Miracle-dz/UniFAR-FTUs huggingface dataset:
Methanol Oxidation to Formaldehyde on VSiBEA Zeolite: A Combined DFT/vdW/Transition Path Sampling and Experimental Study

Density functional calculations have been performed applying periodic boundary conditions to investigate the oxidation of methanol on vanadium-containing SiBEA zeolite (VSiBEA). Different types of reaction configurations have been set up in conformity with the experimental conditions. Thermodynamic property calculations for T > 0 K have been performed and compared with the available experimental results. Transition path sampling was employed to unravel the reaction mechanisms for oxidation of methanol on vanadium-containing SiBEA zeolites at three temperatures (300, 415, and 523 K). Dispersion interactions were accounted for by adding a damped dispersion term to the PBE energies. The study of different reaction pathways was combined with experimental data that enabled us to shed more light on the reaction mechanism.
Concentration-Dependent Fluorescence Properties of Rhodamine 6G in Titanium Dioxide and Silicon Dioxide Nanolayers

Thin films of rhodamine 6G in titanium dioxide (Rh6G/TiO2) and silicon dioxide (Rh6G/SiO2) were synthesized using the sol–gel method. We explored two kinds of matrices as hosts for rhodamine 6G (Rh6G) at different concentrations of the dye. The pronounced effect of the dye concentration on the absorption and fluorescence spectra as well as on time-resolved fluorescence spectra was found. In particular, it was found that the aggregation of the guest dye is significantly weaker in the Rh6G/TiO2 nanolayer. The absence of an isosbestic point in absorption spectra in a silica matrix suggests the formation of higher order aggregates, whereas the changes of absorption profile in Rh6G/TiO2 matrix indicate the formation of dimers. Rh6G aggregates are strongly fluorescent in Rh6G/TiO2 nanolayer, which can be seen from time-resolved and steady-state emission spectra. For Rh6G/SiO2 nanolayers these changes are much less pronounced and concern mostly the red shift of the fluorescence maximum.
Hospital Contacts for Psychiatric Disorders in Parents of Children With Cancer in Denmark

Abstract Background Having a child diagnosed with cancer is a devastating experience that may affect parents’ mental health. We aimed to assess the risk of hospital contacts for psychiatric disorders in parents of children with cancer. Methods We conducted a nationwide population-based cohort study using Danish registry data. Parents of children diagnosed with cancer between 1982 and 2014 (n = 6689 mothers, n = 5509 fathers) were matched with comparison parents of cancer-free children (n = 67 544 mothers, n = 55 756 fathers). We used Cox proportional hazards models to estimate the risk of hospital contacts for any psychiatric disorder and specific disorders. Cox models were also used to investigate sociodemographic and cancer-related risk factors for psychiatric disorders. Results Incidence rates of hospital contacts for any psychiatric disorder were 426 per 100 000 person-years in mothers of children with cancer and 345 per 100 000 person-years in comparison mothers. For fathers, the respective incidence rates were 260 and 262 cases per 100 000 person-years. Compared with parents of cancer-free children, mothers of children with cancer were at an increased risk of hospital contacts for any psychiatric disorder (hazard ratio = 1.23, 95% confidence interval = 1.12 to 1.36), whereas no elevated risk was seen in fathers (hazard ratio = 0.99, 95% confidence interval = 0.87 to 1.13). Among mothers, risks were particularly elevated for affective and stress-related disorders. Parents of deceased children and children diagnosed at a younger age were at particular risk of hospital contacts for psychiatric disorders. Conclusion Hospital contacts for psychiatric disorders were overall rare. Health-care professionals should draw attention to subgroups of vulnerable parents to meet their needs of support and adequate treatment.
Selection and Evaluation of Potential Reference Genes for Quantitative Real-Time PCR in Agaricus blazei Based on Transcriptome Sequencing Data

