Miracle-dz/UniFAR-FTUs huggingface dataset:
Structural insights into peptide self‐assembly using photo‐induced crosslinking experiments and discontinuous molecular dynamics

Abstract Determining the structure of the (oligomeric) intermediates that form during the self‐assembly of amyloidogenic peptides is challenging because of their heterogeneous and dynamic nature. Thus, there is need for methodology to analyze the underlying molecular structure of these transient species. In this work, a combination of fluorescence quenching, photo‐induced crosslinking (PIC) and molecular dynamics simulation was used to study the assembly of a synthetic amyloid‐forming peptide, Aβ16‐22. A PIC amino acid containing a trifluormethyldiazirine (TFMD) group—Fmoc(TFMD)Phe—was incorporated into the sequence (Aβ*16–22). Electrospray ionization ion‐mobility spectrometry mass‐spectrometry (ESI‐IMS‐MS) analysis of the PIC products confirmed that Aβ*16–22 forms assemblies with the monomers arranged as anti‐parallel, in‐register β‐strands at all time points during the aggregation assay. The assembly process was also monitored separately using fluorescence quenching to profile the fibril assembly reaction. The molecular picture resulting from discontinuous molecule dynamics simulations showed that Aβ16‐22 assembles through a single‐step nucleation into a β‐sheet fibril in agreement with these experimental observations. This study provides detailed structural insights into the Aβ16‐22 self‐assembly processes, paving the way to explore the self‐assembly mechanism of larger, more complex peptides, including those whose aggregation is responsible for human disease.
Experimental Investigation on Glaze Ice Accretion and Its Influence on Aerodynamic Characteristics of Pipeline Suspension Bridges

Pipeline suspension bridges may experience ice accretion under special atmospheric conditions, and the aerodynamic characteristics of the bridges may be modified by the ice accretion. Under some specific climatic conditions of freezing rain, the dependencies of the ice size and shape on the icing duration and some structural properties (including pipeline diameter, inclination angle of wind hanger, inclination angle and size of section steel, and girder geometry) were experimentally investigated in a refrigerated precipitation icing laboratory. Typical ice accretions on pipelines, wind hangers, section steels, and girders of pipeline suspension bridges are summarized. Then the effects of some selected ice accretions on aerodynamic force coefficients of a bridge girder were further investigated through wind tunnel tests. The ice size and shape on the pipeline were closely related to the pipeline diameter and icing duration. The engineering geometric models of ice accretion on pipelines were extracted. The ice shape and size on wind hangers and section steels changed with their inclination angles. The aerodynamic force coefficients of a girder with ice accretion were much higher than those of an ice-free one. The results can provide references for simulating the ice accretion and further evaluating the effect of ice accretion on the aerodynamics of pipeline suspension bridges.
Potential impacts of changing climate on nature-based tourism: A case study of South Africa’s national parks

Climate change has the potential to have significant impacts on the global tourism industry through changes in accessibility and comfort levels, as well as geographic or seasonal changes to attractions (Rosselló-Nadal 2014; Scott, Gössling & Hall 2012). Global and regional studies based on climate indices and data suggest that there will be global shifts in tourism, with an improvement in conditions in many temperate areas and a deterioration in conditions in many subtropical and tropical areas (Bigano, Hamilton & Tol 2007; Rosselló & Santana 2012; Tol & Walsh 2012). Indications are that tourism may decline in much of the Global South. This is of particular concern, not only because tourism is a significant source of foreign exchange earnings in developing countries (Scott et al. 2012), but also because of the global importance of biodiversity conservation in these countries and the direct and indirect reliance of conservation on nature-based tourism. However, comparatively little empirical work has been done on nature-based or protected area tourism, particularly in developing countries.
Photoperiod-Dependent Expression of MicroRNA in Drosophila

