Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular dynamics simulations of oil components at geological conditions

Modern methods of computational chemistry, including molecular dynamics and quantum mechanics of molecular systems, allow one to obtain accurate values of structural parameters and physicochemical properties of complex systems for a wide range of temperatures and pressures without resorting to experiment. In this work, we explore the effects of physical conditions on densities and viscosities of typical petroleum components, including hexane, octane, dodecane, and octadecane, for temperatures and pressures ranging from ambient conditions (298 K, 1 bar) to geophysical conditions of the upper mantle (2000 K, 60 kbar). Theoretical results are compared with the experimental data and show good agreement in the case of densities and somewhat poorer agreement for viscosities (diffusion coefficients).
Raman and SERS investigations of potassium benzylpenicillin

Raman spectroscopic investigations in combination with density-functional theory (DFT) calculations were performed on the potassium benzylpenicillin (KBP) molecule. The theoretical values of the geometrical parameters and the vibrational wavenumbers were compared with the experimental X-ray diffraction and Raman data and a fairly good agreement was obtained. The SER spectrum of the KBP molecule on silver colloid at pH value of 6 was recorded and analyzed. The adsorbed molecule is bonded to the silver surface through the carboxylate group. The comparison between KBP aqueous solution Raman spectrum and SERS data demonstrates that benzene, beta-lactam, and thiazolidine rings are situated at a relatively large distance to the silver surface and for these rings the electromagnetic mechanism of enhancement can be implied. Copyright © 2006 John Wiley & Sons, Ltd.
Effect of Carbon Supports on Electrocatalytic Reactivity of Au–Pd Core–Shell Nanoparticles

The role of particle-substrate interactions on the reactivity of bimetallic nanostructures is investigated in the case of Au–Pd core–shell nanoparticles supported on Vulcan XC-72R (Vulcan). Core–shell nanostructures (CS) featuring 19 nm Au cores and Pd shells with thicknesses between ca. 1 and 10 nm were synthesized by controlled colloidal methods and subsequently incorporated in the carbon support. X-ray diffraction, energy dispersive X-ray analysis, and high resolution transmission electron microscopy confirmed the CS nature of the nanostructures, which remain unaffected upon incorporation onto the carbon matrix. Their electrochemical properties toward CO and HCOOH electro-oxidation were studied, using cyclic voltammetry and chronoamperometry. The results show that the CO stripping potential becomes independent of the average Pd lattice strain in the case of Vulcan supported CS. This behavior is significantly different to the trend observed in CS assemblies at In-doped SnO2 electrodes. Formic acid oxida.
Determination of Estragole in Fennel Herbal Teas by HS-SPME and GC–MS

Estragole, a volatile phenylpropanoid contained in a variety of edible herbs, has been demonstrated to be genotoxic and carcinogenic, and its addition as a flavoring substance to foodstuffs has been banned by the regulatory bodies of the European Union. Fast and accurate analytical methods for its determination in herbs are thus necessary to assess the dietary exposure of this substance in humans and, in particular, to sensitive groups. In the present study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography–mass spectrometry (GC–MS) was applied for determination of estragole in infusions from different widely used commercial herbal teas based on Foeniculum vulgare (fennel) seeds. The optimized HS-SPME extraction conditions involved the use of a polydimethylsiloxane fiber exposed to the herbal infusion for 20 min at 50°C followed by GC–MS analysis. The method was fully validated for linearity, sensitivity, accuracy, and precision and applied to real samples; the level of estragole in infusions of commercial fennel seed teas was found to be within 50–250 µ`−1.
Synthesis of the (E) and (Z) isomers of the antiestrogen tamoxifen and its metabolite, hydroxytamoxifen, in tritium-labeled form

