Miracle-dz/UniFAR-FTUs huggingface dataset:
A two-dimensional coordination network assembled from manganese(II) and 1,4-phenyl­enediacetate

The manganese(II) coordination polymer, poly[bis­(2,2′-bipyridine)tris­(μ-1,4-phenyl­enediacetato-κ4O,O′:O′′,O′′′)­tri­manganese(II)], [Mn3(C10H8O4)3(C10H8N2)2]n, consists of linear trinuclear building blocks with two crystallographically unique Mn atoms. One MnII ion and the geometric centre of one 1,4-phenyl­enediacetate ligand in the trinuclear unit both lie on inversion centres. Trinuclear units are bridged by 1,4-phenyl­enediacetate ligands to yield a two-dimensional network which stacks into a three-dimensional supra­molecular structure via π–π stacking inter­actions.
Motion of small gold clusters in the electron microscope

The rapid motion of small (∼1000 atom) gold clusters observed with atomic resolution in the electron microscope is argued to be the result of brief melting events, triggered by the Auger decay of an M‐shell vacancy created in a gold atom within the cluster. Each molten episode lasts ∼10 ps, too short for noticeable evaporation. The observed frequency of motion events is shown to be consistent with ionization cross sections for the gold M shell and the electron current densities employed. It is argued from the lack of observable evaporation that the steady‐state temperature of the clusters is ≤1100 K, well below the melting point. The model correctly predicts the cessation of motion at a particle diameter ∼8 nm, when a single Auger decay can no longer melt the cluster.
Effects of the chromic acid etching on propylene polymer surfaces

The chromic acid etching of three propylene polymers has been investigated by contact angle measurement, X-ray photoelectron spectroscopy (XPS), attenuated total reflection infrared (ATR-IR), scanning electron microscopy (SEM), and an adhesion test. It has been shown that etching with such an oxidative acid has a much more significant effect on the receding contact angle than on the advancing contact angle of a test liquid. Significant water and diiodomethane contact angle hystereses were found and were attributed mainly to surface chemical heterogeneity caused by the acid etching. Surface roughness resulting from the etching may also account for the contact angle hystereses in some cases. The acid etching significantly increased the surface oxygen concentration of all three polymers. Chemical derivatisation with trifluoroacetic anhydride (TFAA) and hydrazine have indicated that the acid etching introduced C=O/COOH but there is no evidence of -OH groups on the polymer surfaces. The adhesion level of the p.
Resolving the structure of a model hydrophobic surface: DODAB monolayers on mica

The properties and interactions of hydrophobic surfaces in water are determining factors in a wide range of industrial applications, and represent a fundamental scientific problem that is far from solved. Langmuir–Blodgett (LB) lipid monolayers have often been used as model hydrophobic surfaces, but are only metastable, which compromises the interpretation of experiments. Using frequency-modulation atomic force microscopy (FM-AFM), we find that LB-deposited monolayers of dioctadecyldimethylammonium bromide (DODAB) on mica undergo two transitions upon immersion in water: (i) a rapid molecular rearrangement from a complete monolayer coverage to a more densely packed monolayer with holes exposing the mica substrate, followed by; (ii) a gradual flipping of lipids in the monolayer to form bilayers, at a timescale of many days, orders of magnitudes slower than previously reported. The (meta)stability of the monolayer shows little dependence on the deposition pressure (5–25 mN m−1), but strongly depends on the cleanliness of the preparation and, in AFM experiments, is reduced from days to minutes when the force applied by the AFM tip is not kept to well below 1 nN. When properly prepared and analysed, the DODAB/mica surface thus yields a well-defined structure of sufficient stability to study intersurface forces, albeit with a heterogeneity that gives rise to very distinct forces above the bare mica on one hand, and on the monolayer and bilayer areas on the other.
A new threatened species of Euphorbia sect. Goniostema (Euphorbiaceae) from northern Madagascar.

