Miracle-dz/UniFAR-FTUs huggingface dataset:
Competition between hydrogen bond and σ-hole interaction in SCS-HArF and SeCSe-HArF complexes

A computational study of the complexes formed between HArF and XCX (X = O, S, and Se) has been performed at the MP2/aug-cc-pVTZ level. Two types of complexes were found. One is formed through a hydrogen bond with XCX as the electron donor and the other is formed through the σ-hole interaction with XCX as the electron acceptor. The OCO-FArH complex is more stable than the OCO-HArF complex, whereas the XCX-HArF (X = S and Se) complex is more stable than the XCX-FArH complex. The distant H-Ar bond is shortened and exhibits a blue shift, but the associated one displays a red shift in SCS-HArF and SeCSe-HArF complexes. When compared with XCX-HF complex, the structure of the complex suffers a great effect from the inserted noble gas atom. The natural bond orbital (NBO) and atoms in molecules (AIM) have been performed for a better understanding of the interactions.
Extreme events in wall turbulence

Abstract The mechanics of extreme intensity events in the buffer and logarithmic layers of a turbulent channel at $Re_\tau =2000$ is investigated. The 99.9th percentile of the most intense events in the dissipation of turbulent kinetic energy is analysed by means of conditional space–time proper orthogonal decomposition. The computed spatio-temporal modes are coherent in space and over the considered time frame, and optimally capture the energy of the ensemble. The most energetic mode with transverse symmetric structure describes a turbulent burst event. The underlying mechanism is a varicose instability which generates localized extrema in the dissipation and production of turbulent kinetic energy and drives the formation of a hairpin vortex. The most energetic anti-symmetric mode is related to a sinuous-type instability that is situated in the shear layer between two very-large-scale streaks. Statistical results show the energy in the symmetric mode to exceed that in the anti-symmetric mode by a near constant factor for the considered wall distances. Both mechanisms occur throughout the range of wall distances in an effectively self-similar manner that is consistent with the attached-eddy hypothesis. By analogy with transitional flows, the results suggest that the events are induced by an exponential growth mechanism.
A Risk Assessment Approach for Nursing Infants Exposed to Volatile Organics through the Mother's Occupational Inhalation Exposure

Abstract A “rule-of-thumb” methodology is presented to assist in assessing risk to a nursing child due to the mother's occupational inhalation exposure. The method represents an example of the use of physiologically-based pharmacokinetic modeling using state-of-the-art computational techniques. A computer model is developed to describe distribution of nonmetabolized, inhaled contaminants into a mother/child system as a function of the contaminant's blood: air and octanol: water partition coefficients. Effective dose is calculated in terms of the area under the blood concentration vs. time curve of the exposure chemical. Since low partition values yield low risk for the nursing child and high values yield high risk, the model is exercised over a range of intermediate values (blood: air = [2, 25]; octanol: water = [100, 1500]). Results are thus applicable to chemicals for which the mother's dose is a strong factor in estimating the child's risk. The most notable observation is that, for the range of partiti.
A 5.43 nV/√Hz Chopper Operational Amplifier Using Lateral PNP Input Stage with BJT Current Mirror Base Current Cancellation

This paper presents a low-noise chopper operational amplifier using a lateral PNP input stage with bipolar junction transistor (BJT) current mirror base current cancellation. The BJT has a lower noise characteristic than the metal–oxide–semiconductor (MOS) transistor, where low-noise characteristics can be achieved by implanting the BJT to the input stage of the amplifier; however, the base current of the BJT input stage causes low input impedance of the amplifier. The BJT current mirror base current cancellation technique is implemented to enhance the input impedance of the BJT input stage by canceling the base current. BJT current mirror base current cancellation is implemented with a simple scheme using NPN transistors with deep n-well in a generic complementary metal–oxide–semiconductor (CMOS) process. For further noise reduction with the BJT input stage, a chopper amplifier scheme is adopted to reduce low-frequency components such as 1/f noise terms in the low-frequency range. The prototype chip is fabricated in a 0.18-μm CMOS process. The active area of the prototype amplifier is 0.213 mm2. The measured input-referred noise is 5.43 nV/√Hz. The measured input base current of the amplifier with base current cancellation is 67.971 nA. The total amplifier current consumption is 278.3 μA, with a power supply of 3.3 V.
A Social Collaborative Filtering Method to Alleviate Data Sparsity Based on Graph Convolutional Networks

