Miracle-dz/UniFAR-FTUs huggingface dataset:
Reaction path sampling of the reaction between iron(II) and hydrogen peroxide in aqueous solution

Previously, we have studied the coordination and dissociation of hydrogen peroxide with iron(II) in aqueous solution by Car-Parrinello molecular dynamics at room temperature. We presented a few illustrative reaction events, in which the ferryl ion ([Fe(IV)O]2+) was formed either by a rebound mechanism or by a two-step mechanism via an iron(IV)dihydroxo intermediate, depending on the starting configuration, which was from either separated reactants or H2O2 already coordinated to the Fe2+ ion, respectively. In the present work, we test if the illustrative reaction events are indeed representative ones. This is done by generating two sequences of 10 reactive pathways each, using the transition path sampling technique, taking as the initial trajectory the previous reactive pathway which followed the rebound mechanism. Along the generated sequence of reaction pathways, we observed (a) decreasing lifetimes of the intermediate OH• radical, and (b) a change in the reaction mechanism toward the two-step mechanism .
Purpleback Flying Squid Sthenoteuthis oualaniensis in the South China Sea: Growth, Resources and Association with the Environment

The purpleback flying squid (Ommastrephidae: Sthenoteuthis oualaniensis) is an important species at higher trophic levels of the regional marine ecosystem in the South China Sea (SCS), where it is considered to show the potential for fishery development. Accordingly, under increasing climatic and environmental changes, understanding the nature and importance of various factors that determine the spatial and temporal distribution and abundance of S. oualaniensis in the SCS is of great scientific and socio-economic interest. Using generalized additive model (GAM) methods, we analyzed the relationship between available environmental factors and catch per unit effort (CPUE) data of S. oualaniensis. The body size of S. oualaniensis in the SCS was relatively small (<19.4 cm), with a shorter lifespan than individuals in other seas. The biological characteristics indicate that S. oualaniensis in the SCS showed a positive allometric growth, and could be suitably described by the logistic growth equation. In our study, the sea areas with higher CPUE were mainly distributed at 10°–11° N, with a 27–28 °C sea surface temperature (SST) range, a sea surface height anomaly (SSHA) of −0.05–0.05 m, and chlorophyll-a concentration (Chl-a) higher than 0.18 μg/L. The SST was the most important factor in the GAM analysis and the best fitting GAM model explained 67.9% of the variance. Understanding the biological characteristics and habitat status of S. oualaniensis in the SCS will benefit the management of this resource.
Insights into the Thermal History of North-Eastern Switzerland—Apatite Fission Track Dating of Deep Drill Core Samples from the Swiss Jura Mountains and the Swiss Molasse Basin

This work presents new apatite fission track LA–ICP–MS (Laser Ablation Inductively Coupled Plasma Mass Spectrometry) data from Mid–Late Paleozoic rocks, which form the substratum of the Swiss Jura mountains (the Tabular Jura and the Jura fold-and-thrust belt) and the northern margin of the Swiss Molasse Basin. Samples were collected from cores of deep boreholes drilled in North Switzerland in the 1980s, which reached the crystalline basement. Our thermochronological data show that the region experienced a multi-cycle history of heating and cooling that we ascribe to burial and exhumation, respectively. Sedimentation in the Swiss Jura Mountains occurred continuously from Early Triassic to Early Cretaceous, leading to the deposition of maximum 2 km of sediments. Subsequently, less than 1 km of Lower Cretaceous and Upper Jurassic sediments were slowly eroded during the Late Cretaceous, plausibly as a consequence of the northward migration of the forebulge of the neo-forming North Alpine Foreland Basin. Following this event, the whole region remained relatively stable throughout the Paleogene. Our data show that the Tabular Jura region resumed exhumation at low rates in early–middle Miocene times (≈20–15 Ma), whereas exhumation in the Jura fold-and-thrust belt probably re-started later, in the late Miocene (≈10–5 Ma). Erosional exhumation likely continues to the present day. Despite sampling limitations, our thermochronological data record discrete periods of slow cooling (rates of about 1°C/My), which might preclude models of elevated cooling (due to intense erosion) in the Jura Mountains during the Miocene. The denudation (≈1 km) of the Tabular Jura region and the Jura fold-and-thrust belt (≈500 m) has provided sediments to the Swiss Molasse Basin since at least 20 Ma. The southward migration of deformation in the Jura mountains suggests that the molasse basin started to uplift and exhume only after 5 Ma, as suggested also by previous authors. The data presented here show that the deformation of the whole region is occurring in an out-of-sequence trend, which is more likely associated with the reactivation of thrust faults beneath the foreland basin. This deformation trend suggests that tectonics is the most determinant factor controlling denudation and exhumation of the region, whereas the recently proposed “climate-induced exhumation” mechanism might play a secondary role.
Active and Passive Suspension System Performance under Random Road Profile Excitations