Castillon, J.-P. & J.-B. Castillon (2018). A new threatened species of Euphorbia sect. Goniostema (Euphorbiaceae) from northern Madagascar. Candollea 73: 187–191. In French, English and French abstracts. DOI: http://dx.doi. org/10.15553/c2018v732a2Euphorbia longitubicinicyathium J.-P. Castillon & J.-B. Castillon (Euphorbiaceae), a new species from northeastern Madagascar is described and illustrated with field photographs. The new species belongs to Euphorbia sect. Goniostema Baill. ex Boiss. and is morphologically related to non thorny species of the east coast of Madagascar (e.g. Euphorbia geroldii Rauh, Euphorbia robivelonae Rauh or Euphorbia thuarsiana Baill.) but differs by its larger dimensions, its habit and its long trumpet shaped cyathia.
Na-ion batteries, recent advances and present challenges to become low cost energy storage systems

Energy production and storage have become key issues concerning our welfare in daily life. Present challenges for batteries are twofold. In the first place, the increasing demand for powering systems of portable electronic devices and zero-emission vehicles stimulates research towards high energy and high voltage systems. In the second place, low cost batteries are required in order to advance towards smart electric grids that integrate discontinuous energy flow from renewable sources, optimizing the performance of clean energy sources. Na-ion batteries can be the key for the second point, because of the huge availability of sodium, its low price and the similarity of both Li and Na insertion chemistries. In spite of the lower energy density and voltage of Na-ion based technologies, they can be focused on applications where the weight and footprint requirement is less drastic, such as electrical grid storage. Much work has to be done in the field of Na-ion in order to catch up with Li-ion technology. Cathodic and anodic materials must be optimized, and new electrolytes will be the key point for Na-ion success. This review will gather the up-to-date knowledge about Na-ion battery materials, with the aim of providing a wide view of the systems that have already been explored and a starting point for the new research on this battery technology.
Fluid flow pattern and solids circulation rate in a liquid phase spout-fluid bed with draft tube

On a etudie le profil d'ecoulement du fluide et la vitesse de circulation des solides dans un lit jet-fluide en phase liquide muni d'un tube d'aspiration a l'aide d'une colonne semi-circulaire de 196 mm de diametre munie d'un tube d'aspiration semi-circulaire de 34,5 mm de diametre et avec de l'eau et des particules de verre spheriques de 1,20, 194 et 2,98 mm de diametre. Tant la vitesse de circulation des solides que la distribution du fluide entre le tube d'aspiration et l'espace annulaire sont influencees par l'emplacement du tube d'aspiration, la grandeur relative du jet a l'entree, les debits de l'espace annulaire ainsi que le debit total du fluide a l'entree du lit. Un modele unidimensionnel permanent d'un ecoulement liquide-solides vertical sans effet accelerant permet de predire le flux massique des solides dans le tube d'aspiration avec un ecart type de 12,3% lorsque les valeurs experimentales des gradients de pression axiaux du tube d'aspiration et de l'espace annulaire sont precisees. On presente egalement une correlation simple pour la hauteur de fontaine
Biocompatibility Studies of Functionalized CoFe2O4 Magnetic Nanoparticles

CoFe2O4 nanoparticles of different sizes were synthesised by controlling the digestion time using precipitation method and were characterised by X-ray diffraction, transmission electron microscopy, dynamic light scattering, and vibrating sample magnetometer. The average crystalline size increases from 13.9 to 19 nm as the digestion time is increased from 1.3 to 120 minutes. The CoFe2O4 nanoparticles were coated with two biological polymers, namely polyvinyl alcohol (PVA) and polyethylene glycol (PEG) at various ra- tios to enhance their biocompatibility. Coated nanoparticles were analysed for their cytotoxicity by MTT assay against 3T3-L1 adipo- cytes. Coated nanoparticles were found to be less cytotoxic when compared to uncoated one. The cell viability decreased as the concen- tration of the polymer (either PVA or PEG) coating increased. Cell viability decreases as the concentration of nanoparticle increases. At 5 μg/ml the cell viability with PEG coated nanoparticles (1:4) was 92.5%, with PVA coated nanoparticles (1:4) was 82.7% and with un- coated nanoparticles it was 46.4%. As the ratio of biopolymers (PVA and PEG) to nanoparticle increases, the viability of the cell in- creases. The difference between the effect of these two polymers increases as the concentration of the nanoparticle decreases. The anti- inflammatory properties of these nanoparticles were determined by RTPCR by measuring the two pro-inflammatory cytokines (namely tumor necrosis factorand IL6). TNF-� and IL6 were upregulated by 3.57- & 2.86 folds their base level with uncoated nanoparticles. Whereas it was upregulated by 1.54- & 1.68-folds with PEG coated and 1.9- & 2.18-folds with PVA coated nanoparticles. Thus the coated nanoparticles can be used for further biological experiments including magnetic resonance imaging, and in targeted drug delivery systems for various diseases. Keyword: Nanoparticles, biocompatibility, inflammatory response, polyvinyl alcohol, polyethylene glycol.
Optoelectronic properties of Cd1−xZnxTe films grown by molecular beam epitaxy on GaAs substrates

