Miracle-dz/UniFAR-FTUs huggingface dataset:
The 1,2-hydrogen shift reaction for monohalogenophosphanes PH2X and HPX (X = F, Cl)

ABSTRACT The aim of the present study was to perform a quantum chemical investigation in the 1,2-hydrogen shift reaction for the PH2X and HPX molecules (X = F,Cl). Several phosphorus–halogen-bearing molecules were studied, including PH2F, PH2Cl, HPF, HPCl, HPFH, HPClH, PFH and PClH. The energies of stationary and saddle points on the ground electronic potential energy surface were investigated with post-Hartree–Fock methods [CCSD(T), MP2, QCISD] and different DFT functionals. The PH2F 1,2-hydrogen shift energy barrier was 75 kcal mol−1 at the CCSD(T) level and only a small increase in this value was observed for the HPF isomerisation. In contrast, the HPCl 1,2-hydrogen shift barrier is higher than the PH2Cl one, which presented a barrier height of 69 kcal mol−1 among CCSD(T) and composite methods. The rate constants of these unimolecular rearrangements varied from 10−44 to 10−38 s−1, and these isomerisation channels exhibited large half-lives. In addition, the heat of formation of each monohalogenophosphane was also calculated. The Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) analysis were also employed to characterise the differences between the phosphorous–halogen bonds.
Evolution in E-Commerce with Augmented Reality

New shopping methods with various attributes compared with traditional internet shopping can improve the administrations of business websites or E-commerce system. This paper is a dense abstract of the broadest parts of elective innovation dependent on AR collaborations that avoids the utilization of physical interaction with the product. The utilization of internet shopping has been developing significantly over some time. Augmented reality (AR) may assume the most significant job in improving the method of web-based shopping. The advancement of new AR innovation can be made valuable if it can imitate the highlights that have made web-based shopping the most favorable shopping source in present times. AR is equipped for working in a gadget utilizing Google’s AR Core or Apple’s AR Kit SDKs. It is a straightforward technique to create the 3D model before an individual that can be effectively equivalent which results in a better impression of the item by recreating in reality. 3D models are being delivered utilizing a game motor with AR SDKs in the client gadget which is controlled through a lot of projects written in an IDE. The execution of AR shopping is changing internet business by helping the web retailers to decrease the developing expense of profits and furnishing their clients with all the more captivating and advantageous approach to shop through their gadgets. Imaginative AR arrangements permit clients to envision their item continuously, from the comfort of their place. And it may play a major role in the industrial revolution with a specialization area.
Online State-of-Charge Estimation Based on the Gas–Liquid Dynamics Model for Li(NiMnCo)O2 Battery

Accurately estimating the online state-of-charge (SOC) of the battery is one of the crucial issues of the battery management system. In this paper, the gas–liquid dynamics (GLD) battery model with direct temperature input is selected to model Li(NiMnCo)O2 battery. The extended Kalman Filter (EKF) algorithm is elaborated to couple the offline model and online model to achieve the goal of quickly eliminating initial errors in the online SOC estimation. An implementation of the hybrid pulse power characterization test is performed to identify the offline parameters and determine the open-circuit voltage vs. SOC curve. Apart from the standard cycles including Constant Current cycle, Federal Urban Driving Schedule cycle, Urban Dynamometer Driving Schedule cycle and Dynamic Stress Test cycle, a combined cycle is constructed for experimental validation. Furthermore, the study of the effect of sampling time on estimation accuracy and the robustness analysis of the initial value are carried out. The results demonstrate that the proposed method realizes the accurate estimation of SOC with a maximum mean absolute error at 0.50% in five working conditions and shows strong robustness against the sparse sampling and input error.
Artificially produced gametes in mice, humans and other species