Passive suspensions are designed to satisfy the conflicting criteria of riding comfort and vehicle handling. An active suspension system attempts to overcome these compromises to provide the best performance for vehicle control. Different types of mathematical models have been used to study the suspension system of a vehicle. The quarter vehicle model is used for initial investigation. Later, the half vehicle and full vehicle models are used for the study, which is closer to the actual model of a vehicle suspension. In this paper, the behavior of a suspension system is analyzed using the full vehicle model. In the current work, the dynamic equation and their state-space formulation are presented for the full vehicle model to understand the system prior to the controller design. The open-loop response of the full vehicle suspension system, when subjected to various road excitations, is also studied. The procedure of modeling a SIMULINK model for passive suspensions system is discussed in detail. Design of the simple Proportional Integral Derivative (PID) feedback and feed-forward controller is presented for the active suspension system using transfer functions. Closed-loop transfer functions are also derived and their responses are plotted. To analyze the rollover behavior simulation for cornering is also performed in the current study.
Improving multi-class EEG-motor imagery classification using two-stage detection on one-versus-one approach

The multi-class motor imagery based on Electroencephalogram (EEG) signals in Brain-Computer Interface (BCI) systems still face challenges, such as inconsistent accuracy and low classification performance due to inter-subject dependent. Therefore, this study aims to improve multi-class EEG-motor imagery using two-stage detection and voting scheme on one-versus-one approach. The EEG signal used to carry out this research was extracted through a statistical measure of narrow window sliding. Furthermore, inter and cross-subject schemes were investigated on BCI competition IV-Dataset 2a to evaluate the effectiveness of the proposed method. The experimental results showed that the proposed method produced enhanced inter and cross-subject kappa coefficient values of 0.78 and 0.68, respectively, with a low standard deviation of 0.1 for both schemes. These results further indicated that the proposed method has an ability to address inter-subject dependent for promising and reliable BCI systems.
Kinetic instability of spin waves in thin ferrite films

For normally and tangentially magnetized iron-yttrium garnet films 16-30 μm thick, we studied experimentally the kinetic instability (KI) of spin waves parametrically excited by parallel pumping. The regions of constant magnetic fields where KI is allowed were thus determined, as were the KI formation thresholds in these regions. It was found that in comparison with solid single-crystal samples, the kinetic instability in films has a number of characteristics related to those of the spin-wave spectra of the films
Use of parathyroid hormone analog (Teriparatide) in patients with chronic hypoparathyroidism after total thyroidectomy: a case report