Quantitative real-time PCR (qRT-PCR) is widely used to detect gene expression due to its high sensitivity, high throughput, and convenience. The accurate choice of reference genes is required for normalization of gene expression in qRT-PCR analysis. In order to identify the optimal candidates for gene expression analysis using qRT-PCR in Agaricus blazei, we studied the potential reference genes in this economically important edible fungus. In this study, transcriptome datasets were used as source for identification of candidate reference genes. And 27 potential reference genes including 21 newly stable genes, three classical housekeeping genes, and homologous genes of three ideal reference genes in Volvariella volvacea, were screened based on transcriptome datasets of A. blazei and previous studies. The expression stability of these genes was investigated by qRT-PCR analysis and further evaluated by four software packages, geNorm, NormFinder, BestKeeper, and RefFinder. Among these candidates, α-TUB (Tubulin alpha) and Cox5a (COX5A subunit VA of cytochrome c oxidase) were revealed as the most stable in fruit body, and suitable for 5 different developmental stages. α-TUB and ATP3 (ATP3 gamma subunit of the F1 sector of mitochondrial F1F0 ATP synthase) showed the most stable expression in stipe tissues and, Uqcrc (core subunit of the ubiquinol-cytochrome c reductase complex) and PUP3 (20S proteasome subunit beta 3) performed well in pileus tissues during the process of A. blazei development, while GAPDH (glyceraldehyde-3-phosphate dehydrogenase) was among the least stable genes in all sample sets. Finally, the Ableln3 (homology of eln3 gene of Coprinus cinereus) was adopted to validate the reliability of these stable and unstable reference genes, indicating that the use of unsuitable reference genes as internal controls could change the target gene’s expression pattern. This study can provide guidance for choosing reference genes for analyzing the expression pattern of target genes and facilitate the functional genomic investigation on fruit body formation and development, as well as stipe elongation and pileus expansion in A. blazei.
Data Envelopment Analysis and Malmquist Index Application: Efficiency of Primary Health Care in Morocco and Covid-19

Article History: Received: 11 January 2021; Accepted: 27 February 2021; Published online: 5 April 2021 Abstract: The Primary Health Care in Morocco plays a very strategic role in the prevention against various diseases, in particular the current pandemic COVID 19. The efficiency of these centers has a direct impact on the reduction of this pandemic. First, this is why will try to research the literature review about the technical efficiency of primary health care. In the second step, the non-parametric: Data Envelopment Analysis method will be used to apply the empiric phase during the period 2012-2015, to estimate the relative technical efficiency, this method will be calculated by using two models: the theory of the return to scale constant with a middle equal to 0.437 and the theory of the variable return to scale with an average of 0.537. It’s necessary to combine the DEA approach with the Malmquist index to evaluate the factors of production. Finally, to compare the results of the proposed method which are generally very poor, and discuss his policy implications for health care.
Interoception as a social alarm amplification system. What multimethod (EEG-fNIRS) integrated measures can tell us about interoception and empathy for pain?

We examined whether the modulation of Interoceptive Attentiveness (IA) influences the cortical correlates of observation of pain in others. Healthy participants observed painful/non-painful stimuli while brain response [oxygenated and deoxygenated hemoglobin (O2Hb; HHb), and electroencephalographic cortical oscillations] was measured. Participants were divided into experimental (EXP) and control group: EXP group was required to focus on its interoceptive correlates during the task. Interpersonal Reactivity Index (IRI) scale was administered to test empathic traits. Focusing on prefrontal cortex activity, theta band and O2Hb in the right frontal hemisphere while observing painful stimuli positively correlates in the EXP. Delta band and O2Hb in left frontal hemisphere for non-painful stimuli positively correlates in controls. IRI (Perspective Taking and Empathic Concern subscales) and right frontal activity for painful stimuli negatively correlates in the EXP. Findings were discussed in light of the modulating role of IA in enhancing the negative experience of observing pain in others.
Simple and Fast Generalized - M (GM) Estimator and Its Application to Real Data Set

