Miracle-dz/UniFAR-FTUs huggingface dataset:
Pyrethroids in an AlphaFold2 Model of the Insect Sodium Channel

Simple Summary Pyrethroids are a major class of insecticides for controlling arthropod pests and human disease transmitting vectors. Resistance to pyrethroid insecticides presents a serious obstacle to effective pest control. One major mechanism of pyrethroid resistance is caused by mutations in the voltage-gated sodium channel, the target of pyrethroid toxic action. Previous mutational analyses, coupled with homology modeling, predicted two pyrethroid receptor sites on insect sodium channels. Mutations that are located in or close to these receptor sites likely confer resistance by directly reducing pyrethroid binding affinity. However, many mutations appear to be far from the receptor sites, and how these mutations confer pyrethroid resistance remains unknown. In this study, we employed the AlphaFold2 neural network to generate new models of mosquito and cockroach sodium channels. We then used computational methods to dock pyrethroids in the open and closed states of sodium channels to understand the atomic mechanisms of interactions between pyrethroids and sodium channels. Our analysis suggests that mutations residing beyond the receptor sites alter the action of pyrethroids by allosterically affecting the geometry of the receptor sites. The information gained from this study could be valuable for a structure-based design of novel pyrethroids. Abstract Pyrethroid insecticides stabilize the open state of insect sodium channels. Previous mutational, electrophysiological, and computational analyses led to the development of homology models predicting two pyrethroid receptor sites, PyR1 and PyR2. Many of the naturally occurring sodium channel mutations, which confer knockdown resistance (kdr) to pyrethroids, are located within or close to these receptor sites, indicating that these mutations impair pyrethroid binding. However, the mechanism of the state-dependent action of pyrethroids and the mechanisms by which kdr mutations beyond the receptor sites confer resistance remain unclear. Recent advances in protein structure prediction using the AlphaFold2 (AF2) neural network allowed us to generate a new model of the mosquito sodium channel AaNav1-1, with the activated voltage-sensing domains (VSMs) and the presumably inactivated pore domain (PM). We further employed Monte Carlo energy minimizations to open PM and deactivate VSM-I and VSM-II to generate additional models. The docking of a Type II pyrethroid deltamethrin in the models predicted its interactions with many known pyrethroid-sensing residues in the PyR1 and PyR2 sites and revealed ligand-channel interactions that stabilized the open PM and activated VSMs. Our study confirms the predicted two pyrethroid receptor sites, explains the state-dependent action of pyrethroids, and proposes the mechanisms of the allosteric effects of various kdr mutations on pyrethroid action. The AF2-based models may assist in the structure-based design of new insecticides.
The statistics of microlensing light curves - I. Amplification probability distributions

The passage of stars through the beam of a lensed quasar can induce violent fluctuations in its apparent brightness. The fluctuations observed in the Huchra lens, (2237+0305), are taken to be the first evidence of this ``microlensing'' occurring in lensing systems. Subsequent microlensing events observed in this system and in other gravitational lenses illustrate that microlensing should be a common phenomenon in lensed quasars. The statistical properties of the component light curves will be defined to a large extent by the mass distribution of the microlensing objects and the internal light distribution of the lensed quasar. We present statistics of a large sample of hypothetical microlensing light curves, for a number of lensing situations, generated using an efficient numerical technique. These artificial light curves show that the amplification probability distributions are independent of the mass function of the compact lensing objects. The amplification probability distributions for the Huchra lens system are presented.
Pedestrian Safety and Driver Yielding Near Public Transit Stops