The production of gametes from pluripotent stem cells in culture, also known as in vitro gametogenesis, will make an important contribution to reproductive biology and regenerative medicine, both as a unique tool for understanding germ cell development and as an alternative source of gametes for reproduction. In vitro gametogenesis was developed using mouse pluripotent stem cells but is increasingly being applied in other mammalian species, including humans. In principle, the entire process of germ cell development is nearly reconstitutable in culture using mouse pluripotent stem cells, although the fidelity of differentiation processes and the quality of resultant gametes remain to be refined. The methodology in the mouse system is only partially applicable to other species, and thus it must be optimised for each species. In this review, we update the current status of in vitro gametogenesis in mice, humans and other animals, and discuss challenges for further development of this technology.
Online Self-Calibration of Multiple 2D LiDARs Using Line Features With Fuzzy Adaptive Covariance

The calibration techniques for a multi-sensor data fusion need to deal with the high accuracy of each sensor position to the reference frame. The point cloud data generated by low-cost LiDAR sensors possess high uncertainty, giving poor affection to the calibration system. Furthermore, the displacements between the sensors could be adjusted by undesirable situations during operation time. This paper proposes an automatic calibration framework for multiple low-cost 2D lasers on the special Euclidean group SE(2). The key ideas of the proposed method are to perform the line feature-based factor graph optimization and fuzzy inference system to adapt the covariance of the factor graph. Here, to fuse the line feature information, we mimic the weight affection technique using the fuzzy logic rules and then add the adapted covariance to the graph. Next, we suggest an online self-calibration algorithm running in real-time to correct the variation of calibrated parameters. Lastly, the proposed calibration system is evaluated through a real-world dataset. The experiment results show that the proposed method can be widely applied for industrial applications.
Synthesis Design of Dual-Band Differential Phase Shifters With Independent Filtering Passbands and Predetermined Phase Shifts

This article proposes the synthesis design method of the dual-band differential phase shifters with independent filtering passbands and predetermined phase shifts. The filtering unit of the proposed phase shifter adopts a simple branch-line structure, which possesses its characteristics of controllable dual-band frequency ratios and bandwidths. Meanwhile, the Schiffman phase alignment element holds the capability of achieving different predetermined phase shifts in dual band. In our design, dual-mode resonator and dual-mode J-inverter models for the filtering units are equivalently established, and the amplitude and phase closed-form formulas for the proposed dual-band phase shifter are further numerically obtained for the first time. This proposed work features new synthesis method, integrated higher order filtering response with two independently prescribed bandwidths, and concurrent predetermined dual-band phase shifts. Design procedures are provided in detail for a quick design. Finally, two dual-band phase shifters with different frequency ratios and phase shifts are designed and demonstrated. The experimental and measured results match well.
All-Polymer Solar Cells Employing Non-Halogenated Solvent and Additive

Herein, we report an all-polymer solar cell with a PCE of over 5% fabricated with non-halogenated solvent. Our method of polymer side-chain engineering using polystyrene enhanced the solubility of polymers in toluene. The phase separation size of the polymer–polymer blend was controlled by tuning the additive concentration. Three different additives were employed and studied. To the best of our knowledge, this is the highest performing all-polymer solar cell fabricated with both non-halogenated solvent and non-halogenated additive, which highlights its potential toward environmentally friendly manufacturing of all-polymer organic solar cells.
Hesapsal Zekâ Yöntemleri ile İnsansız Hava Araçları için Rota Planlaması

Bu calisma insansiz hava araclarin rotalarinin yazilimsal olarak belirlenmesini amaclamaktadir. Insansiz hava araclari gunumuzde kesif, arama kurtarma, hasar tespiti gibi alanlarin yaninda insanlar icin bulunulmasi tehlikeli ortamlarda yapilacak gorevlerde kullanilabilmektedir. Gunumuzde farkli alanlarda yaygin olarak kullanilan Insansiz hava araclari icin donanim ve yazilim alaninda ciddi calismalar yapilmaktadir. Yapilan calismalarin buyuk bir kismi donanim uzerine yapilmaktadir. Ancak bu calisma Insansiz Hava Araclari icin yazilim gelistirme uzerine olacaktir. Calismanin amaci Insansiz Hava Araclari icin rota planlamasi ve simulasyon ortaminin gelistirilmesidir. Rotanin hesaplanma maliyeti yuksek oldugundan dolayi literaturde rota planlama islemi NP-Zor problemler sinifina girmektedir. Yapilacak olan calismada rota planlamasi icin meta sezgisel algoritma yaklasimlari kullanilacaktir. Amac islem suresini dusurmek ve maliyet verimliligini en ust seviyeye cikarmaktir. Calismada birden fazla meta sezgisel algoritma yontemi kullanilarak rota planlamasi yapilirken, gorev yapacagi saha yapisi, engeller ve tehlikeli bolgeler dikkate alinarak en uygun rota planlamasi yapilacaktir. Rota planlamasi yapilirken amac guvenli ve en kisa mesafenin hesaplanmasi olacaktir.
Perfil inmunofenotípico de cáncer de mama de pacientes atendidas en un hospital general de Lima, Perú