SUMMARY Nowadays recommender systems (RS) keep drawing attention from academia, and collaborative ﬁltering (CF) is the most successful technique for building RS. To overcome the inherent limitation, which is referred to as data sparsity in CF, various solutions are proposed to incorporate additional social information into recommendation processes, such as trust networks. However, existing methods su ﬀ er from multi-source data integration (i.e., fusion of social information and ratings), which is the basis for similarity calculation of user preferences. To this end, we propose a social collaborative ﬁltering method based on novel trust metrics. Firstly, we use Graph Convolutional Networks (GCNs) to learn the associations between social information and user ratings while considering the underlying social network structures. Secondly, we measure the direct-trust values between neighbors by representing multi-source data as user ratings on popular items, and then calculate the indirect-trust values based on trust propagations. Thirdly, we employ all trust values to create a social regularization in user-item rating matrix factorization in order to avoid overﬁttings. The experiments on real datasets show that our approach outperforms the other state-of-the-art methods on usage of multi-source data to alleviate data sparsity.
Long-range Finnis-Sinclair potentials for f.c.c. metallic alloys

Abstract Many-body, long-range potentials of a Finnis-Sinclair type are formulated for the atomistic description of binary f.c. c. metallic alloys. These potentials are generalizations of the scheme constructed by Sutton and Chen (1990), for the atomistic modelling of f.c. c. elemental metals. The parameters for the alloy potentials are obtained directly from the parameters for the elemental metals, without any further adjustable fitting. Lattice parameters, elastic constants and enthalpy of formation of 45 binary, random f.c. c. alloys are calculated.
Self-directed propulsion of an unconstrained flapping swimmer at low Reynolds number: hydrodynamic behaviour and scaling laws

Abstract Flapping-wing-based propulsion is ubiquitous in Nature, and it is free in all directions. In this work, the hydrodynamic behaviour of an unconstrained flapping foil, which can self-propel in both longitudinal and lateral directions, is numerically studied. It is found that the flapping foil can keep self-propelling in a straight line along the longitudinal direction, together with a passive oscillation in the lateral direction. Moreover, the effects of multiple parameters on the performance of the flapping swimmer are investigated, including the flapping frequency and amplitude, the mass ratio between foil and fluid, and the thickness–chord ratio of the foil. It is shown that the propulsive speed, the power consumption and the lateral oscillating motion obey some simple scaling laws. The results obtained here may provide some light on understanding biological flapping-wing-based propulsion.
Reading comprehension gains in a differentiated reading intervention in Spanish based on the Simple View

This experimental study aimed to influence reading comprehension skills through the development of one or both components of the Simple View of Reading (decoding and listening comprehension), by using a differentiated instruction approach. Reading comprehension skill gains were compared in an intervention group versus a control, after the delivery of a program designed to target one or both of such components. Fifty-four children from two 1st grade classrooms in a public school in Mexico were screened for difficulties in decoding and listening comprehension at the end of the school year. At the beginning of 2nd grade, 27 students identified with difficulties were randomly assigned to either an intervention (n = 14) or a control group (n = 13). Students selected for the targeted intervention attended the sessions aimed at their specific needs: five students with poor decoding only received the Phonological and Orthographic Awareness sessions of the intervention (9 sessions); seven students with poor listening comprehension only attended the Oral Vocabulary sessions (5 sessions); two students with mixed difficulties attended the full program (14 sessions). A 2 × 2 mixed analysis of variance showed that the interaction between the Time and Group variables had a significant effect, i.e. students in the intervention group had significantly higher scores in the post-test evaluation with respect to their baseline and compared to the growth observed in the control group. Results are discussed concerning their implications for teaching practices and for the use of strategies that target reading specific difficulties in students using both oral and written language.
Laser induced fluorescence system for detection of biological agents: European project FABIOLA