Pedestrian crashes are a pronounced threat to public safety. Numerous factors have been linked to their recent increase, such as higher pedestrian and vehicle volume, proximity to bus stops, as well as increased distraction and other risky driving behaviors that result in poor yielding rates. Reducing the conditions that lead to pedestrian crashes involves not only changes to roadways and crosswalks, but also changing the cultural influences that tolerate unacceptable driver behaviors. A multi-faceted approach was implemented to improve driver compliance with pedestrian laws. Average stopping behavior was observed to be significantly poorer at sites in near proximity to bus stops. The planned multi-faceted intervention improved yielding rates and multiple-threat passing rates over time. Public transit vehicles were significantly more likely to stop for pedestrians than the rest of the fleet and had a disproportionate improvement in response to high-visibility police enforcement with ticketing compared with the rest of the fleet. Overall, the study replicates the effectiveness of high-visibility enforcement and outreach on increasing yielding rates to pedestrians, generalizes this effect to both passing behavior and public transit, and links past research showing significantly higher pedestrian crash rates with poorer yielding of drivers near sites close to bus stops.
Large-Window Curvature Computations for High-Resolution Digital Elevation Models

With the increasing availability of high-resolution digital elevation model (DEM) data, a need has emerged for new processing techniques. Topographic variables, such as slope and curvature, are relevant on length scales far larger than the pixel resolution of modern DEM datasets. An approach for computing slope and curvature is proposed that uses standard regression coefficients over large windows while generating output on the full resolution of the original data, without adding substantially to the computation time. In the proposed window-aggregation approach, aggregates for fitting a quadratic function are computed iteratively from the DEM data in a process that scales logarithmically with the window size. It is shown that the window-aggregation algorithm produces the results of much higher quality than the two-step process of applying neighborhood operations such as focal statistics followed by small-window topographic computations, at comparable computational cost.
Resistance towards Critically Important Antimicrobials among Enterococcus faecalis and E. faecium in Poultry Farm Environments in Selangor, Malaysia

Multidrug resistant (MDR) enterococci pose significant public health challenges. However, the extent of resistance in the environment is less explored. This study aimed to determine the antibiotic resistance in a poultry farm environment. Eighty enterococcal isolates recovered from the soil and effluent water of 28 poultry farms in Selangor state were included in the study for further bacterial identification and antibiotic susceptibility testing using a VITEK 2 system. Data were analyzed using Statistical Package for Social Science (SPSS) version 27. The resistance rate and MDR of enterococcal isolates were reported. Out of 80 isolates recovered, 72 (90%) exhibited resistance to at least one antibiotic, with 50 isolates (62.5%) being found to be MDR. All linezolid-resistant enterococci (LRE) exhibit MDR, which constituted 40% of resistance among all the isolates recovered from poultry environment. Since linezolid is listed as critically important antibiotics for clinical use by the World Health Organization (WHO), the higher resistance towards it and other critically important antibiotic for human use is a serious concern. Hence, relevant agencies need to investigate the use of clinically important antimicrobials in poultry farms paying special attention towards linezolid or any other antibiotics that can facilitate the development of LRE.
Strain relaxation due to V-pit formation in InxGa1−xN∕GaN epilayers grown on sapphire

Strain relaxation in semiconductor heterostructures generally occurs through the motion of dislocations that generates misfit dislocations above a critical thickness. However, majority of the threading dislocations in GaN-related materials have no driving force to glide, and those with a driving force are kinetically impeded even at a temperature of 1000 °C. In spite of this, the strain in InxGa1−xN∕GaN epilayers grown on c-plane sapphire substrates was observed to decrease as the InxGa1−xN layer becomes thicker. We have explored the possibility of V-pit formation at terminated dislocations as the predominant relaxation mechanism in highly mismatched systems such as InxGa1−xN∕GaN. We demonstrate that a driving force exists to nucleate V pits for strain relief. The formation of V pits was modeled through the energy balance between the strain energy in the InxGa1−xN epilayer, the destruction of dislocation energy to form V pits and the strain that is relieved due to the formation of edges during the process.
THE EFFECT OF PERSONAL AND SOCIAL COMPETENCES ON COUNSELORS’ RESPONSIVE SERVICES