Like many other insects in temperate regions, Drosophila melanogaster exploits the photoperiod shortening that occurs during the autumn as an important cue to trigger a seasonal response. Flies survives the winter by entering a state of reproductive arrest (diapause), which drives relocation of resources from reproduction to survival. Here, we profiled the expression of microRNA (miRNA) in long and short photoperiods and identified seven differentially expressed miRNAs (dme-mir-2b, dme-mir-11, dme-mir-34, dme-mir-274, dme-mir-184, dme-mir-184* and dme-mir-285). Misexpression of dme-mir-2b, dme-mir-184 and dme-mir-274 in pigment-dispersing factor-expressing neurons largely disrupted the normal photoperiodic response, suggesting that these miRNAs play functional roles in photoperiodic timing. We also analyzed the targets of photoperiodic miRNA by both computational predication and by Argonaute-1- mediated immunoprecipitation of long- and short-day RNA samples. Together with global transcriptome profiling, our results expand existing data on other Drosophila species, identifying genes and pathways that are differentially regulated in different photoperiods and reproductive status. Our data suggest that post-transcriptional regulation by miRNA is an important facet of photoperiodic timing.
Ionization potential depression and ionization balance in dense carbon plasma under solar and stellar interior conditions

Recent quantitative experiments on the ionization potential depression (IPD) in dense plasma show that the observational results are difficult to explain with the widely used analytical models for plasma screening. Here, we investigate the effect of plasma screening on the IPD and ionization balance of dense carbon plasma under solar and stellar interior conditions using our developed consistent nonanalytical model. The screening potential can be primarily attributed to the free electrons in the plasma and is determined by the microspace distribution of these free electrons. The ionization balance is determined by solving the Saha equation, including the effect of IPD. The predicted IPD and average ionization degree are larger than those obtained using the Stewart–Pyatt model for mass densities that are greater than 3.0 g cm−3. Under solar interior conditions, our results are in better agreement with the Ecker–Kröll model at electron temperatures and densities lower than 250 eV and 2.1 × 1023 cm−3 and in the best agreement with the ion-sphere model at 303 eV and 4.3 × 1023 cm−3. Finally, our results are compared with those obtained via a recent experiment on a CH-mixture plasma that has been compressed six times. The predicted average ionization degree of C in a CH mixture agrees better with the experiment than the Stewart–Pyatt and Thomas–Fermi models when the screening from free electrons contributed by hydrogen atoms is included. Our results provide useful information concerning the ionization balance and can be applied to investigate the opacity and equations of state for dense plasma under the solar and stellar interior conditions.
Addressing Service Recovery Practice With Radiation Oncology Frontline Managers: A Project Brief

The relationship between patient satisfaction, care compliance, and treatment outcomes suggests patients who report dissatisfaction perceive receipt of suboptimal care. Patient satisfaction plays a role in defining quality of care, affecting institutional reimbursement and reputation capital. Using an explanatory sequential mixed methodology approach, this study explored frontline management’s role in effective service recovery, actively addressing instances of patient dissatisfaction to improve the overall patient experience. A survey of frontline managers, document and artifact reviews, and probing interviews identify the importance of consistent performance measurement, feedback, and frequent leadership training on the relevance and importance of service recovery.
Entomochemicals from Pterophylla beltrani Bolivar and Bolivar1: Antioxidants and Other Metabolites

Abstract. Insects are sources of diverse natural metabolites or entomochemicals with different properties. Extraction of entomochemicals depends on the polarity of solvent and affinity of metabolites, important for yield of bioactive entomochemicals. Antioxidants and entomochemicals of Pterophylla beltrani Bolivar and Bolivar (Orthoptera: Tettigoniidae) have been studied. In this work, several solvents were used and compared in relation to their capacity to extract entomochemicals from P. beltrani flour. Differences in yield of phenolics and antioxidant capacity between solvents were observed using methods based on Folin-Ciocalteu reagent, DPPH, and ABTS, respectively. Water was the best solvent to extract phenolics and antioxidant compounds from P. beltrani; while propanol was in general the solvent that resulted in least entomochemicals. Water extraction yielded 187 GAE mg/g flour for total phenolic compounds, 121.75 mM TE/g flour with the DPPH assay, and 362.6 mM TE/g flour with the ABTS assay, while propanol extraction yielded 0.74 GAE mg, 47.25 mM TE, and 55.45 mM TE per gram of flour for total phenolic compounds and antioxidants with DPPH and ABTS assays, respectively. Methanol and ethanol extractions yielded intermediate values. Alkaloids and sterols were detected using colorimetric assays of some extracts. Twenty compounds of alkaloids, phenolic compounds, amino acid derivatives, tryptamine derivatives, pyrazine derivatives, organic acids, fatty amides, and terpenes were identified using mass spectrometry; 20 unknown compounds also were detected. This makes P. beltrani a potential source of diverse entomochemicals. Further chemical characterization is needed to understand the entomochemicals and their roles in physiology and ecological interactions of P. beltrani.
A trial of transmitter attachment methods for Shark Bay bandicoots (Perameles bougainville)