The Research and Technology Project FABIOLA (Fluorescence Applied to BIOLogical Agents Detection) is placed under the Common European Priority Area (CEPA) number 13 on "Radiological, chemical and biological defence" and managed by the Western European Armaments Organization (WEAO) in the frame of SOCRATE MOU (System of Co-operation for Research and Technology in Europe). The six (6) Nations: Finland, France, Greece, Italy, Poland and Sweden have decided to allocate funding to FABIOLA Research and Technology Project with France as the Lead Nation. There are two main objectives of the project : demonstrate the feasibility to improve the detection of BW agents using LIF (Laser Induced Fluorescence), and develop a BW early warning point detection lab-demonstrator based on LIF. The aim of the project is to evaluate the possibility of time-resolved fluorescence and conception of a system used for real-time measurements. It is well known that when bacteria are excited with UV radiation, they exhibit intense fluorescence emission. UV fluorescence is usually very good at discriminating bio from non-bio particle. Laser induced fluorescence is possible at several wavelength. For LIF system the laser source(s) should operate at excitation wavelength in the UV (250nm to 360nm) and the resulting fluorescence (300nm to 600nm) shall be detected with the aim to discriminate between bio-molecular materials (containing amino acids such as tryptophane, tyrosine, and phenylalanie, as well as cell nucleus compounds such as NADH and riboflavin).
Soil Quality Indicators as an Assessment Tool to Maximize the Productivity of Pulse Crops

The present research investigation was taken up during 2017-2019 to evaluate the properties and fertility status of soils through physical, chemical and biological indicators of soil quality in the major pulse growing regions which were classified into three categories viz., low yielding (< 400kg ha -1 ), medium (400 to 700 kg ha) and high yielding (> 700 kg ha). 300 samples collected from these zones were subjected to analysis and weight ages were assigned to each soil quality attribute through Principal Component Analysis (PCA) and those that explain at least 5% of the variation in the data were examined by using SPSS software. The mean percentage of water stable aggregates was the highest (51%) in high yielding soils which can be attributed to the beneficial effect of organic manure application and balanced fertilizer usage. Most of the samples in the high yielding soils were neutral to slightly alkaline (pH of 7.20 to 7.85), while that of medium and low yielding soils were moderately alkaline and neutral to slightly alkaline respectively. However low yield category had an average cation exchange capacity of 12.2 c mol (p + ) kg -1 , whereas that of medium and high yield categories recorded 21.8 and 36.9 c mol (p + ) kg -1 respectively. The soils of high, medium and low yield zones recorded 282,234 and 138 kg ha of available nitrogen respectively. The sulphur status Original Research Article Saliha et al.; CJAST, 39(36): 89-95, 2020; Article no.CJAST. 62827 90 in pulse growing soils revealed deficiency in 88 percent of the samples from low yielding zones which needs due attention. The overall results of the study concluded that the higher values of soil attributes such as aggregate stability, cation exchange capacity, organic carbon, available nitrogen, available potassium and extractable micronutrients corresponded well with the high yield category indicating the importance of these soil quality indicators for improving the pulse productivity in low
Donor formation in nitrogen doped silicon

The formation behavior of donors associated with oxygen in nitrogen‐doped and undoped Czochralski silicon has been investigated by means of electrical and infrared measurements at low temperatures (8 K). It is found that donors are not generated in N‐doped silicon annealed at 650 °C up to 100 h. We have also studied the effect of preannealing at 450 and 1050 °C on the formation of donors in the N‐doped silicon. The 450 °C preannealing enhances the formation of donors in the subsequent annealing at 650 °C, while the 1050 °C preannealing has no effect. The donor concentration increases at 650 °C with the 450 °C preannealing time. The formation of nitrogen–oxygen complexes in the N‐doped silicon is believed to suppress the generation of nuclei of donors, and, consequently, the formation of donors.
Methodology and Software Tool for Energy Consumption Evaluation and Optimization in Multilayer Transport Optical Networks