It is now evident that some robust methods such as MM-estimator do not address the concept of bounded influence function, which means that their estimates still be affected by outliers in the X directions or high leverage points (HLPs), even though they have high efficiency and high breakdown point (BDP). The Generalized M(GM) estimator, such as the GM6 estimator is put forward with the main aim of making a bound for the influence of HLPs by some weight function. The limitation of GM6 is that it gives lower weight to both bad leverage points (BLPs) and good leverage points (GLPs) which make its efficiency decreases when more GLPs are present in a data set. Moreover, the GM6 takes longer computational time. In this paper, we develop a new version of GM-estimator which is based on simple and fast algorithm. The attractive feature of this method is that it only downs weights BLPs and vertical outliers (VOs) and increases its efficiency. The merit of our proposed GM estimator is studied by simulation study and well-known aircraft data set.
Acupuncture an alternative treatment for patients with refractory sudden sensorineural hearing loss

Objectives: This study aims to investigate the effect of acupuncture treatment on hearing and tinnitus in patients with sudden sensorineural hearing loss (SNHL) refractory to treatment. Patients and Methods: Between January 2013 and May 2015, a total of 25 patients (8 males, 17 females; median age: 43.3 years; range, 18 to 65 years) resistant to medical treatment who underwent acupuncture as salvage therapy were retrospectively analyzed. The patients were evaluated with pure-tone audiometry, Speech Discrimination Score (SDS), and Tinnitus Handicap Inventory (THI) at pre-treatment (T0), and after 10th (T1) and 20th sessions (T2) of acupuncture. Results: Hearing loss evaluated according to the four-frequency pure-tone average (PTA; 500, 1,000, 2,000, and 4,000 kHz) showed a statistically significant improvement at the end of the 10th session of acupuncture (p=0.017). There was also a significant improvement in the PTA values of the worst three consecutive frequencies at the end of the 20th session (p=0.034). A significant improvement in SDS (p=0.022) and THI (p<0.001) was found at the end of the 20th session. Conclusion: Acupuncture treatment yields promising results in the improvement of PTA. The therapeutic effect of acupuncture is also evident in the treatment of tinnitus secondary to SNHL.
Extreme Learning Machine Based on Calculating the Output Weight of Partial Robust M-regression

In order to improve the nonlinear mapping capability and learning performance of extreme learning machine (ELM), a new learning algorithm called extreme learning machine based on calculating the output weight of partial robust M-regression is proposed. This algorithm introduces the partial robust M-regression into the extreme learning machine algorithm. Firstly, the hidden layer output matrix H is calculated by extreme learning machine. Secondly, the matrix H and vector Y are weighted by weighted strategy. Then, PRM algorithm is used to establish the regression model between the weighted matrix Hw and vector Yw, and calculate its regression coefficient, namely output weight of the ELM Algorithm. The proposed method predicts the Mackay’s robot arm regression and sediment concentration of the Yellow River Basin to verify the effectiveness of the method. The simulation results show that the proposed PRMELM algorithm is superior to the original extreme learning machine algorithm in prediction accuracy and generalization performance.
Contribution For Improvement Of Rice Breeding Programs Through Morphoanatomical Traits

Breeding programs aim to increase grain yield and quality through selection oriented mostly by morphological and productive traits. Although morphoanatomical traits are preponderant for plant performance, they are usually time-consuming, demanding specific equipment and trained personnel. The aim of the study is to establish relationships among morphological, micromorphological and anatomical traits of rice genotypes, to support rice breeders in choosing variables to be assessed in the search for superior rice genotypes. We assessed morphological (2 leaf and root lengths, tiller and root number), micromorphological (vein density, intervein distance, stomatal density and opening width) and anatomical (area of sclerenchyma, xylem and phloem vessels, and percentage of aerenchyma) traits. Root number and length, area of sclerenchyma and xylem and phloem vessels are proposed to be the most efficient traits to be assessed in detailed studies aiming to identify superior genotypes in rice breeding programs, from the morphophysiological point of view.
Ligand-Induced and -Independent Internalization of the Chemerin Receptor GPR1