1 Facultad de Medicina Alberto Hurtado, Universidad Peruana Cayetano Heredia. Lima, Perú. 2 Sociedad Científica de Estudiantes de Medicina de Cayetano Heredia (SOCEMCH-UPCH). Lima, Perú. 3 Departamento de Patología, Hospital Nacional Arzobispo Loayza. Lima, Perú. a Estudiante de pregrado b Médico-Cirujano Egresado c Médico Asistente, Especialista en anatomía patológica. Perfil inmunofenotípico de cáncer de mama de pacientes atendidas en un hospital general de Lima, Perú
Effect of Solanum lycopersicum leaf extracts against larvicidal activity of Aedes aegypti L.

Introduction: Aedes mosquitoes are responsible for transmitting various life-threatening diseases all over the world and created a burden to society. Control of mosquito vectors is the key challenge to avoid disease transmission. In this regard, the present work is focused to utilize the agronomical waste of Solanum lycopersicum leaf extracts and to evaluate the larvicidal activity against Aedes aegypti. Methods: The qualitative and quantitative screening of S. lycopersicum leaf extracts were carried out. The larvicidal activity of different concentrations were assessed against 3rd instar Ae. aegypti and to determine the morphological effects. The chemical constituents were analysed by gas chromatography coupled with mass spectroscopy (GC-MS). Results: The preliminary phytochemical screening of S. lycopersicum leaf extracts revealed the presence of alkaloids, saponins, phenols and flavonoids. The methanol extract exhibited strong larvicidal activity at 48h treatment with an LC50 value of 20.323mg/ml. The morphological changes revealed that abnormal movement and coiling of treated larvae at 24h. Furthermore, severe damage was noticed in the digestive and respiratory tract of Ae. aegypti larvae at 48h, later on complete mortality was observed. The GC-MS analysis of methanol extract showed chemical constituents such as phytol acetate (42.66%), neophytadiene (29.38%) and other minor compounds. Conclusion: Based on the results, it can be concluded that methanolic leaf extract of S. lycopersicum could be an alternative source to control mosquito vectors and further investigation is strongly suggested in order to utilise this source in many disease-endemic areas.
Automatic detection of characteristic segments of a recorded ECG signal with noise handling methods

Depolarization and repolarization of the myocard results in specific wave shapes that are recognizable in an ECG signal and are characterized by their length, rise time and amplitude. Changes in these characteristics usually indicate anomalies in the function of the heart. Automatic detection of characteristic segments of the ECG signal is of crucial importance for fast and reliable recognition of artefacts that are further analyzed as a means for setting a diagnosis. In this paper a contribution has been made towards efficient automatic segment detection of real ECG signals recorded in arbitrary conditions in the presence of noise from various sources. The method of accumulated differential and a technique for tracing the wave shapes of the ECG signal using their local extrema have been implemented in the developed algorithm. The implementation of these methods yields an advanced way of handling the noise present in the ECG signal resulting with high precision segment detection and low computational power requirement. The high accuracy of the algorithm has been verified using real signals recorded on 2 lead ambulatory electrocardiograph. Another benefit of the developed algorithm is its speed – it is able to process a 5 minute long recorded ECG signal in 9 seconds.
Engineering Emotional Intelligence in Moroccan Primary School