One of the most frequently provided services by school counselors is responsive service. For this reason, it is very important to understand the performance of school counselors in responsive services and the factors that influence these services. The objective of this study was to obtain a detailed description of school counselors’ performance in responsive services, self-knowledge, self-confidence, confidence in others and communication skills in Makassar. A quantitative ex post facto research design was employed. This study involved 128 counselors from public junior and senior high schools in Makassar. The participants were chosen using a simple random technique. The data were collected using a Likert-scale questionnaire. Data analysis utilized descriptive statistics as well as inferential statistics via regression analysis. The study results demonstrate that the counselors’ performance in responsive services, self-knowledge linked to responsive services, self-confidence, and confidence in students when conducting responsive services are moderately high. In contrast, the basic communication skills exhibited by the counselors are high. The counselors’ self-knowledge, self-confidence, confidence in students, and basic communication skills, respectively, have a favorable influence on the counselors’ performance in responsive services. As a simultaneous process, the counselors’ self-knowledge, confidence (in themselves and in students), and basic communication skills positively affect their performance in responsive services.
Do water savings persist? Using survival models to plan for long-term responses to extreme drought

Water utilities must maintain reliable service in a world where climate shocks and other socio-economic and health stressors are likely to disrupt water availability and demand more frequently. Understanding short- and long-term customer responses to these salient events is critical for infrastructure planning and capital investment. Although the short-term demand impacts of extreme droughts and related policy measures have been studied extensively, less is known about how these impacts persist—especially when driven by public awareness, media coverage, or other external drivers. Here, we introduce a novel approach combining survival models and change detection to assess water demand conservation ‘survival’ and rebound, using this method to analyze residential water demand in Costa Mesa, California after the state’s record-breaking 2012–2016 drought. We find that, of 54% of customers with detected savings in 2014–2015, just 25% rebounded to prior consumption levels after 5 years, implying mean conservation survival of 8 years. Survival was greater in young and politically progressive neighborhoods, smaller in residences with occupancy changes, and not significantly associated with water-efficiency rebates. Comparing the 2012–2016 drought to California’s milder 2007–2009 drought shows no evidence that drought severity associated with water savings persistence. This study presents an innovative approach to measure impacts of various stressors and their long-term water demand impacts. Our method enables utilities to more accurately discern structural changes in water demand, better informing strategic planning for short- and long-term water reliability and security.
The Modulation of Ubiquinone, a Lipid Antioxidant, on Neuronal Voltage-Gated Sodium Current

Ubiquinone, composed of a 1,4-benzoquinone and naturally produced in the body, actively participates in the mitochondrial redox reaction and functions as an endogenous lipid antioxidant, protecting against peroxidation in the pituitary-dependent hormonal system. However, the questions of if and how ubiquinone directly affects neuronal ionic currents remain largely unsettled. We investigated its effects on ionic currents in pituitary neurons (GH3 and MMQ cells) with the aid of patch-clamp technology. Ubiquinone decreased the peak amplitude of the voltage-gated Na+ current (INa) with a slowing of the inactivation rate. Neither menadione nor superoxide dismutase modified the ubiquinone-induced INa inhibition. In response to an isosceles-triangular ramp pulse, the persistent INa (INa(P)) at high- and low- threshold potentials occurred concurrently with a figure-eight hysteresis loop. With ubiquinone, the INa(P) increased with no change in the intersection voltage, and the magnitude of the voltage-dependent hysteresis of the current was enhanced. Ubiquinone was ineffective in modifying the gating of hyperpolarization-activated cation currents. In MMQ lactotrophs, ubiquinone effectively decreased the amplitude of the INa and the current inactivation rate. In sum, the effects of ubiquinone demonstrated herein occur upstream of its effects on mitochondrial redox processes, involved in its modulation of sodium channels and neuronal excitability.
A Synthetic Feature Processing Method for Remaining Useful Life Prediction of Rolling Bearings