Background: Hypoparathyroidism and hypocalcemia is a common postoperative complication, after total thyroidectomy due to thyroid cancer. Standard treatment with supplementation of calcium and vitamin D analogs, usually treat this condition. In some patients, hypoparathyroidism is refractory to standard treatment plus intermittent calcium infusions with persistent low serum calcium levels and associated clinical complications. Attempts have been made to add recombinant human parathormone (rhPTH) to the treatment schedule. To our knowledge, this is the first time that we encounter a patient suffering from treatment-refractory postsurgical hypoparathyroidism who was treated with teriparatide. Case presentation: Male (31 years) with postoperative hypoparathyroidism, after total thyroidectomy due to papillary thyroid cancer, several weeks after the surgery still required intermittent intravenous calcium infusions because of tetany symptoms. He had persistent hypocalcemia despite oral treatment with up to 1 ug calcitriol and 4 g calcium per day necessitating additional intravenous administration of calcium gluconate intermittently. This time, Teriparatide treatment was introduced at once daily 50 micrograms (mcg) subcutaneous injection, while doses of calcium and calcitriol were gradually decreased depending on the response of serum total and ionized calcium taken periodically, which resulted in total resolution of hypocalcemia symptoms and the achievement and maintenance of laboratory normocalcaemia in just 5 days. Conclusion: Treatment refractory chronic hypoparathyroidism may be seen in some cases after total thyroidectomy. Furthermore, the use of recombinant human parathyroid hormone analog (Teriparatide) allows for the control of recurrent hypocalcemia reducing the daily dosage of calcium and vitamin D. Finally, regular intravenous calcium administration was no more needed.
The Influence of Country Image, the Korean Wave, and Website Characteristics on Cross-Border Online Shopping Intentions for Korean Cosmetics: Focusing on US and Chinese Consumers

The purpose of this study was to examine the effects of the Korean Wave, macro and micro country image, and perceived website usefulness and ease of use on US and Chinese consumers’ intentions to purchase Korean cosmetics online. We conducted an online survey of US and Chinese consumers age 20 or older. Participants were asked to assume they were buying Korean cosmetics from the Kmall24 site. After browsing the site for 10 minutes, they responded to the questionnaire. A total of 500 responses (250 US consumers and 250 Chinese consumers) were used in the final analysis. For US consumers, the Korean Wave, perceived usefulness, and micro country image significantly affected cross-border online shopping intentions to purchase Korean cosmetics. For Chinese consumers, perceived usefulness, perceived ease of use, and the Korean Wave significantly affected cross-border online shopping intentions. Further, Chinese consumers scored significantly higher on all measured variables relative to US consumers. These findings highlight the need to understand every country’s consumer characteristics rather than judging exporting countries as homogeneous markets.
PREDICTING RURAL STEM TEACHERS’ ACCEPTANCE OF MOBILE LEARNING IN THE FOURTH INDUSTRIAL REVOLUTION

In South Africa, high schools’ Science, Technology, Engineering, and Mathematics (STEM) education is faced with many challenges. However, previous studies have shown that mobile learning (m-learning) can be used to lessen the challenges faced in STEM education. Despite the benefits that m-learning can bring into STEM classrooms, its adoption is still below the expected rate. The acceptance of m-learning depends on the attitude of its users. Most studies focused on learners’ acceptance of m-learning. However, very little is known about rural high school STEM teachers’ acceptance of m-learning in the Fourth industrial revolution (4IR) era. This study proposes a model, which extends the Technology Acceptance Model by introducing perceived social influence and perceived resources. Stratified random sampling was used to select 150 teachers to participate in the survey. A total of 114 valid questionnaires were collected, and data were analysed using partial least squares structural equation modelling. The proposed model explained 37.9 % of the variance in teachers’ behavioural intention to use m-learning in the 4IR era. Perceived attitude towards the use was found to be the best predictor of teachers’ behavioural intention, followed by perceived ease of use, perceived resources, perceived social influence, and lastly perceived usefulness
Failure Prevention and Malfunction Localization in Underground Medium Voltage Cables

A smart monitoring system capable of detecting and classifying the health conditions of MV (Medium Voltage) underground cables is presented in this work. Using the analysis technique proposed here, it is possible to prevent the occurrence of catastrophic failures in medium voltage underground lines, for which it is generally difficult to realize maintenance operations and carry out punctual inspections. This prognostic method is based on Frequency Response Analysis (FRA) and can be used online during normal network operation, resulting in a minimally invasive tool. In order to obtain the good results shown in the simulation section, it is necessary to develop a lamped equivalent circuit of the network branch under consideration. The standard π-model is used in this paper to analyse sections of a medium voltage cable and the parameter variations with temperature are used to classify the state of health of the line. In fact, the variation of the electrical parameters produces a corresponding variation in the frequency response. The proposed system is based on the use of a complex neural network with feedforward architecture. It processes the frequency response, allowing the classification of the cable conditions with an accuracy higher than 90%.
A new percussion hammer mechanism for a borehole deployable subglacial sediment corer