1. Tight regulation of cytokines is essential for the initiation and resolution of inflammation. Chemerin, a mediator of innate immunity, mainly acts on chemokine-like receptor 1 (CMKLR1) to induce the migration of macrophages and dendritic cells. The role of the second chemerin receptor, G protein-coupled receptor 1 (GPR1), is still unclear. Here we demonstrate that GPR1 shows ligand-induced arrestin3 recruitment and internalization. The chemerin C-terminus triggers this activation by folding into a loop structure, binding to aromatic residues in the extracellular loops of GPR1. While this overall binding mode is shared between GPR1 and CMKLR1, differences in their respective extracellular loop 2 allowed for the design of the first GPR1-selective peptide. However, our results suggest that ligand-induced arrestin recruitment is not the only mode of action of GPR1. This receptor also displays constitutive internalization and recycling, which allows GPR1 to internalize inactive peptides efficiently by an activation-independent pathway. Our results demonstrate that GPR1 takes a dual role in regulating chemerin activity: As a signaling receptor for arrestin-based signaling on one hand, and as a scavenging receptor with broader ligand specificity on the other.
The spatial diffusion of homicide in Mexico City: a test of theories in context

ABSTRACT Homicidal violence has increased substantially in Mexico City in recent years. In this regard, we ask three questions: First, is there a contagious spread of this violence across neighbourhoods? Second, does it spread in association with drug market activity among local criminal organisations? Third, does it spread to neighbourhoods characterised by concentrated disadvantage, disorder, and crime opportunity? Using homicide data aggregated at the neighbourhood level, we found the contagious spread of homicidal violence in neighbourhoods already troubled with drug dealing crimes and concentrated disadvantage. Based on our findings, we propose that while some theories are able to explain the spatial clustering of homicide, only social disorganisation theory is capable of predicting its spatial diffusion. Furthermore, we argue that advances in criminological theory require the testing of ad-hoc correlates when studying the Latin American context.
Water Conflicts: From Ancient to Modern Times and in the Future

Since prehistoric times, water conflicts have occurred as a result of a wide range of tensions and/or violence, which have rarely taken the form of traditional warfare waged over water resources alone. Instead, water has historically been a (re)source of tension and a factor in conflicts that start for other reasons. In some cases, water was used directly as a weapon through its ability to cause damage through deprivation or erosion or water resources of enemy populations and their armies. However, water conflicts, both past and present, arise for several reasons; including territorial disputes, fight for resources, and strategic advantage. The main reasons of water conflicts are usually delimitation of boundaries, waterlogging (e.g., dams and lakes), diversion of rivers flow, running water, food, and political distresses. In recent decades, the number of human casualties caused by water conflicts is more than that of natural disasters, indicating the importance of emerging trends on water wars in the world. This paper presents arguments, fights, discourses, and conflicts around water from ancient times to the present. This diachronic survey attempts to provide water governance alternatives for the current and future.
Impact of climate change and Coronavirus Disease (COVID-19) on inflation in Indonesia

The novel coronavirus COVID-19 outbreak was first reported in Indonesia on March 2, 2020 and then it called for prevention. At the same time, emissions of carbon dioxide reported to have decreased that imply global climate change. Furthermore, the climate change due to a reduction in CO2 emissions during the COVID-19 pandemic affected the demand and supply side of goods and services which in turn had an impact on the economy. One of important indicators in macroeconomics is the inflation rate. Therefore, this study aims to examine the impact of climate change due to the reduction of CO2 emissions during the COVID-19 pandemic and Coronavirus disease on inflation and food inflation in Indonesia. This study uses time series daily data and analysis using Ordinary Least Squares (OLS). The result show that the number of COVID-19 cases has a negative effect on both inflation and food inflation, while the number of recovered cases has a positive effect on both dependent variables. The number of death is only significant to the inflation rate, but it is not significant to the food inflation. The variable of temperature as a proxy variable of climate change has negative influence to the food inflation, but it has not any effects to the inflation rate. In addition, the level of citizen compliance with physical distancing will determine the level of CO2 emission reduction.
Research of gel systems stability in relation to additive technologies

The study of thermokinetics and rheology of gel systems based on agarose gel was performed. The dependences of the spectral characteristics of both pure gels and gels with special additives in the conditions of the “cooling-heating-cooling” transition process are obtained. The effect of hysteresis of the studied samples during the transition from a liquid solution to a gel and back was found. The presented results can be useful for the development of a promising 3D-bioprinting technology, for the design and selection of operating modes of printing devices.
A National Survey of the Social and Emotional Differences Reported by Adults with Disability in Ireland Compared to the General Population