The Moroccan socio-economic context is more and more weakened by a dynamic of accelerated measures aimed at redressing the financial deficits of the state. The first emotionally impacted by this dynamic are parents and therefore their children who begin to live in a universe dominated by fluctuations and unforeseen events.This article will therefore explore the emotional situation of Moroccan pupils at the beginning of schooling and identify their needs in this area, in order to initiate a dynamic of engineering emotional intelligence in primary school.The study was carried out in 3 school groups in Casablanca on a mixed population of 160 pupils and was spread out over a month. The used tools comprised interviews with survey filling to measure the degree of awareness of emotions on the part of these pupils and their teachers. Subsequently, the population was subjected to two tests respectively of impulses control and team spirit.The results show an initial dominance of emotions in the studied population and demonstrate the major interest of a gradual integration of emotional intelligence courses in the primary cycle of education.
Rapid evaluation of the mechanical fault severity in induction motors using the model‐based diagnosis technique

Jiajie Huang, School of Electric Power Engineering, South China University of Technology, No. 381, Wushan Road, Tianhe District, Guangzhou 510640, China. Email: huangjiajie0401@163.com Abstract The motor current signal analysis (MCSA) technique is widely used as a non‐invasive method for detecting mechanical faults in induction motors by capturing characteristic components in the stator line current. However, the threshold of the characteristic component is not clear now, which makes it difficult for MCSA to judge whether the fault occurs or evaluates the mechanical fault severity. The existing model‐based evaluation methods cannot meet the requirement of online condition monitoring because of their slow calculation. To solve these problems, a simplified dynamic motor model under any type of mechanical fault is established, and a formula for the amplitude relationship between the radial vibration of the rotor and fault‐related component in the stator line current is derived. The radial vibration amplitude is related to mechanical fault severity. Using this formula, the MCSA technique can rapidly evaluate the mechanical fault severity according to the amplitude of the characteristic component in the collected stator current. The simulation study results demonstrate the accuracy of the simplified model and formula. The experimental results presented for condition monitoring in a real induction motor clearly validate the evaluation approach.
Ecology of trichinellosis transmission in the Voronezh State Nature Reserve and adjacent areas, Russia

The article considers certain aspects of the morphology and biology of Trichinella , and the ecology and epizootology of trichinellosis in the Voronezh State Nature Reserve and its adjacent areas (Black Soil Region of Russia). Original data were collected during 30 years (1990–2019) from potential hosts of Trichinella , mainly carnivorous mammals. During this period, more than 200 specimens of wild and domestic carnivores of three families (Canidae, Mustelidae, Felidae) were studied. Six species of wild carnivores ( Canis lupus , Vulpes vulpes , Nyctereutes procyonoides , Meles meles , Martes martes , and M. foina ) were obligatory hosts. In addition, Trichinella was found in Erinaceus
Personal Security and Cyberspace in Time Of COVID-19 Modes of Working

The paper presents the analysis of the quantitative research examining the level of the sense of security and the cognitive satisfaction connected with the intense use of digital technology as the result of the switch into remote or hybrid modes of working, especially in a group of high skilled workers. The study was conducted during second wave of the Covid-19 pandemics on the sample (N=246) of Polish employees representing Millenials’ generation. The online questionary was disseminated among employees until 30 age working in different sizes of enterprises (micro, SMEs and big ones), located in northern regions of Poland. The results have showed the moderately negative impact of the intensive cyberspace presence in connection with new modes of working for the personal sense of security of the respondents. The sense of security of respondents didn’t correlate with cognitive satisfaction flying from digital mode work. The found results can be used as recommendations for introducing more holistic well-being hr practices in organizations and also for implementing new kinds of nonfinancial benefits in talent management programs.
New Bromo- and Iodo-Hydroxylactones with Two Methyl Groups Obtained by Biotransformation of Bicyclic Halolactones

