Miracle-dz/UniFAR-FTUs huggingface dataset:
Inverse Design of Hybrid Organic–Inorganic Perovskites with Suitable Bandgaps via Proactive Searching Progress

Hybrid organic–inorganic perovskites (HOIPs) have shown the encouraging development in solar cells that have achieved excellent device performance. One of the most important issues has been focused on finding Pb-free candidates with suitable bandgaps, which could accelerate the commercialization of environmentally friendly HOIP-based cells. Herein, we propose a new inverse design method, proactive searching progress (PSP), to efficiently discover potential HOIPs from universal chemical space by combining machine learning (ML) techniques. Compared to the pioneering work on this topic, we carried out our ML study based on 1201 collected HOIP samples with experimental bandgaps rather than theoretical properties. On the basis of 25 selected features, a weighted voting regressor ML model was constructed to predict bandgaps of HOIPs. The model comprehensively embedded four submodels and performed the coefficient determinations of 0.95 for leaving-one-out cross-validation and 0.91 for testing set. The feature analysis revealed that the tolerance factor (tf) below 0.971 and the new tolerance factor (τf) in 3.75–4.09 contributed to lower bandgaps and vice versa. By applying the PSP method, the Pb-free HOIPs with optimal bandgaps were successfully designed from a generated chemical space comprising over 8.20 × 1018 combinations, which included 733848 candidates (e.g., Cs0.334FA0.266MA0.400Sn0.769Ge0.003Pd0.228Br0.164I2.836) with an optimal bandgap of 1.34 eV for single junction solar cells, 1511073 large-bandgap candidates (e.g., Cs0.392FA0.016MA0.592Cr0.383Sr0.347Sn0.270Br1.171I1.829) for top parts in tandem solar cells (TSCs), and 20242 low-bandgap ones (e.g., MA0.815FA0.185Sn0.927Ge0.073I3) for bottom cells in TSCs. Finally, three new HOIPs were synthesized with an average bandgap error 0.07 eV between predictions and experiments. We are convinced that the proposed PSP method and ML progress could facilitate the discovery of new promising HOIPs for photovoltaic devices with the desired properties.
VviAGL11 self-regulates and targets hormone- and secondary metabolism-related genes during seed development

Abstract VviAGL11, the Arabidopsis SEEDSTICK homolog, has been proposed to have a causative role in grapevine stenospermocarpy. An association between a mutation in the coding sequence (CDS) and the seedless phenotype was reported, however, no working mechanisms have been demonstrated yet. We performed a deep investigation of the full VviAGL11 gene sequence in a collection of grapevine varieties belonging to several seedlessness classes that revealed three different promoter-CDS combinations. By investigating the expression of the three VviAGL11 alleles, and by evaluating their ability to activate the promoter region, we observed that VviAGL11 self-activates in a specific promoter-CDS combination manner. Furthermore, by transcriptomic analyses on ovule and developing seeds in seeded and seedless varieties and co-expression approaches, candidate VviAGL11 targets were identified and further validated through luciferase assay and in situ hybridization. We demonstrated that VviAGL11 Wild Type CDS activates Methyl jasmonate esterase and Indole-3-acetate beta-glucosyltransferase, both involved in hormone signaling and Isoflavone reductase, involved in secondary metabolism. The dominant-negative effect of the mutated CDS was also functionally ectopically validated in target induction. VviAGL11 was shown to co-localize with its targets in the outer seed coat integument, supporting its direct involvement in seed development, possibly by orchestrating the crosstalk among MeJA, auxin, and isoflavonoids synthesis. In conclusion, the VviAGL11 expression level depends on the promoter-CDS allelic combination, and this will likely affect its ability to activate important triggers of the seed coat development. The dominant-negative effect of the mutated VviAGL11 CDS on the target genes activation was molecularly validated. A new regulatory mechanism correlating VviAGL11 haplotype assortment and seedlessness class in grapevine is proposed.
Automated Global Classification of Surface Layer Stratification Using High‐Resolution Sea Surface Roughness Measurements by Satellite Synthetic Aperture Radar