Both isomers of the potent antiestrogen tamoxifen (1,2-diphenyl-1-(4-(2-(dimethylamino)ethoxy)phenyl)-1-butene: E isomer = ICI-47699; Z isomer = ICI-46474, Nolvadex) and its metabolite, hydroxytamoxifen (1-(4-(2-(dimethylamino)ethoxy)phenyl)-1-(4-hydroxyphenyl)-2-phenyl-1-butene), have been synthesized in a high specific activity, tritium-labeled form by catalytic tritium-halogen exchange performed on brominated precursors. The synthesis of another precursor to labeled tamoxifen which would enable the incorporation of three tritium atoms into the molecule by tritium-halogen exchange is reported.
Comparison of the GFFF and LALLS Methods for the Measurement of Starch Granule Size Distribution in Spring Barley Caryopses

A newly developed method GFFF (Gravitational Field-Flow Fractionation) and the well known method LALLS (Low Angle Laser Light Scattering) were used to assess starch granule size distribution of ten varieties of spring barley. As a distribution criterion, the ratio of starch granule content larger than 8 μm (type A) and smaller than 8 μm (type B) was chosen. Both methods divided the observed set in a similar way. Varieties Akcent, Forum and Atribut formed a variety set with the highest ratio of large and small starch granules. Varieties Scarlet and Kompakt had intermediate ratios. The remaining five varieties Amulet, Novum, Olbram, Tolar and Krona had the lowest ratios of large and small starch granules. Statistical analysis showed that there was a highly significant correlation between the GFFF and LALLS methods.
EXTENDED IRREVERSIBLE THERMODYNAMICS : AN UNFINISHED TASK

Linear irreversible thermodynamics (LIT) has been a very successful theory in describing irreversible phenomena occurring in systems whose states do not deviate appreciably from the equilibrium state, and is well founded both in kinetic theory and in statistical mechanics. The regime where these phenomena occur corresponds to very small wavenumbers and small frequencies, usually referred to as the hydrodynamic regime. The scope and the limitations of LIT are therefore well established. In the past two decades an enormous effort has been made to extend the scope of LIT to incorporate into a logically consistent theory the finite-(k, w) region. Some of these efforts are presently embodied into what is referred to as extended irreversible thermodynamics (EIT). Nevertheless, these theories are far from being well accepted and convincing. The purpose of this paper is to give a very critical discussion of the main ideas behind the best known theories comprising EIT, to point out clearly their accomplishments an.
CORRELATION BETWEEN SCAPULAR MUSCLE ENDURANCE AND CORE MUSCLE ENDURANCE IN SUBJECT WITH CHRONIC SHOULDER PAIN

1Physical Therapist, Outpatient clinic of Physical Therapy, Faculty of Physical Therapy, Cairo University, Egypt 2Lecturer of Physical Therapy, Basic Sciences Department, Faculty of Physical Therapy, Cairo University, Egypt 3Assistant Professor of Physical Therapy, Basic Sciences Department, Faculty of Physical Therapy, Cairo University, Egypt 4Professor of Physical Therapy, Basic Sciences Department, Faculty of Physical Therapy, Cairo University, Egypt
EXPERIMENTAL INVESTIGATION OF POWER TRANSFORMERS PROTECTION USING WAVELETS AND PATTERN RECOGNITION TECHNIQUES

: A few papers have been interested in the experimental investigation for the transformer protection; in this paper a real time laboratory investigation for power transformer protection is presented. A transformer of (5 KVA, 220/110 V) is used to represent a power transformer. The current transducers are used to transfer the primary and secondary current signals of the tested transformer to the data acquisition system connected to pc by sampling frequency of 10 kHz. Lab-View package is used as software. The protection algorithm based on wavelet transform and pattern recognition (support vector machine) as described in [21]. The experimental results indicate that it are compatible with the simulated results and the proposed technique is stable, reliable, and fast during the discrimination between internal and external faults, magnetizing inrush currents, and switching on internal faults, so, the proposed technique can be used in the real time applications.
Wood identification of charcoal with Confocal Laser Scanning Microscopy