In mammal reintroductions, effective post-release monitoring often relies on the use of radio-transmitters. Collars are a popular attachment technique but are not necessarily appropriate for all taxa. However, other attachment methods may result in substantially reduced monitoring durations. We assessed several transmitter types for the Shark Bay bandicoot (Perameles bougainville), aiming to optimise animal welfare and attachment duration. Collars (fitted under general anaesthetic) were considered the optimal method and 12 bandicoots were collared and monitored as part of a reintroduction program. We found that our collars permitted monitoring for up to seven weeks, while causing minimal harm to the animals.
Electric-Field-Assisted Modulation of Surface Thermochemistry

Conventional catalyst design has enhanced reactivity and product selectivity through control of surface thermochemistry by tunable surface composition and the surrounding environment (e.g., pore structure). In this work, the prospect for electric field towards controlling product selectivity and reaction networks on the Pt(111) surface was evaluated with periodic density functional theory (DFT) calculations in concert with machine learning (ML) algorithms. Linear scaling relationships (LSRs) for adsorption energies of surface species in electric field were shown to: (i) be distinct as compared to zero-field LSRs across metals, and (ii) linearly correlate with adsorption energies of H* rather than the binding element. The slope of LSRs linearly correlated with the zero-field dipole moment. A random forest ML regression algorithm predicted field-dependent adsorption energies with a mean absolute error (0.12 eV) comparable to DFT. Overall, this study identifies the path forward for electric field-assisted catalysis, specifically towards catalyst poisoning, product selectivity, and control of reaction pathways.
Comparison of autocorrelation between CV-RISK independent variables in groups with and without history of cardiovascular diseases

Background: Cardiovascular relative risk (CVRISK) is the latest cardiovascular relative risk score to evaluate the magnitude of cardiovascular risk in healthy people regardless of age and cardiovascular risk severity. The aim of the study is to determine the correlation between each independent variables of CVRISK score in individuals with and without history of cardiovascular diseases (CVD). Methods: The study design is cross-sectional study. We conducted it online through social media using Google forms from June to August 2020. Participants include all productive age groups from 16 to 60 years. The data were processed using excel and statistically tested. Descriptive data analysis uses tabulated data which is displayed in numbers or proportions (categorical) and single data distribution (numeric). Statistical association analysis uses the categorical-correlation test with 2 statistical tests that use eta on nominal-ordinal variables and contingency coefficients on nominal-nominal variables. Results: There is a strong autocorrelation between hypertension and high tryglyceride levels (p value 0.001; correlation 0.549; risks 30.14%), nutritional status and low-density lipoprotein cholesterol (LDL-C) levels in CVD group (p value 0.002; correlation 0.774; risks 59.90%) and non-CVD group (p value 0.000; correlation 0.757; risks 57.3%). Hypertension and risky LDL-C levels firmly proves a very strong correlations and significant relationship in CVD groups (p value 0.014; correlation 0.947; risks 89.68%). Conclusions: There is a correlation that varies from weak to very strong among the independent variables in the CVRISK scoring of the participants. Further research is needed to determine the potentiality of CVRISK as an early prevention in determining the cardiovascular risk of individuals with and without history of CVD.
Avatar Design of Virtual Salespeople: Mitigation of Recommendation Conflicts

The role of virtual salesperson (VS) and the importance of customer reviews in facilitating online purchase decisions and sales have recently received much attention from technology companies, marketing practice professionals, and academics. However, customers’ willingness to follow the purchase advice of the VS when there is a conflict between these recommendations and those of other online customers is less understood. This research theorizes and investigates the extent to which customers’ relationship satisfaction with, and trust in, the VS helps explain customer willingness to follow VS advice in the context of recommendation conflict. Using four studies, our research explores how and when the VS’s avatar design mitigates the negative influence of conflict. An important theoretical and managerial implication of this research is that VS avatar designs that are high in automated social presence (ASP) help reduce the negative impact of conflict. However, we find that ASP mitigates the negative effects of conflict only for avatars that score low (vs. high) on cuteness.
Environmental Salinity Affects Growth and Metabolism in Fingerling Meagre (Argyrosomus Regius)