Photoluminescence (PL) experiments were carried out at 300 and 12 K to investigate the electro‐optical properties of Cd1−xZnxTe grown by molecular beam epitaxy on GaAs substrates. The compositional dependence of the band‐gap energy was determined. It has a quadratic dependence on x. The near band edge PL spectra at 12 K show free and bound exciton lines for x=0 and 1 and only broadened bound exciton peaks for other compositions. The bound exciton broadenings are quantitatively explained based on the compositional fluctuations of the cations. The PL line shapes give indications of the high quality of the layers.
Real-Time Deep Learning Based Credit Card Fraud Detection

: Credit card fraud detection poses several difficulties in real-time due to the complexities involved in the domain. An effective machine learning model that handles the complexities involved in the data is mandatory. This work presents an effective deep learning based architecture called the DLFD for effective detection of frauds in credit card transactions. The architecture operates on the input data performing automatic preprocessing, feature selection and bias elimination to provide qualitative data for the training process. Experiments were performed on the BankSim data and results and comparisons indicate high efficiency in the prediction process. The proposed DLFD model exhibits improved fraud detection rates at 8.7% and reduced FNR levels at 5%, exhibiting the high performing nature of the model.
GC-MS PROFILING FOR THE DETECTION OF BIO-ACTIVE COMPOUNDS IN EUGENIA ROXBURGHII AND THEIR ACTIVITY AGAINST DIFFERENT MICROBES

Eugenia roxburghii DC. is an underutilized plant with immense medicinal benefits under the family Myrtaceae. The plant is distributed in tropical coastal areas of India and Srilanka. Most of this plant species is used in curing of diabetes, piles, diarrhoea, and dysentery and has anticancer and antibacterial activity. Like other Eugenia species, the plant has several phytochemicals and secondary metabolites, which attribute for the medicinal property of the plant. In order to find the active principles present in the plant, GC-MS analysis was carried out by taking the methanolic extract of Eugenia roxburghii fresh leaves. Twenty eight compounds were identified from the analysis out of which the major compounds were Caryophyllene, trans--Bergamotene, 1,4,7,-Cycloundecatriene, 1,5,9,9-tetramethyl-, Z,Z,Z-, “Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl4-(1-methylethyl)-, (1S-cis)-,-Cubebene, 13-Docosenamide, (Z)-,”2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3phenyl-, (E)etc. However, Caryophyllene was one of the most abundant compounds with highest percentage (45.93%) of peak area. The methanolic leaf extract of E. roxburghii was further tested against strains of multidrug resistant bacteria and found exhibition of antimicrobial activity. So the present investigation about the identification and chemical fingerprinting of Eugenia speciescan help in proper utilization of Eugenia roxburghii in food, nutraceutical and pharmaceutical industries.
A novel ex vivo porcine model of acid-induced esophageal damage for preliminary functional evaluations of anti-gastroesophageal reflux disease medical devices

Aim: The aim of the study was to set up a porcine ex vivo model of acid-induced damage and to evaluate its performance by means of multichannel intraluminal impedance and pH (MII-pH) live recording, histology, and Evans blue (EB) permeability assay. Materials and Methods: Thirteen esophagi, collected at a slaughterhouse, were ablated of their sphincters, pinned upright on a support, and placed in a thermostatic hood at 37°C with two infusion tubes and an MII-pH probe inserted in the top end. Three esophagi (histology controls) were only left in the hood for 3.5 h before sampling, while the remaining organs underwent the experimental protocol including saline infusion and recovery recording, and acid solution infusion and recovery recording. Results: MII-pH analysis highlighted a significantly stronger decrease during acid infusion when compared to saline, but a better post-infusion recovery for saline solution. At the end of the protocol, MII was still statistically lower than baseline. The acid-damaged esophagi significantly absorbed more EB dye, and histology revealed strong mucosal exfoliation. Conclusion: The proposed model of esophageal acid damage seems to be repeatable, reliable, and achievable using organs collected at the slaughterhouse. MII recording proved to have good sensitivity in detecting mucosal alterations also in ex vivo trials.
Thermodynamic considerations in refractory metal-silicon-oxygen systems