Wood identification of barbecue charcoal from commercial packages of three retailers (B1, B2, B3) in Slovenia and Croatia was performed with help of Confocal Laser Scanning Microscopy (CLSM). CLSM enabled us to image key identification features of charcoal wood that were compared with light micrographs of wood from the reference collection. Product B1 contained charcoal made exclusively of beech wood (Fagus sylvatica) and the declaration indicated the address of the producer, in Serbia which allowed traceability of the wood. The selection of wood species in product B2, consisted of red oak (Quercus cerris or Q. rubra), black locust (Robinia pseudoacacia), and cherry (Prunus avium), which could originate from Serbia, and it did not contain tropical wood as stated on the package. Product B3 contained wood from at least four (sub)topical species which could not be exactly identified to species/genus level. The declaration on the product did not allow traceability of wood. As the risks of illegal logging are high for wood of (sub)tropical origin, our results support the initiative that the monitoring of the charcoal trade should be covered by the EUTR - European Timber Regulations.
Biodiversity and distribution of flea (Siphonaptera), rodent (Rodentia), and Crocidura (Insectivora) species associated with plague epidemiology in eastern Zambia

Fleas (Siphonaptera) are important vectors of several animal and human disease pathogens, while rodents are considered as reservoirs of most pathogens, including Yersinia pestis Factors that influence the parasitism rate of fleas, ecological aspects that modulate their distribution, and host-flea relationship in Eastern Zambia remain unknown. Furthermore, there is little information on the biodiversity and abundance of rodents and fleas in the study area. A total of 1212 mammals were sampled and examined. These included rodents (n=329), Crocidura (n=113), domestic pigs (n=254), small ruminants (n=346) and carnivores (n=168), and 1578 fleas, where five species were identified. There were nine genera and species of rodents with one genus of Crocidura captured. The results showed that 27(8.2%) and 19(5.8%) rodents and 8(7.0%) and 2(1.8%) Crocidura were positive for antibodies and pla gene for Y. pestis, respectively. Echidnophaga larina were the most mean abundant (MA=8.58), while Xenopsylla cheopis had the least mean abundant (MA=0.14), nevertheless it was the most infected with Y. pestis. Mastomys. natalensis was highest in plague positivity 31/56, followed by Crocidura spp 10/56 and Rattus rattus 6/56. The results indicated that three flea species were infected with Yersinia pestis. Shannon-Weiner (H) and dominance (D) indices of rodents were 1.5 and 0.2789, while the flea indices were 0.5310 and 0.8389, respectively. There was a strong association between richness of fleas and plague disease (p=0.01; x2=65.3). It’s established that rodents were more biodiversity than fleas while both were unevenly distributed. It’s recommended that control measures of fleas be intensified and sustained to lessen the spread of their associated diseases.
CULTIVAR, HARVEST LOCATION AND COLD STORAGE INFLUENCE FRUIT SOFTENING AND ANTIOXIDATIVE ACTIVITIES OF PEACH FRUIT (PRUNUS PERSICA (L.) BATSCH.)

Fruit softening and quality management is very important to reduce postharvest losses in peach. Present study was conducted to observe the effect of cultivars and harvest locations on peach fruit softening and quality during ripening following cold storage. Fruits of two peach cultivars Prunus persica (L.) Batsch. , harvested from two different locations were evaluated at ripening for their postharvest fruit softening and quality after 28 days of low temperature storage. Fruit harvested from Sillanwali exhibited significantly higher ethylene production, respiration rate, fruit weight loss, ascorbic acid contents, activities of fruit softening enzymes [endo-polygalacturonase (endo-PG), exo-polygalacturonase (exo-PG)] and significantly lower fruit firmness, ground colour, soluble solid contents (SSC), SSC:TA, total phenolic contents (TPC), antioxidant scavenging activity (ASA), activities of catalase (CAT), peroxidase (POD), superoxide dismutase (SOD), and pectin esterase (PE) enzymes as compared to fruit harvested from Soan Valley. Peach cv ‘Early Grand’ showed significantly higher ethylene production, respiration rate, ascorbic acid contents, activities of CAT, endo-PG and exo-PG enzymes, whereas lower fruit weight loss, fruit firmness, SSC, SSC:TA, TPC, ASA, activities of POD, SOD, PE and enzymes than ‘Flordaking’. Harvest location and cultivar significantly influenced various physico-chemical attributes including activities of various fruit softening and antioxidative enzymes in peach fruit during ripening after low temperature storage.
A STUDY OF PATTERN OF PERIPHERAL NEUROPATHY IN SYMPTOMATIC DIABETICS AND ITS CORRELATION WITH DIABETIC NEUROPATHY SYMPTOM SCORE Dr. B, Madhukiran reddy