A three‐state global estimator of marine surface layer atmospheric stratification is demonstrated using more than 600,000 Sentinel‐1 synthetic aperture radar wave mode images at incidence angle ≈36.8°. Stratification is quantified using a bulk Richardson number, Ri, derived from collocated ERA5 surface analyses. The three stratification states are defined as unstable: Ri < −0.012, near‐neutral: −0.012 < Ri < +0.001, and stable: Ri > +0.001. These boundaries are identified by the characteristic boundary layer coherent structures that form in these regimes and modulate the surface roughness imaged by the radar. An automated machine learning algorithm identifies the coherent structures impressed on the images. Data from 2016 to 2019 are used to examine spatial and temporal variation in these state estimates in terms of expected wind and thermal forcing. This new satellite‐based approach for detecting air‐sea stratification has implications for weather modeling and air‐sea flux products.
Real‐time spatio‐temporal trend and level (T&L) filtering scheme for early detection of voltage instability

Discovering early signatures of voltage instability can enhance situational awareness and facilitate emergency control. Such signatures usually appear as decaying trends in load voltages and increase in reactive power output of generators. Discrete control actions such as frequent switching of load tap changer (LTC) and capacitor banks, that are otherwise unmonitored, can also be crucial indicators of a voltage problem. Hence, the authors propose a unified early warning scheme (EWS) for detecting voltage instability. To quantify and correlate spatial, temporal (spatio-temporal) trends and level changes, the authors use a multivariate, adaptive trend and level (T&L) filter. A unique feature of the proposed scheme is the signature authentication, by verifying simultaneity in T&L changes across multivariate time series. The authors show that, by extrapolating trends, limit violations in bus voltages and generator reactive power output can be estimated well in advance. Further, the level-change detection logic is shown to have the ability to detect frequent LTC-actions directly from the bus voltage time series. While the T&L filtering scheme is validated on field phasor measurement unit (PMU) datasets, EWS and emergency control is demonstrated on the classical 10-bus voltage stability test system.
Total Ionizing Dose Effects on Commercial ARM Microcontroller for Low Earth Orbit Satellite Subsystems

Abstract: Despite the harshness of the space radiation on satellite electronic components, some Commercial Of The Shelf (COTS) can sustain such harsh environment. Thus, the low-cost advantage of the COTS can be utilized given that these electronic components meet the technical design requirements of the targeted satellite subsystem. Because of the complexity of microcontrollers and their various integrated functionality, they present a hardness assurance challenge. A careful technique was followed in analyzing the space radiation effects. Then rigorous tests should be conducted to test the performance of the candidate microcontrollers under these effects. This paper presents the predicted dose depth curve and the total ionizing does test results for a commercial ARM microcontroller for Low Earth Orbit (LEO) satellites. Such test results help estimate the effect of space environment on the microcontroller and decide if such microcontroller is an accepted candidate for LEO missions or not.
Response of runoff and nitrogen loadings to climate and land use changes in the middle Fenhe River basin in Northern China

Investigating and understanding the responses of runoff and nitrogen loading to climate and land use change is particularly important for future water resources management. In this article, the Soil and Water Assessment Tool (SWAT) was used to simulate runoff and nitrogen loading in the middle reaches of the Fenhe River. The model was calibrated by the SWAT calibration and uncertainty procedure (SWAT-CUP) to achieve the accuracy of simulating runoff and nitrogen loadings. Furthermore, 20 climate change scenarios and 7 extreme land use change scenarios were set up and run on the calibrated model. The results showed that runoff and nitrogen loading decreased when temperature increased and increased with increasing precipitation. Runoff was more sensitive to changes in precipitation (±10%) than temperature (±2 °C), while nitrogen loading showed the opposite pattern. When the two climatic factors changed in the same direction, the combined effect was larger than either factor alone, whereas the change in the opposite direction produced a weaker effect. The changes produced by different extreme land use scenarios on runoff and nitrogen loading were significantly different and were more obvious during the flood season than in the non-flood season. The results of this study provide a useful guide for water resource managers.
Quality Evaluation of a Checklist for Intubation Preparation in Graduate Medical Education

