and compost town refuse for optimum sweet pepper performance. Therefore, the organic fertilizers might help in reducing the need of high rates of P-fertilization to maintain proper P amount and also in reducing the expenses.
MORPHOLOGICAL CHANGES AND DNA DAMAGE IN Chlorella vulgaris ( UMT-M 1 ) INDUCED BY Hg

This study reported the effects of Hg2+ on the morphology and DNA of a microalga, Chlorella vulgaris (UMT-M1). Morphological changes and DNA damage in cells were analysed using scanning electron microscope (SEM) and Comet assay, respectively. The half maximal inhibitory concentration (i.e. IC50 ) of Hg2+ on the growth of C. vulgaris obtained from the dose-response curve was 0.72 mg/L. Under SEM, it was observed that Hg2+ treated cells become smaller in size (i.e. 2.1±0.1 μm) compared to normal cells (i.e. 3.2±0.1 μm). The morphology of cells changed from an intact microalgal cells with smooth spherical surface to a slightly roughened surface and shrivelled shape. Apoptotic bodies were also observed under 0.001, 0.01 and 0.1 mg/L of Hg2+ but not in 1.0 mg/L Hg2+. These results indicate that Hg2+ may induce apoptotic cell death at low concentrations but not at the highest concentration of 1.0 mg/L. The highest percentage of cells with comet level of 4 was observed in 1.0 mg/L Hg2+. However, Hg2+ is genotoxic to the microalga even at low concentration. In conclusion, Hg2+ can exert its toxic effects on C. vulgaris by changing the microalgal morphology, damaging the microalgal DNA and inducing cell death in the microalgal cells using different pathways at different concentrations.
2 Applying Multiple Behavioral Pattern Analyses to Online Knowledge Management Environments for Teachers ’ Professional Development

Given the trend toward digitalized knowledge management and the highly interactive Internet environments of Web 2.0, the digitalization of teaching resources and teachers’ knowledge management have become important issues. In the field of digital learning, a growing number of studies are focusing on applying Web 2.0 technologies (e.g., blogs and social community software) to teaching (e.g., Fessakis et al., 2008; Kabilan et al., 2010; Mazman & Usluel, 2010). With diversified digital teaching contents, these technologies extend and integrate current teaching modes and help create many new online instructional strategies. In the future, teachers may need to use these growing and complex digital teaching materials, digital learning contents, and instructional strategies. To be utilizes by teachers, these resources must be efficiently and effectively integrated. From the perspective of knowledge management, teachers must also be able to share and integrate their teaching knowledge efficiently within their communities of professional development and, more importantly, effectively externalize and combine knowledge. Many studies have investigated issues of teacher community and teacher knowledge management (Barab, et al., 2001; Carroll et al., 2003; Hou et al., 2009a, 2009b; Hsu, 2004; Snow-Gerono, 2005; Stigler & Hiebert, 1999), including the application of new technologies to teacher knowledge management (Carroll et al., 2003; Lee et al., 2010). Many studies have also pointed out the necessity of schools adopting knowledge management (Hargreaves, 1999; Kuo, 2003; McKenzie et al., 2001; Richard, 2001). Most teacher knowledge is tacit, and the goal of knowledge sharing is not definite (Carroll et al., 2003); thus, teachers require more assistance and guidance when sharing knowledge. There also exist differences in knowledge sharing behaviors in different types of organizations (Bock et al., 2005; Yang, 2007; Yang & Chen, 2007); therefore, knowledge management strategies should be customized based on teachers’ organizations and teaching contexts so as to facilitate teaching knowledge sharing and management of teacher communities. Professional development knowledge sharing is increasingly important for teachers because the digitization of teaching contents has resulted in knowledge content becoming more diverse,
- A Raw Waveform Model for the Glottal Excitation in Statistical Parametric Speech Synthesis

Recently, generative neural network models which operate directly on raw audio, such as WaveNet, have improved the state of the art in text-to-speech synthesis (TTS). Moreover, there is increasing interest in using these models as statistical vocoders for generating speech waveforms from various acoustic features. However, there is also a need to reduce the model complexity, without compromising the synthesis quality. Previously, glottal pulseforms (i.e., time-domain waveforms corresponding to the source of human voice production mechanism) have been successfully synthesized in TTS by glottal vocoders using straightforward deep feedforward neural networks. Therefore, it is natural to extend the glottal waveform modeling domain to use the more powerful WaveNet-like architecture. Furthermore, due to their inherent simplicity, glottal excitation waveforms permit scaling down the waveform generator architecture. In this study, we present a raw waveform glottal excitation model, called GlotNet, and compare its performance with the corresponding direct speech waveform model, WaveNet, using equivalent architectures. The models are evaluated as part of a statistical parametric TTS system. Listening test results show that both approaches are rated highly in voice similarity to the target speaker, and obtain similar quality ratings with large models. Furthermore, when the model size is reduced, the quality degradation is less severe for GlotNet.
[CAPA] UNIVERSIDADE FEDERAL DO PARANÁ ROCÍO DEL PILAR CUASPA ROPAÍN BIODIVERSIDADE MICROBIANA E PROSPECÇÃO METAGENÔMICA EM AMOSTRAS DE TRATAMENTOS DE RESÍDUOS PECUÁRIOS CURITIBA 2018 ROCÍO DEL PILAR CUASPA ROPAÍN BIODIVERSIDADE MICROBIANA E PROSPECÇÃO METAGENÔMICA EM AMOSTRAS DE TRATAME

Due to the relevance of the poultry and swine husbandry industry in Brazil, proper waste destination gains importance. One of the possible treatments is composting, and it can be carried out using a traditional static pile or a roto-accelerator. This process is performed mainly by microorganisms transforming organic matter in nutrient compost for crops. In this work, composting samples of 5 commercial farms were analyzed by extracting and sequencing metagenomic DNA using the 16S rRNA biodiversity approach or the whole DNA sequencing by "shotgun", both using the Illumina MiSeq platform. Phylum Firmicutes was found as the most abundant one in all samples, followed by Actinobacteria, Proteobacteria and Bacteroidetes. Genus Nasocomiicoccus was found associated with poultry waste samples and Bacillus genus with swine waste samples. When compared samples treated in traditional pile with those from rotoaccelerator no difference in microbial structure was found, concluding that treatment in accelerated equipment may represent an advantage for a faster and cleaner composting process in a growing number of commercial farms. This work also included the identification of a new enzyme with potential biotechnological application through the sequencing of metagenomic libraries from samples of a waste lagoon of husbandry industry. In this section the lipase Lip720 was identified by in silico analyses, expressed in Escherichia coli and tested for lipase activity with different substrates for fatty acids. This analysis allowed comparison of identification strategy function based with another lipase from the same library. Key-words: composting, bacterial biodiversity, bacterial lipase, metagenomics.
D S ] 6 M ay 2 01 3 Parallel String Sample Sort

We discuss how string sorting algorithms can be parallelized on modern multi-core shared memory machines. As a synthesis of the best sequential string sorting algorithms and successful parallel sorting algorithms for atomic objects, we propose string sample sort. The algorithm makes effective use of the memory hierarchy, uses additional word level parallelism, and largely avoids branch mispredictions. Additionally, we parallelize variants of multikey quicksort and radix sort that are also useful in certain situations.