INTRODUCTION Diabetic neuropathy is a heterogeneous condition that occurs in different forms. It may develop in proximal or distal nerve bers, may take the form of mononeuritis or entrapments involving small or large bers and may affect the somatic or autonomic nervous system(1). Distal symmetric polyneuropathy,a chronic, nervelength–dependent, sensorimotor polyneuropathy(2,3 )affects at least one-third of persons with diabetes mellitus and nearly one-quarter of persons with impaired glucose tolerance.The prevalence of neuropathy varies from 1.55% to 100% in patients with type 2 diabetes based on the difference in screening approaches, diagnostic criteria and study population(4). At the time of diagnosis, up to 7.5% of diabetic patients have clinical neuropathy.The scientic rationale studies about the diabetic peripheral neuropathy are less in the Indian context , hence it is essential to know about it because literature regarding research is far from complete and with paucity. Early identication and screening of neuropathy provide a paramount option for the patient with diabetes to actively set the course of suboptimal glycemic control to recommend targets before the onset of signicant morbidity currently. this study will evaluate the various patterns of peripheral neuropathy in people with diabetes and their correlation with diabetic neuropathy symptom score.
Influences of Reciprocity on a Consumer Boycott in an Experiment

By conducting a boycott experiment, this paper studied whether the reciprocity of consumers affects boycott decision. The boycott experiment is a two-stage post-offer market game, in which a seller first decides an asking price and then consumers decide to purchase goods after observing the asking price. To find the effect of reciprocity on consumer's purchase decision, the level of information provided to the consumers corresponding to the previous asking price and another consumer's boycott history, on average, was modified. Consequently, the sellers lowered the asking price with the belief that disclosing additional information about their previous profit fractions decreases the consumer's purchase frequency. Moreover, consumers' purchase frequency is affected by both the given value of the goods and the asking price, but not by the different levels of information provided. Therefore, the consumers appear to have no reciprocity preferences on a boycott.
The Personal Touch in Customer Contact: The Influence of a Personal Approach on Customer Relationships and Customer Experience

Customer-supplier relationships are becoming more digital. However, a personal approach still seems to be a key success factor in the service journey, creating an optimal customer experience. In this research, we investigated the effects of a personal communication approach on customer experience and customer relationship. The personal touch was operationalised in two studies focusing on written forms of communication (Study 1) and spoken forms of communication (Study 2) amongst customers of an energy company. Both studies show that a personal tone of voice in customer contact results in a more positive customer experience (in terms of consumption emotions, customer satisfaction and recommendation intention). However, it does not impact the long term relationships between service provider and customers. Customers do not adjust previously built relationship norms when they are approached in a more or less personal way, as long as the chosen approach does not violate relationship norms. The research is relevant for organisations interested in the effects of a more personal approach in customer contact. The paper combines existing theories on customer experience and customer communication with the existing theories on relational models.
Arabic in a t module at the International Peace College South Africa (IPSA). IPSA is a higher education Islamic institution that was accredited by the Department of Education in South Africa

The study investigates the use of a blended learning approach for teaching Arabic as a foreign language at a South African Islamic college in the light of the South African National Qualifications Framework level descriptors and their critical cross-field outcomes. In particular, the approach has been used for teaching a Module in an undergraduate BA programme during the second semester of the academic year 2018-2019 at the International Peace College South Africa (IPSA). The college adopts a content and language integrated approach for teaching Arabic. The study concluded that the use of a technology-enhanced blended approach using Web 2.0 tools and Learning Tools (with full) Interoperability (LTI 2.0) (e.g. gamification) plays a vital role in motivating the learners and in the achievement of critical cross-field outcomes of each NQF level including, subject knowledge, critical thinking and problem solving, communication, teamwork and self-management among others. The study is part of an action research project that also includes the design of a syllabus for teaching Arabic for S ri’ purposes in the South African context and the attitudes of learners towards it.
Study the Level of Air Pollution from Al Hassan Industrial Estate in Irbid-Jordan