Background Rapid sequence intubation (RSI) is a multistep process that emergency physicians commonly perform. Unfortunately, there is little published in the graduate medical education literature regarding the use of checklists for RSI education. Methods We developed a pre-intubation checklist for RSI preparation and evaluated emergency medicine residents’ use of it. We developed the checklist using a three-round modified Delphi process among a group of emergency medicine faculty physicians within our institution. Over a three-year period, residents were randomized into two groups: a “checklist group” and a “without-checklist group. ” Residents were then evaluated for RSI critical step completion in a simulated critically ill patient by two independent study investigators. Inter-rater reliability kappa scores were calculated. Following completion of the scenario, residents in both groups were asked to complete an anonymous survey. Both groups had access to the checklist at the time of the survey. The survey was used to determine if they found the checklist helpful. Odds ratios with p-values, at an alpha of 0.05 for significance, were computed for checklist items comparing the checklist and without-checklist groups. Data analysis was performed using SAS software (SAS, Cary, NC v 9.4). This study was approved by the authors’ Institutional Review Board. Results Each assessment was completed by two investigators. Inter-rater reliability was substantial (κ=0.79). Residents having access to the checklist were more likely to verbalize a critical step with a p-value of < 0.0001 and an odds ratio of 2.17 (95% CI: 1.48, 3.19). The checklist group normalized vital signs prior to intubation in 25/28 (89%, 95% CI: 72.81, 96.29) versus only 6/29 (21%, 95% CI: 9.85, 38.39) with a p-value of <0.0001 in the without-checklist group. The checklist group evaluated for difficult laryngoscopy 26/28 (93%, 95% CI: 77.36, 98.02) versus only 21/29 (72%, CI 95% 54.28, 85.30) with p=0.0223 in the without-checklist group. All of the surveyed residents indicated that the checklist would be helpful for future use in the ED. Conclusion This RSI checklist improved adherence to preparatory steps of RSI. Utilizing a checklist increased evaluation for a difficult airway and normalizing vital signs. Residents found the checklist helpful for ED use.
Panaxydol Derived from Panax notoginseng Promotes Nerve Regeneration after Sciatic Nerve Transection in Rats.

BACKGROUND Peripheral nerve regeneration is a coordinated process of Schwann cell (SC) reprogramming and intrinsic neuronal growth program activation. Panaxydol (PND) is a strong biologically active traditional Chinese medicine monomer extracted from Panax notoginseng rhizomes. In vitro, PND protects neurons and SCs from injury and stimulates the expression and secretion of neurotrophic factors (NTFs) by SCs. We hypothesized that PND may also promote peripheral nerve regeneration in adult animals. METHODS PND (10 mg/kg body weight) was injected intraperitoneally into the Sprague-Dawley (SD) rats for two consecutive weeks after sciatic nerve transection. The morphology of the repaired sciatic nerve was evaluated after 16 weeks, and sensory and motor function recovery was evaluated using functional and behavioral techniques. RESULTS PND was biologically safe at an injection dose of 10 mg/kg/day. After 14 days, it significantly increased the myelination of regenerated nerve fibers, and promoted sensory and motor function recovery. In the early stage of injury, PND significantly upregulated the mRNA expression of brain-derived neurotrophic factor (BDNF) and its receptors in distal injured nerves, which may represent a possible mechanism by which PND promotes nerve regeneration in vivo. CONCLUSIONS Our study demonstrated that PND leads to sensory and motor recovery in a sciatic nerve transection model rat. Furthermore, we showed that BDNF mRNA level was significantly increased in the injured distal nerve, potentially contributing to the functional recovery. Further research is warrantied to examine whether direct injection is a more efficient method to increase BDNF expression compared to an exogenous BDNF administration.
Human Factors in Green Building: Building Types and Users’ Needs