The subject of the research was to determine the ability of the filamentous fungi to biotransform bicyclic halolactones containing two methyl groups in their structure. By chemical synthesis three bicyclic halolactones with two methyl groups, one in the cyclohexane ring and one in the lactone ring, were obtained: 2-chloro-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one, 2-bromo-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one, and 2-iodo-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one. These compounds were formed as mixtures of two diastereoisomers. The obtained halolactones (as mixture of two diastereoisomers) were subjected to screening biotransformation with the use of eight strains of filamentous fungi: Fusarium culmorum AM10, F. avenaceum AM12, F. semitectum AM20, F. solani AM203, Absidia coerulea AM93, A. cylindrospora AM336, Penicillium chermesinum AM113, P. frequentans AM351. Two of the substrates, 2-bromo-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one and 2-iodo-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one, were hydroxylated without removing the halogen atom from the molecule, giving 2-bromo-7-hydroxy-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one, 2-bromo-5-hydroxy-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one, and 2-iodo-7-hydroxy-4,7-dimethyl-9-oxabicyclo[4.3. 0]nonan-8-one as products. The hydroxylation capacity was demonstrated by strains of Absidia cylindrospora AM336, Fusarium avenaceum AM12, and F. solani AM203. The structures of all lactones were determined on the basis spectroscopic data.
Adjuvant chemotherapy and radiation therapy with the “sandwich” method for endometrial cancer: an institutional analysis

Introduction. Choice of adjuvant therapy for high risk endometrial cancers is controversial. The so-called “sandwich” regimen of pelvic external beam radiation administered between cycles of Carboplatin/Paclitaxel (CT-RT-CT) is commonly used in clinical practice but has not been evaluated in randomized endometrial cancer trials. There is relatively little published data regarding toxicity, patient tolerance, and efficacy of this regimen. Here, we report our institutional experience of CT-RT-CT for locally advanced endometrial cancer, focusing on toxicity and rates of compliance with study therapy. Material and methods. Medical records of consecutive patients treated for surgically staged endometrial cancer at a tertiary care academic medical center between 2010 and 2017 were reviewed. All patients received adjuvant CT-RT-CT. Progression-free and overall survival were recorded from the date of surgery. Toxicity data was obtained from patient medical records and graded according to Common Terminology for Adverse Events Criteria, version 3.0. Results. Thirty-eight patients with histologically proven stage I–IV endometrial cancer were included. Eighty-four percent of patients were able to complete all 6 planned cycles of chemotherapy and 92% completed at least 4 cycles. Cumulative incidence of grade 3–4 hematologic toxicity was 55%. Locoregional recurrence was the first site of failure in 2 patients (5.1%) while distant failure was the first site of recurrence in 8 patients (21%). Two year overall survival and progression-free survival were 76% and 77% respectively. Conclusion. Our results suggest that adjuvant chemotherapy and radiation therapy with the “sandwich” regimen is associated with acceptable toxicity and satisfactory rates of completion of planned therapy.
School Leadership. Models and Tools: A Review

Many researchers have dealt with school leadership because of the rapid development of educational change. The leadership’s influence in shaping the reforms and improving the quality of education, as well as in the job satisfaction of the teachers and the successful operation of the school unit is catalytic and at the same time regulatory. For this reason, a number of tools for measuring school leadership have been implemented. Some of the tools have their roots in the management of companies and organizations while others have been implemented exclusively for the management of school units. In this review, a reference is made to the leadership models that one can encounter in a school unit but also to the tools that can be used to measure leadership depending on the model encountered. The purpose of this study is to contribute to the literature with the presence of tools used to measure the behavior of different leadership styles. There is a brief presentation of each tool, the dimensions it captures, the leadership style it measures as well as its degree of reliability. The review showed that tools such as MLQ, LPI, PIMRS, CLIO, GLOBE and DLI can be used with great ease.
Algorithm Modeling of Smile Intensity Estimation Using a Spatial Attention Convolutional Neural Network

Smile intensity estimation is a challenging task as it required subtle feature extraction, self-adapted weighted model and classifier. complexity of the problem domains, and problems on fine-grained image recognition are some of the issues related to intensity estimation. In this study, we designed a self-weighted deep convolutional neural network architecture for smiles intensity estimation using graphics processing unit. In the case of using only CK+ smile images, the accuracy of the model is also higher than that of the latest technology. Our model achieved better accuracy by just using CK+ smile images than state-of-the-art techniques. Visualizations of learned features at various layers and their deconvolutions are also presented for understanding the learning process.