Air pollutants, including PM2.5, SO2, NOX and CO, were measured in Al-Hassan industrial estate (HIE) in Irbid Governorate, 72 Km north of Amman. Data relating to pollution in HIE has been collected from all sources that had measured the level of pollution in this area during the period from Nov.2010 to Nov.2011. The effects of local meteorological conditions were studied by statistical analysis. The main results of the study show that the gaseous pollutants levels monitored were low and no exceedances to the Jordanian standards limit of the ambient air no. 1140/2006 for NO2, SO2 and CO limits. It has, indeed, shown that PM2.5 levels exceeded the daily limit specified in the Jordanian Standards. This might be attributed to the prevailing Khamasin winds, which become active in spring, especially between April and May, in addition to the high temperature and the low average of rainfall and the lack of humidity, thus helping the increase of the suspended air in the atmosphere.
Are there Tourists Amongst us? A Participant-Centred Appraisal of an International Competitive Football Tournament in Malta

In Malta, there is an active history of both governmental and non-governmental organisations who strive to organise a variety of sports activities. Often, participation in sport, particularly among young persons, is seen as a means to enhancing participants' emotional self-regulation, self-esteem, and problem-solving capabilities, although it is also used as a crime-prevention strategy particularly in neighbourhoods which are characterised by crime and anti-social behaviour. This paper explores what football players, their coaches, and other officials who accompanied the young participants in an international football tournament, specifically the Union of European Football Association (UEFA) Under-17 tournament, believe they derived from this tournament. It also explores the manner in which different teams and cultures portray themselves, and the wider social and cultural influences that are believed to have a bearing on their perceptions. The paper is of particular interest to people who operate in the field of youth tourism since it promotes a greater understanding of the outcomes (personal, social, economic, etc.) that both local and foreign players, participating in a football tournament of international importance perceive as outcomes.
Normalization of Predominant and Long-tail Bacterial Entities with a Hybrid CNN-LSTM and Knowledge-Driven Model

As part of our ongoing effort to construct a biomedical knowledge base [3], we have recently focused on the normalization of bacterial entities. In contrast to other widely studied biomedical entities, such as diseases, we found that bacteria normalization poses unique challenges, primarily due to the skew of the ground truth data available. In this work, we describe the issues and explain the techniques that we used to address them. To perform bacteria normalization, we started by employing PubTator [2]—a large dataset of bacterial entities—to train a deep learning normalization model. However, PubTator is mostly comprised of a few predominant bacterial species, as shown in Figures 1 and 2. As a result, our normalization model, while performing well on the common bacteria names appearing in PubTator, failed to correctly map other less common bacteria names. To address this issue we employed two approaches: First, we created a new annotated dataset, called MDAD (Microbes and Diseases Annotation Dataset). While significantly smaller than PubTator (containing 1.9K vs the 38K bacteria mentions of the latter), MDAD is more representative of general bacteria names, as it is based on the more uniform Disbiome dataset [1]. Therefore, it serves as a better evaluation dataset. Second, we combined our deep learning model with a knowledge-driven approach into a hybrid model that targets both common and rare entities. This is based on our observation that predominant bacteria show notable variability in the naming with 10.97±13.04 surface forms per concept on average, while long-tail bacteria have an average of 1.29±0.65 with most mentions using the preferred name. Our deep learning model is a character-based CNN-LSTM to model the variability of predominant bacteria. Our Knowledge-Driven method leverages Levenshtein distance and abbreviation resolution to deal with long-tail bacteria. Each of these models was found to perform well for their target bacteria but performed poorly otherwise. Therefore, we created a hybrid model, which covers all bacteria by smartly combining the two models. It achieves 96% accuracy for test data containing both predominant and long-tail bacteria, substantially outperforming individual models in isolation. The performance results of the hybrid model and its components are shown in Figure 3.