Abstract Subglacial sediments have the potential to reveal information about the controls on glacier flow, changes in ice-sheet history and characterise life in those environments. Retrieving sediments from beneath the ice, through hot water drilled access holes at remote field locations, present many challenges. Motivated by the need to minimise weight, corer diameter and simplify assembly and operation, British Antarctic Survey, in collaboration with UWITEC, developed a simple mechanical percussion corer. At depths over 1000 m however, manual operation of the percussion hammer is compromised by the lack of clear operator feedback at the surface. To address this, we present a new auto-release-recovery percussion hammer mechanism that makes coring operations depth independent and improves hammer efficiency. Using a single rope tether for both the corer and hammer operation, this modified percussion corer is relatively simple to operate, easy to maintain, and has successfully operated at a depth of >2130 m.
Comparison between Mineralogical Properties of Oak Forest and Un-Cultivated Soils in Iraqi Kurdistan Region

This study was conducted to identify the mineralogical properties of oak forest and un-cultivated soils at 12 locations in the Iraqi Kurdistan region, which included (Brifca, Gara, and Matin) in Duhok governorate, (Awagrd, Bilah, and Malakan) in Erbil governorate, (Badawan, Bardanga, and Chwarta) in Sulaimani Governorate and (Bakhakon, Hawar, and Sartak) in Halabja governorate. Clay minerals were identified from X-ray diffraction data and peaks. Peak height is used as a rough indicator of the relative abundance of minerals. In general, the expansion of 14A to 17A in ethylene glycol treatment was not detected because measuring started from 5 so thats why we cannot be differentiated between Chlorite and Smectite in that treatment. Swelling chlorite was the dominant mineral in these soils. While the miner clay mineral at that locations were Kaolinite. Mica was identified at all locations, while the dominant type of Mica at forest soils was Muscovite which was obtained from 6 sites, while Mica Biotite was obtained from 4 sites, but in un-cultivated sites, both types of mica recorded at 5 sites.
Effects of Dietary Supplementation of Black Soldier Fly (Hermetia illucens) Larvae Oil on Broiler Health

Insects are a potential source of proteins and fats which can be incorporated into diets of broiler chickens. Accordingly, black soldier fly larvae oil (BSFLO) needs to be tested as an appropriate fat source to produce healthy chickens for consumers. Therefore, the objective of the present study was to evaluate the effects of the replacement of soybean oil (SBO) with BSFLO in broiler diets on intestinal health and blood profiles. A total of 210 one-day-old male broilers were randomly allocated to three dietary treatments (10 replicates of seven birds per group): a control diet and two experimental diets in which SBO was replaced with 50% (50 BSFLO) or 100% (100 BSFLO) BSFLO. At the end of the study (35 days), 18 birds (six broilers per treatment) were slaughtered to determine the intestinal morphology, digestibility, and volatile fatty acid (VFA) profile. Blood samples were collected from 24 randomly selected birds (eight broilers per treatment) to determine the blood profiles. BSFLO supplementation positively affected villus height but did not affect digestibility. BSFLO showed no adverse effects on the VFA and blood profiles. In conclusion, the results of this study suggest that SBO can be replaced by BSFLO without any adverse effects on broiler health.
CAPTURING SOFTWARE REQUIREMENTS FOR BUSINESS PROCESS MODEL ANALYSIS AND IMPROVEMENT