Thermodynamic considerations in thin‐film reactions involving refractory metals, refractory metal silicides, silicon, and silicon dioxide are described using ternary phase diagrams. Calculated metal‐silicon‐oxygen phase diagrams for Mo, W, Ta, and Ti are used to explain the reactivity of the metal with silicon dioxide, the effectiveness of native oxide in preventing metal‐silicon interdiffusion, and the formation of silicon dioxide in preference to metal oxides during silicide oxidation. Distinctions are drawn between experimental results which can be explained solely on thermodynamic grounds and those requiring consideration of both thermodynamic and kinetic factors.
NILC at WebNLG+: Pretrained Sequence-to-Sequence Models on RDF-to-Text Generation

This paper describes the submission by the NILC Computational Linguistics research group of the University of São Paulo/Brazil to the RDF-to-Text task for English at the WebNLG+ challenge. The success of the current pretrained models like BERT or GPT-2 in text-to-text generation tasks is well-known, however, its application/success on data-totext generation has not been well-studied and proven. This way, we explore how good a pretrained model, in particular BART, performs on the data-to-text generation task. The results obtained were worse than the baseline and other systems in almost all automatic measures. However, the human evaluation shows better results for our system. Besides, results suggest that BART may generate paraphrases of reference texts.
High‐Pressure Cinnabar‐Like Phases in III–V Compounds

We summarize the results of a pseudopotential study of the high-pressure stability and electronic structure of the “cinnabar” structure (space group P3121) in several III–V compounds, carried out within the framework of the ab initio density-functional theory with the local density approximation. Here we particularly focus on the dependence of the total energy of this structure on the internal parameters, and relate the stability of the form of the cinnabar structure observed experimentally in GaAs — and theoretically predicted for other III–V compounds on the basis of our results — to an increase of symmetry (to space group P6222) at a certain special value of the internal parameters. The agreement with the available experimental results for “cinnabar”-GaAs is very good.
Linear Poly(arylene ether)s with Pendant Phenylsulfonyl Groups: Nucleophilic Aromatic Substitution Activated from the Meta Position

The synthesis, characterization, and nucleophilic aromatic substitution (NAS) behavior of 3,5-difluorophenyl sulfone, 3, are reported. The reactivity of the electrophilic sites, activated by only a phenylsulfonyl group located in the meta position, in 3 was probed via NMR spectroscopy and model reactions and was determined to be sufficient to undergo NAS reactions. Displacement of the first fluoride atom in 3, with the phenoxide ion derived from p-cresol, resulted in a significant decrease in reactivity for displacement of the second fluoride atom, however, not to such an extent as to prevent its displacement under more vigorous conditions. Confirmation of an SNAr mechanism was provided by 1H and 13C NMR data on the model compounds. High molecular weight, amorphous poly(arylene ether)s, bearing a pendant phenylsulfonyl group, were prepared via the reaction of 3 with a variety of bisphenols under typical NAS conditions. The glass transition temperatures (Tg) ranged from 136 to 175 °C while the 10% weight l.
Translation Validation for the LLVM Compiler

Compilers can have many bugs and miscompile, often resulting in unintended program behavior not specified by the original program. Translation validation is a technique that verifies the correctness of compilation given the source and target code. We extend Alive [1] to 1) reduce the SMT formula sizes generated to improve performance and 2) significantly increase analysis coverage with a new loop unrolling algorithm for loops written in Alive IR. Since the LLVM compiler is susceptible to miscompilation we do not use any loop unroll mechanisms available in LLVM. We evaluate our main contribution by measuring the increase of both block and path coverage for a large number of programs. We have been able to reduce Alive execution time with our SMT formula reduction algorithms and find multiple bugs in the LLVM compiler using our loop unrolling algorithm. Finding and fixing these bugs is essential to reducing the likelihood of miscompilation in LLVM.
Instrumentalist logic of scientific discovery: reflections on Dewey’s method and its metaphysical foundations