The Special Issue on “Human Factors in Green Building” addresses the design of indoor environment quality for users’ needs. The collected papers cover various building types and the research highlights the different needs of users. In working environments, employees’ stress is the main concern in the workplace design, especially for open plan offices where lack of privacy and over exposure to environmental stress have been reported. In residential environments, residents have great opportunities to adjust their environments to suit their needs; therefore, passive design such as natural ventilation is explored in residential buildings with climates such as cold or humid tropical. In healthcare environments, the papers in this issue are concerned with the needs of patients, especially the older adults who require special care. In learning environments, thermal and visual aspects are investigated for optimal comfort conditions and learning outcomes. The special issue demonstrates insightful critical thinking of indoor environment quality and proposes a new understanding for more practical design solutions. This editorial note is a brief review of the 12 papers, concluding with reflections about design of built environments to meet users’ needs.
Solutions to the Classical Liouville Equation

We present solutions to the classical Liouville equation for ergodic and completely integrable systems - systems that are known to attain equilibrium. Ergodic systems are known to thermal equilibrate with a Maxwell-Boltzmann distribution and we show a simple derivation of this distribution that also leads to a derivation of the distribution at any time t. For illustrative purposes, we apply the method to the problem of a one-dimensional gravitational gas even though its ergodicity is debatable. For completely integrable systems, the Liouville equation in the original phase space is rather involved because of the group structure of the integral invariants, which hints of a gauge symmetry. We use Dirac's constrained formalism to show the change in the Liouville equation, which necessitates the introduction of gauge-fixing conditions. We then show that the solution of the Liouville equation is independent of the choice of gauge, which it must be because physical quantities are derived from the distribution. Instead, we derive the solution to the classical Liouville equation in the phase space where the dynamics involve ignorable coordinates, a technique that is akin to the use of the unitarity gauge in spontaneously broken gauge theories to expose the physical degrees of freedom. It turns out the distribution is time-independent and precisely given by the generalized Gibbs ensemble (GGE), which was solved by Jaynes using the method of constrained optimization. As an example, we apply the method to the problem of two particles in 3D interacting via a central potential.
Research of the equivalent relationship between the space vector and the triangular carrier-based PWM modulation strategies in the flying capacitor multilevel inverters

ABSTRACT The equivalent relationship between the carrier-based modulation (CBPWM) and the space vector modulation (SVPWM) based on the flying capacitor multilevel inverters has not been analysed systematically. Due to the redundancies of the flying capacitor multilevel inverters, this paper firstly focuses on the switching sequence and the working ratio of each switching state and then proposes a novel method of decomposing modulation wave. This method can distribute the ratio of redundancies arbitrarily to satisfy the requirements of the output. Taking three- and five-level inverters as examples, by injecting a zero-sequence voltage into the CBPWM modulation wave and then decomposing the new modulation wave, we can get the same sequence of SVPWM modulation. This method takes the advantages of using simple CBPWM to realise the complex output of SVPWM, such as double- and quadruple-frequency output. At last, we deduce the equivalent relationship between the SVPWM and CBPWM in n-level with an arbitrary number of segments. Experimental results verify the correctness of the equivalent relationship.
Comparison of Voltage and Efficiency of a Modified SEPIC Converter without Magnetic Coupling and with Magnetic Coupling

The objective of this paper is to compare and analyze the voltage and efficiency of a modified SEPIC converter without magnetic coupling and with magnetic coupling. A SEPIC converter is a DC-DC converter similar to a buck boost converter only with the advantage of non-inverted output. This paper focuses only on the boost part. SEPIC converter with magnetic coupling utilizes an isolation transformer to improve the gain which leads to higher output voltage and higher efficiency for low input voltage. Solar output voltage is given as an input to the converter and also P and O MPPT technique is applied to extract maximum power from the solar energy. The expected output voltage for SEPIC converter without magnetic coupling for an input voltage of 15V is 150V and efficiency of 91% approximately, while for SEPIC with magnetic coupling the expected output voltage is 300 V for 15 V input and efficiency near about 95%. The results are verified by simulating in MATLAB/SIMULINK software.
Improved Direct Resonant Control for Suppressing Torque Ripple and Reducing Harmonic Current Losses of DFIG-DC System