This paper considers the problem of software requirements capturing for business process model evaluation and recommendations generation to suggest how detected modeling errors may be eliminated in order to improve business process model correctness. Existing software tools for business process model analysis are based on metrics and thresholds that allow assume presence of errors in business process models, but they are not capable to recommend structural changes required to eliminate detected modeling errors. Therefore, business process model analysis and improvement tasks become relevant, since early detection and elimination of possible errors presented in business process models may allow organizations avoid extra costs that may occur on any of the steps of business process lifecycle. Since business process models are shared organizational assets, it is also necessary to consider the capabilities of collaborative and concurrent usage of business process models by multiple stakeholders. Hence, the workflow of business process model analysis and improvement was analyzed and its key steps, which describe expected user and software behavior, were formalized using the IDEF0 functional model. Functional software requirements were captured in the form of user stories according to modern agile practices of software development. These user stories are based on features and drawbacks of existing software tools for business process model analysis. Captured user stories were formalized using the use case modeling. Non-functional software requirements were also captured; they include maintainability, readability, testability, understandability, integrability, and complexity requirements. Captured requirements can be used to design and develop business process model analysis and improvement software capable to provide recommendations to eliminate detected modeling errors. software tool.
İklim Değişikliğinin Önlenmesine Yönelik Umut Ölçeği: Türkçeye Uyarlama Çalışması

Bu calismada, Li ve Monroe (2018) tarafindan gelistirilen Iklim Degisikliginin Onlenmesine Yonelik Umut Olcegi’nin (IDOUO) Turkceye uyarlanmasi amaclanmistir. Arastirma, 453 universite ogrencisinden olusan uc ayri calisma grubu uzerinde yurutulmustur. Dilsel esdegerlik calismasinda olcegin Turkce ve Ingilizce formundan alinan puanlar arasinda pozitif yonlu yuksek korelasyonlar saptanmistir. IDOUO’nun Turkce formunun yapi gecerligi acimlayici faktor analizi (AFA) ile birinci ve ikinci duzey dogrulayici faktor analizi (DFA) uygulanarak test edilmistir. AFA’da olcegin uc boyutlu orijinal formuyla ortusen ve toplam varyansin %51.37’sini aciklayan bir yapi elde edilmistir. Birinci duzey DFA’da olcegin orijinal formundaki uc boyutlu yapinin Turk kulturu icin de gecerli oldugu belirlenmistir. Ikinci duzey DFA sonucunda ise iklim degisikliginin onlenmesine yonelik umudun; bireysel alandaki isteklilik ve cozum yollari bulma inanci, toplumsal alandaki isteklilik ve cozum yollari bulma inanci ile isteksizlik ve cozum yolu bulmada inancsizlik boyutlariyla olculebilecegi tespit edilmistir. IDOUO ile toplanan olcumlerin guvenirligini incelemek icin Cronbach alfa ve bilesik guvenirlik katsayilari hesaplanmistir. Alt olceklerdeki madde sayilari dikkate alindiginda, hesaplanan guvenirlik degerlerinin olcumlerin guvenirligine kanit olusturabilecegi sonucuna varilmistir. Madde analizi sonuclari, madde korelasyonlarinin IDOUO’deki tum maddeler icin . 30 esik degerini astigini gostermistir. Arastirmaya iliskin bu sonuclar, olcegin Turkce formunun gecerli ve guvenilir olcumler urettigini yansitmaktadir.
Multi-Objective Optimization of Cascade Blade Profile Based on Reinforcement Learning

The multi-objective optimization of compressor cascade rotor blade is important for aero engine design. Many conventional approaches are thus proposed; however, they lack a methodology for utilizing existing design data/experiences to guide actual design. Therefore, the conventional methods require and consume large computational resources due to their need for large numbers of stochastic cases for determining optimization direction in the design space of problem. This paper proposed a Reinforcement Learning method as a new approach for compressor blade multi-objective optimization. By using Deep Deterministic Policy Gradient (DDPG), the approach modifies the blade profile as an intelligent designer according to the design policy: it learns the design experience of cascade blade as accumulated knowledge from interaction with the computation-based environment; the design policy can thus be updated. The accumulated computational data is therefore transformed into design experience and policies, which are directly applied to the cascade optimization, and the good-performance profiles can be thus approached. In a case study provided in this paper, the proposed approach is applied on a blade profile, which is thus optimized in terms of total pressure loss and laminar flow area. Compared with the initial profile, the total pressure loss coefficient is reduced by 3.59%, and the relative laminar flow area at the suction surface is improved by 25.4%.