In communication networks, the volume of traffic, the number of connected devices and users continues to grow. As a result, the energy consumption generated by the communication infrastructure has become an important parameter that needs to be carefully considered and optimized both when designing the network and when operating it in real-time. In this paper, the methodology of calculation of complex parameters of energy consumption for transport telecommunication networks is proposed. Unlike the known techniques, the proposed methodology takes into account heterogeneity and multilayer networks. It also takes into account the energy consumption parameter during the downtime of the network equipment in the process of processing the service data blocks, which is quite an important task for improving the accuracy of energy consumption at the stage of implementing the energy-saving network. We also developed simulation software to estimate and manage the energy consumption of the optical transport network using the LabVIEW environment. This software tool allows telecommunication network designers to evaluate energy consumption, which allows them to choose the optimal solution for the desired projects. The use of electro-and acousto-optical devices for optical transport networks is analyzed. We recommended using electro-optical devices for optical modulators and acousto-optical devices for optical switches. The gain from using this combination of optical devices and the parameter of rij electro-optical coefficient and M2 acousto-optical quality parameter found in the paper is about 36.1% relative to the complex criterion of energy consumption.
High and low ambient temperature at night and the prescription of hypnotics.

STUDY OBJECTIVES This study investigated the association between ambient nighttime temperature and sleep problems assessed by the prescription dose of sleeping pills in South Korean adults. METHODS We used the 2002-2015 National Health Insurance Service-National Sample Cohort. A total of 711,079 adults who were 20 years old or older were included, wherein 42,858 adults (~6%) had been prescribed hypnotic medications including zolpidem (N05CF02) and triazolam (N05CD05). Ambient temperature data was calculated as the mean highest temperature of nighttime (23:00-07:00) for every month from January to December. We combined the drug-prescribed date with the administrative districts-level daily nighttime temperature between 2002 and 2015. RESULTS We found that a non-linear, U-shaped relationship between nighttime temperature and hypnotic medication prescription. With an increase per 1°C temperature or an increase in a square per 1°C, the prescription dose of sleeping pills was significantly increased (both p < 0.05). At each 5°C nighttime temperature, subjects belonging to low (≤0°C and 0-5°C) or high (20-25°C and ≥25°C) temperature categories had significantly higher doses of sleeping pills than those at the reference temperature (10-15°C). Changes in nighttime temperature had a significant non-linear effect on the prescribed dosage of hypnotic medications for both adults (p < 0.0001) and the elderly (p = 0.0006). CONCLUSION We found that either a high or low nighttime temperature was significantly associated with a high daily dose of hypnotic medications in the Korean population.
An Atomic Force Acoustic Microscopy Image Fusion Method Based on Grayscale Inversion and Selection of Best-Fit Intensity

Atomic force acoustic microscopy (AFAM) can provide surface morphology and internal structures of the samples simultaneously, with broad potential in non-destructive imaging of cells. As the output of AFAM, morphology and acoustic images reflect different features of the cells, respectively. However, there are few studies about the fusion of these images. In this paper, a novel method is proposed to fuse these two types of images based on grayscale inversion and selection of best-fit intensity. First, grayscale inversion is used to transform the morphology image into a series of inverted images with different average intensities. Then, the max rule is applied to fuse those inverted images and acoustic images, and a group of pre-fused images is obtained. Finally, a selector is employed to extract and export the expected image with the best-fit intensity among those pre-fused images. The expected image can preserve both the acoustic details of the cells and the background’s gradient information well, which benefits the analysis of the cell’s subcellular structure. The experiments’ results demonstrated that our method could provide the clearest boundaries between the cells and background, and preserve most details from the morphology and acoustic images according to quantitative comparisons, including standard deviation, mutual information, Xydeas and Petrovic metric, feature mutual information, and visual information fidelity fusion.
How Can Physiological Computing Benefit Human-Robot Interaction?