The most prominent problem of the doubly fed induction generator-dc (DFIG-dc) system is the highly distorted stator voltage due to the diode bridge on stator side. The highly distorted stator voltage not only influences the stator voltage orientation control but also causes harmonic currents and torque ripples. In this paper, an enhanced stator fundamental voltage orientation method is proposed to deal with the highly distorted stator voltage. Furthermore, the relationship between torque ripples and harmonic currents is investigated. And then an improved direct resonant control strategy is proposed for suppressing the torque ripple and reducing the harmonic currents simultaneously. In this way, the loss of harmonic currents can be reduced while suppressing the torque ripple. Finally, the experimental results are presented to validate the effectiveness of the proposed control strategy.
Towards Anion Recognition and Precipitation with Water-Soluble 1,2,4-Selenodiazolium Salts: Combined Structural and Theoretical Study

The synthesis and structural characterization of a series of supramolecular complexes of bicyclic cationic pyridine-fused 1,2,4-selenodiazoles with various anions is reported. The binding of trifluoroacetate, tetrachloroaurate, tetraphenylborate, perrhenate, and pertechnetate anions in the solid state is regarded. All the anions interact with selenodiazolium cations exclusively via a pair of “chelating” Se⋯O and H⋯O non-covalent interactions, which make them an attractive, novel, non-classical supramolecular recognition unit or a synthon. Trifluoroacetate salts were conveniently generated via novel oxidation reaction of 2,2′-dipyridyl diselenide with bis(trifluoroacetoxy)iodo)benzene in the presence of corresponding nitriles. Isolation and structural characterization of transient 2-pyridylselenyl trifluoroacetate was achieved. X-ray analysis has demonstrated that the latter forms dimers in the solid state featuring very short and strong Se⋯O and Se⋯N ChB contacts. 1,2,4-Selenodiazolium trifluoroacetates or halides show good solubility in water. In contrast, (AuCl4)−, (ReO4)−, or (TcO4)− derivatives immediately precipitate from aqueous solutions. Structural features of these supramolecular complexes in the solid state are discussed. The nature and energies of the non-covalent interactions in novel assembles were studied by the theoretical methods. To the best of our knowledge, this is the first study that regards perrhenate and pertechnetate as acceptors in ChB interactions. The results presented here will be useful for further developments in anion recognition and precipitation involving cationic 1,2,4-selenodiazoles.
Atlas inner detector performance and alignment studies

En esta tesis hemos estudiado el rendimiento de los modulos del SCT bajo haz de particulas en el "TestBeam Combinado" (CTB) y realizado estudios detallados para el alineamiento del Detector Interno del experimento ATLAS. En primer lugar trabajamos en la puesta a punto del dispositivo experimental del SCT en el CTB, donde descubrimos un problema de sincronizacion en algunos de los chips del SCT que solucionamos tras modificar su secuencia de inicializacion. Realizamos el alineamiento de los modulos de silicio (Pixel y SCT) tras desarrollar un algoritmo basado en una minimizacion numerica de residuos en un proceso iterativo. Mostramos las mejoras en las distribuciones de residuos y parametros reconstruidos de las trazas tras el alineamiento. Asi mismo obtenemos excelentes resultados comparando el algoritmo desarrollado para esta tesis en relacion a otros algoritmos de alineamiento mas generales disenados especificamente para el detector ATLAS pero aplicados a los datos reales del CTB. Hemos realizado un analisis detallado de las caracteristicas de los modulos del SCT utilizando datos reales del CTB. Encontramos que todos los modulos cumplen las especificaciones impuestas por la colaboracion ATLAS en cuanto a eficiencia y ocupancia de ruido. Hemos determinado la resolucion espacial por plano y en relacion a los puntos tri-dimensionales reconstruidos mediante la combinacion de las medidas en las dos caras de lectura del modulo. Los resultados obtenidos estan en perfecto acuerdo con los valores teoricos esperados. Hemos determinado igualmente el angulo de Lorentz para dos valores del campo magnetico y comprobado su acuerdo con modelos teoricos dentro de errores estadisticos. Finalmente, hemos mostrado resultados cualitativos referentes al estudio de dispersion multiple Coulombiana en los modulos del SCT. En la segunda parte de esta tesis hemos presentado el trabajo realizado en el estudio de los distintos aspectos del alineamiento del