In the context of industrial big data, the data-driven remaining useful life prediction for rolling bearings has been greatly developed. Aimed at the shortcomings of feature selection, feature fusion, and health state segment, this article proposes a synthetic feature processing method for remaining useful life prediction of rolling bearings. First, a double-layer feature selection method is proposed to screen the feature subset from the candidate features in order to lift the degradation trend sensibility and eliminate redundancy. Second, the health indicator is constructed by a comprehensive method based on the adaptive feature fusion method and auto association kernel regression model. Third, the bottom-up algorithm is utilized to divide the health states of health indicator and obtain the first prediction time point. In this way, the remaining useful life prediction error brought by random-state dividing can be avoided. Finally, in the case of dynamic working conditions and multiple failure modes, the remaining useful life prediction model is built by long short-term memory neural network and piecewise linear fitting health indicator to map the relationship between fitting health indicator and remaining useful life. The proposed piecewise linear fitting health indicator is compared with the original health indicator and original vibration signal. The experimental results demonstrate the more robust and accurate prediction effectiveness of the method.
Complexities in Data Stream Generation of Model 3D Scenes for IR Time Differentiating Sensors

Nowadays robotics demand rapid visual sensors for an environmental analysis. Unfortunately, frame-by-frame photodetectors can hardly provide required characteristics. There are some sensor design techniques for a visible range photodetector, which are highly likely to improve infrared photonic sensors. In order to implement such sensor, there is a need for thorough sensor model study. Using the infrared scene simulation software, we are working up a series of model experiments taking into account a plenty of sensor model features. In this paper we show the complexities in data stream generation for an infrared photonic sensor model proposed. A brief analysis of the most popular 3D file formats is provided as well as a method to implement scene model dynamics. Using the technique proposed smooth and correctly interpolated animations were achieved. For simulation results analysis to be saved we provide a custom high dynamic range image format and data correct colormap representation. Such approach allows careful analysis to be done in situ or using almost any available image inspection tool. A short review of modern image formats is also presented.
The Early and Late Postoperative Complications of Pediatric Neuromuscular Scoliosis at King Abdulaziz Medical City, Riyadh, Saudi Arabia: A Case Series

Background Neuromuscular Scoliosis (NMS) is defined as “a coronal plane spinal curvature of 10 degrees or more, measured by the Cobb method, in the setting of muscle imbalance secondary to an underlying neuropathic or myopathic disease”. Patients who have the disease usually manifest with diminished balance, asymmetrical seating, abnormal gait, and decreased pulmonary function, which are related to the change in spine posture. Surgery benefits patients with NMS in terms of stopping disease advancement and improving quality of life, but is known to be associated with certain complications in this population. The aim of this study is to identify the most common complication in NMS patients after surgical correction. Methods This study is a chart review-based retrospective case series that has covered patients’ data going from 2015 to 2019. The study focused on patients who underwent scoliosis correction surgery of both genders and mainly of a single ethnicity, with the inclusion of patients aged 9 to 18 years old. Under consecutive sampling, the study has met a sample size of 14 patients. Results Most of the study subjects nine (64%) were female. The age median was 13 years (2.25). The highest documented intraoperative complication was blood loss in 11 (79%) patients. The most prevalent early postoperative complication was urinary tract infection in two (14%) patients. No late postoperative complications were documented in the study. Conclusion The study concluded that blood loss was the most common intraoperative complication. Pulmonary problems were one of the least reported complications. Possible reasons for these findings and prevention methods should be the focus of future studies.
The Effects of Biostimulant Application on Growth Parameters of Lettuce Plants Grown under Deficit Irrigation Conditions