As systems grow more automatized, the human operator is all too often overlooked. Although human-robot interaction (HRI) can be quite demanding in terms of cognitive resources, the mental states (MS) of the operators are not yet taken into account by existing systems. As humans are no providential agents, this lack can lead to hazardous situations. The growing number of neurophysiology and machine learning tools now allows for efficient operators’ MS monitoring. Sending feedback on MS in a closed-loop solution is therefore at hand. Involving a consistent automated planning technique to handle such a process could be a significant asset. This perspective article was meant to provide the reader with a synthesis of the significant literature with a view to implementing systems that adapt to the operator’s MS to improve human-robot operations’ safety and performance. First of all, the need for this approach is detailed regarding remote operation, an example of HRI. Then, several MS identified as crucial for this type of HRI are defined, along with relevant electrophysiological markers. A focus is made on prime degraded MS linked to time-on-task and task demands, as well as collateral MS linked to system outputs (i.e., feedback and alarms). Lastly, the principle of symbiotic HRI is detailed and one solution is proposed to include the operator state vector into the system using a mixed-initiative decisional framework to drive such an interaction.
Development and functional evaluation of pedotransfer functions for soil hydraulic properties for the Zambezi River Basin

Water retention and saturated hydraulic conductivity are soil properties that are key determinants in crop growth and hydrological modelling. They are commonly estimated from basic soil characteristics such as bulk density, organic carbon content and texture by means of pedotransfer functions (PTFs). In order to assess and compare the inherent performance and the functional applicability in the Zambezi River Basin (ZRB) of the widely used Saxton & Rawls PTFs and a set of newly developed PTFs, we compiled measurements of water retention at pF0.0, 1.0, 2.0, 2.8, 3.4 and 4.2 and of saturated hydraulic conductivity (Ksat) on 631 soil samples throughout the ZRB. A total of 329 of the samples were related to 55 soil profiles available in the Africa Soil Profile database, whereas our own field campaign carried out in a 2,426‐km2 subbasin of the ZRB provided the remaining 302 samples related to 119 soil profiles. Apart from evaluating the Saxton & Rawls PTFs, we developed multiple linear regression (MLR) PTFs, and PTFs derived by three machine learning (ML) models: artificial neural network (ANN), random forest (RF) and support vector machine (SVM). All PTFs were first evaluated based on a comparison of the estimated and measured property values by means of R2, mean absolute error (MAE) and root mean squared error (RMSE). For the ensemble of MLR‐PTF and ML‐PTFs, the R2 of the six water content variables and the Ksat ranged from 0.55 to 0.85, whereas for the Saxton & Rawls PTFs the range was between 0.10 and 0.50. Secondly, all PTFs were subjected to a functional evaluation using the Food and Agriculture Organization (FAO) AquaCrop crop growth model. Dry season irrigation requirements for maize as computed by AquaCrop with measured versus estimated soil hydraulic properties revealed that ANN‐PTFs provide AquaCrop outputs that come closest to AquaCrop outputs generated with measured soil hydraulic properties. This study shows the importance of performing functional evaluation of pedotransfer functions before their widespread application.
SHORT COMMUNICATION Evaluation and comparison of hourly solar radiation models

SUMMARY In this paper, an attempt has been made to develop a new model to evaluate the hourly solar radiation for composite climate of New Delhi. The comparison of new model for hourly solar radiation has been carried out by using various model proposed by others. The root mean square error (RMSE) and mean bias error (MBE) have been used to compare the accuracy of new and others model. The results show that the ASHRAE and new proposed model estimate hourly solar radiation better for composite climate of New Delhi in comparison to other models. Hourly solar radiation estimated by constants obtained by new model (modiﬁed ASHRAE model) for composite climate of India is fairly comparable with measured data. The percentage mean bias error with new constants for New Delhi was found as low as 0.15 and 0% for hourly beam and diffuse radiation, respectively. There is a 1.9–8.5% RMSE between observed and predicted values of beam radiation using new constants for clear days. The statistical analysis has been used for the present study. Copyright r 2008 John Wiley & Sons, Ltd.