The disadvantages experienced by adult persons with disabilities are well documented. However, limited evidence is available on the extent of differences in comparison with the non-disabled population. In this study, selected indicators of social status and mental wellbeing derived from past research, were used with national samples of adult persons in Ireland with a disability (n = 440) and without a disability (n = 880) recruited through household quota sampling. In addition, comparisons were drawn with equivalent data derived from a contemporaneous national census. Although many of the differences were statistically significant, the effect sizes were mostly medium to low. Moreover, when the inter-relationships among the various indicators was taken into account using Discriminant Analysis, persons with disabilities were less likely to be employed; they reported lower levels of social engagement and had poorer emotional wellbeing. They were also older, more likely to be single and have no children. The study illustrates the potential of using comparative data to monitor the impact of national actions taken to reduce the inequalities experienced by persons with disability as well as highlighting the arenas into which professional supports need to be focused.
A Multi Objective Evolutionary Algorithm for the Parameters Extraction of Organic Thin Film Transistors Models

Thanks to their peculiar features, organic transistors are proving to be a valuable alternative to traditional semiconducting devices in several application fields; however, before releasing their exploitation, simulating their behaviour through adequate circuital models could be advisable during the design stage of electronic circuits and/or boards. Consequently, accurately extracting the parameter value of those models is fundamental to developing useful libraries for hardware design environments. To face the considered problem, the authors present a method based on successive application of Single- and Multi-Objective Evolutionary Algorithm for the optimal tuning of model parameters of organic transistors on thin film (OTFT). In particular, parameters are first roughly estimated to assure the best fit with the experimental transfer characteristics; the estimates are successively refined through the multi-objective strategy by also matching the values of the experimental mobility. The performance of the method has been assessed by estimating the parameters value of both P-type and N-type OTFTs characterized by different values of channel lengths; the obtained results evidence that the proposed method can obtain suitable parameters values for all the considered channel lengths.
Computer Self-Efficacy and Organizational Culture In Affecting Technology Acceptance Model

As the leading provider of education, teachers need to have high technology adoption skills. There is LMS technology in inputs that can streamline learning practices. Mostly with inclusion of the impact of organizational culture and machine self-efficacy on LMS Schoology, this study aims to see the capacity of technology acceptance by teachers using the Technology Acceptance Model (TAM). The results of the study using the model described above for teachers in the cities of Salatiga and Boyolali show that organizational culture does not have a major impact on attitude or purpose to use towards LMS Schoology.The self-efficacy of computers may not affect perceived utility, but has a substantial impact on perceived ease of use. The model also indicates that teachers, while they find it difficult to incorporate it, have a positive attitude towards the nature of LMS technology.
Protein-Promoted Synthesis of Pt Nanoparticles on Carbon Nanotubes for Electrocatalytic Nanohybrids with Enhanced Glucose Sensing

A facile and effective strategy to create carbon nanotube (CNT)-based platinum nanoparticle (PtNP) nanohybrids is reported in this work. First, we prepared toluene-soluble CNTs by modifying CNTs with a bifunctional linker, Z-glycine N-succinimidyl ester (Z-Gly-OSu), and then we synthesized super-water-soluble CNT–hemoglobin (HGB) hybrid nanofibers (about 5 mg/mL) by phase-transferring the Z-Gly-OSu-modified CNTs from toluene to HGB aqueous solution. The prepared CNT–HGB nanofibers were used as templates to bind PtCl62– ions by electrostatic interaction between proteins and negatively charged ions. CNT–PtNP nanohybrids were successfully synthesized by chemically reducing the PtCl62– ions with NaBH4. The results indicate that PtNPs with uniform size and shape were created on the side wall of CNTs with high dispersion, and the loading of PtNPs on CNTs was improved with the increase of protein concentration used for the preparation of CNT–HGB nanofibers. A nonenzymatic amperometric sensor for highly sensitive.