: The aim of the present study was to examine the potential ameliorative effects of biostimulant application on lettuce plants grown under deficit irrigation conditions. For this purpose, we evaluated the effect of five biostimulant products with varied composition (e.g., seaweed ex-tracts+macronutrients+amino acids (SW); humic+fulvic acids (HF); Si + Ca (SiC); Si (Si); vegetable proteins+amino acids (VP)) and the control treatment (no biostimulant added (NB)) on field grown lettuce plants ( Lactuca sativa L.: Romaine type cv. Doris) under deficit irrigation conditions (Control treatment: rain-fed plants; I1: 50% of field capacity; I2: 100% of field capacity). The growth parameters tested were plant weight (aerial part), number of leaves, fresh and dry weight of leaves, plant height, leaf area index (LAI) and specific leaf area (SLA), and SPAD index. Our results indicate that the biostimulant with seaweed extracts+macronutrients+amino acids (SW) combined with deficient irrigation (I1) presented the highest values in terms of plant weight, leaf weight, LAI as well as the chlorophyll content in lettuce plants. According to SPAD values, the biostimulants treatments performed higher values of chlorophyll in the case of rain-fed plants compared to those that were fully irrigated (I2). Also, the Si treatment presented the higher plant height under deficit irrigation (I1) as also the greatest number of leaves. In general, all biostimulants showed a better response to deficit irrigation and to rain-fed plants compared to those with full irrigation in almost all measurements.
Impact of WO3-Nanoparticles on Silicone Rubber for Radiation Protection Efficiency

Silicone rubbers are a good choice for shielding materials because of having elastic and attenuating properties as well as cost-effectiveness. Thus, the aim of this study was to prepare ground-breaking silicone rubber samples by adding WO3-nanoparticles and testing the performance of their radiation shielding ability against Cs-137, Co-60, and Am-241 gamma energy. Increasing the concentration of WO3 nanoparticles in silicone rubber (SR) led to decreasing the half-value layer (HVL) and mean free path (MFP) values determined for the samples tested. Furthermore, the values of MFP and HVL upsurged according to the enhancement of the photon energy. It is noteworthy that the prepared silicone rubber (SR) systems with 50 and 60 wt% concentrations of WO3-nanoparticles displayed lower HVL than the Bi2O3-containing silicone rubber (SR) systems. In the same way, studied silicone rubber SR-W60 represented the lowest HVL comprising iron ore containing silicone rubber.
BIOGAS PRODUCTION IN DAIRY CATTLE SYSTEMS, USING BATCH DIGESTERS WITH AND WITHOUT SOLIDS SEPARATION IN THE SUBSTRATES

This research aimed to evaluate the biogas production during the anaerobic biodigestion process of dairy cattle manure, with and without solids separation. Sixteen biodigesters of the batch type were used, each one with 2L of capacity, supplied with manure in four different conditions: (1) pure manure, after washing the floors of the free stall system; (2) manure after the solids separator; (3) manure after the solids separator and sand decanter and (4) manure with the solid retained in separator solids, dissolved in water. The hydraulic retention time was of 196 days. The highest reductions of volatile solids (VS) were obtained for the biodigesters supplied with manure that went through some process of solids separation. The highest potential of methane production(CH4) obtained was of 0.2686 m3 CH4 kg -1 of added VS, supplied to digesters with manure after solids separator. The best potential for biogas and methane production was observed when there was a reduction of the solids concentration in the manure and, in this case, the hydraulic retention time can be reduced, which reduces the volume of the biodigester and the cost of implementation and maintenance, but the highest biogas production occurred in the biodigesters without solids separation.
Transition from Sublimation to Growth in Thermal Smoothing and Roughening of GaAs Surfaces

Earlier a technique was developed for thermal GaAs smoothing by annealing in the presence of Ga and As vapors. The vapors were provided in a narrow gap between two GaAs samples, or by annealing in a closed container with a Ga-As melt. At annealing temperatures up to 650°C this technique yielded step-terraced GaAs surfaces. At increased temperatures, the transition from smoothing to kinetic-driven roughening was observed. This roughening revealed itself in the formation of islands (for sublimation) and holes (for growth) of multilayer height and depth. They are formed as a result of step motion through surface areas, where the sublimation and growth did not occur. These spots also act as step stopping centers and lead to step bunching. In this paper we present the results of additional experiments which clarify the reasons of the transition from sublimation to growth (i.e. from islands to holes) in the surface roughening at elevated temperatures. The thermal smoothing technique is further developed to reduce the role of surface roughening. This development allowed us to increase the GaAs smoothing temperature up to 775°C.