У цій роботі я намагаюся прояснити сутність філософії Дьюї: його метод (денотативний метод (ДМ) / структуру дослідження (СД)). Незважаючи на традиційне розуміння Дьюї як анти-фундаменталіста, я хочу показати, що, насправді, його метод мав метафізичні основи: принцип тяглості або теорію емерджентизму. Я також обґрунтовую, що метафізичну позицію Дьюї краще називати «культурним емерджентизмом», аніж його терміном «культурний натуралізм». Те, що Дьюї називав «здоровим глуздом» у своїй «Логіці», Гуссерль позначав терміном «життєвий світ» у «Кризі». Я порівнюю два погляди на розуміння цього явища і роблю висновок, що для Дьюї різниця між природничими науками та здоровим глуздом полягає у предметі, а не в методі. Отже, мета полягає у тому, щоб знайти уніфікований метод, який застосовуватиметься в обох сферах. Тоді як Гуссерль був більш песимістичним: для нього різниця полягала не тільки в предметі, а й у самих методах. Услід за цим обговоренням, я також зробив спробу переформулювати важку проблему свідомості у термінах Дьюї. Насамкінець, я порівнюю ДМ / СД Дьюї з попперівським розумінням наукового методу і роблю висновок, що між ними немає значної різниці, і що метод Дьюї також можна розглядати як гіпотетико-дедуктивний, з єдиною різницею в акцентах.
Highly Transparent and Low Resistivity Al-Doped ZnO Thin Films Grown by Pulsed Laser Deposition under Different Oxygen Flow Rates

Polycrystalline Al-doped ZnO (AZO) thin films with a thickness of 1300 Å were grown on Corning 1737 glass by pulsed laser deposition (PLD) at a low substrate temperature. The presence of oxygen gas during deposition led to a remarkable enhancement of the (002) c-axis preferential orientation as well as increased crystallite size. Highly transparent films with a transmittance of 85% could be obtained by controlling the oxygen flow rate, while causing a Burstein-Moss shift toward a shorter wavelength as well. The resistivities of the films were found to be functions of both the oxygen flow rate and substrate temperature, with the lowest value being 2.3 x 10-4 Ωcm (18Ω/sq sheet resistance). It was found that both the oxygen flow rate and substrate temperature are crucial in order to grow superior device quality films with an appropriate degree of crystallinity, less surface roughness, high transmittance and low resistivity, which are characteristics of great technological importance.
CFD simulation of a membrane distillation module channel

The interest towards the use of membrane distillation (MD) processes for seawater desalination has been rising recently due to the ease of coupling MD with waste and/or solar thermal energy. Notwithstanding the flexibility of the process and its potential for further developments in membrane performances, one of the main drawbacks is the thermal efficiency reduction caused by temperature polarization. Because of such phenomenon, only a small amount of the driving force potentially available for the separation process, i.e. the temperature difference between evaporating and condensing fluids, is actually used for the separation. In order to reduce temperature polarization a study on the effects of spacer and channel geometry has been performed using computational fluid dynamics (CFD) techniques. A simple reference geometry has been built to simulate the flow and temperature fields of a portion of a spiral wound MD module channel. Results show how spacers can significantly affect temperature gradients withi.
Anti-cancer Properties of Green Tea Probed Viaquantum Mechanics Calculations

Tea, from the plant camellia sinensis, is consumed in different parts of the world as green, black or oolong tea. Among all of these, however, the most significant effects on human health have been observed with the consumption of green tea. Green tea contains polyphenols, which include flavanols, flavandiols, flavonoids, and phenolic acids. Most of the green tea polyphenols (GTPs) are flavonols, commonly known as catechins. There are four kinds of catechins mainly find in green tea: epicatechin, epigallocatechin, epicatechin-3-gallate, and EGCG. Green tea catechins have demonstrated significant antioxidant, anticarcinogenic, anti-inflammatory, thermogenic, probiotic, and antimicrobial properties in numerous human, animal, and in vitro studies. In the present study, four type catechins of green tea were studied. For each catechin ab initio method was employed for calculations and related parameters were computed.