The meagre (Argyrosomus regius), a farmed fish in Mediterranean countries, seasonally migrates from offshore areas to estuaries for reproduction. During the first two years of life, the meagre evidences a certain grade of euryhalinity by staying in brackish waters close to the shore. The aim of the present study was to establish if fingerling growth in brackish water is improved compared to seawater, where current culture procedures are conducted. Three-month-old fingerlings were maintained for 45 days under two different salinity regimens (12 and 39 ppt). Several growth parameters as well as osmoregulatory and metabolic variables were assessed. Specific growth rate and hepatosomatic index values revealed that fingerlings performed better in brackish waters (12 ppt) compared to 39 ppt. This study contributes to optimizing meagre rearing conditions, thereby supporting the role of A. regius in aquaculture diversification.
Adaptation and validation of the measure of organizational citizenship behavior in collaborative learning

Organizational citizenship behavior refers to “individual behavior that is discretionary, not directly or explicitly recognized by the formal reward system, and that in the aggregate promotes the effective functioning of the organization (Organ, 1988, p. 4)”. Previous research suggests organizational citizenship behavior can be a beneficial concept in a collaborative learning setting because it may affect learning outcomes, student satisfaction, and social loafing in organizations and teams. However, a measure of organizational citizenship behavior in the collaborative learning setting does not exist. This research aimed to adapt and validate the measurement of organizational citizenship behavior in a collaborative learning setting. 511 college students in Korea participated in this study. First, we conducted exploratory analysis, and as a result, four dimensions were extracted: altruism, conscientiousness, sportsmanship, and courtesy. Subsequently, we conducted confirmatory factor analysis to examine the stability of multidimensionality, and the result indicated the four-factor structure has a reasonable fit statistically. In addition, we examined convergent, discriminant and criterion validities. With this validated measurement, future studies can examine how organizational citizenship behavior in the collaborative learning is related to other learning constructs such as student engagement and academic achievement. https://doi.org/10.34105/j.kmel. 2020.12. 015
Case report of severe PCR-confirmed COVID-19 myocarditis in a European patient manifesting in mid January 2020

Abstract Background Viral genesis is the most common cause of myocarditis. COVID-19-associated myocarditis seems to be a notable extrapulmonary manifestation, which may result in the need for a different treatment. There has been no positive polymerase chain reaction (PCR) testing of SARS-CoV-2 in heart specimens, thus far. Case summary A 48-year-old male patient presented with fever, dyspnoea, and haemoptysis. Laboratory findings showed highly elevated inflammatory and cardiac damage markers. Thoracic computed tomography (CT) revealed bilateral, patchy peripheral ground-glass opacities with a crazy-paving pattern, focal consolidations, and mild pleural effusions. Cardiac imaging with echocardiography and magnetic resonance imaging (MRI) detected a reduced biventricular function. MRI additionally showed myocardial oedema and late gadolinium enhancement. Lung and heart biopsies were performed, revealing alveolitis with necrosis and acute lymphocytic myocarditis. Testing for usual cardiotropic viruses was negative, and no aspects of vasculitis or granuloma could be found. Due to fulfilling the criteria, the patient was diagnosed with rheumatic vasculitis. Treatment with cyclophosphamide and steroids was initiated. Later, the patient reported a history of travel to Tyrol in mid January. Consequently, PCR testing for SARS-CoV-2 was performed, which was positive in the heart specimen. Immunosuppressive treatment was discontinued. During a follow-up visit at the end of April, the patient’s recovery was stable. Discussion In COVID-19 infections, myocardial inflammation can be present as an extrapulmonary manifestation. Positive PCR testing confirms myocardial invasion of the virus. Imaging and laboratory studies correlate with the histopathological findings, and thus should be performed in COVID-19 patients who are suspicious for myocarditis. Supportive treatment with steroids may be useful in these patients.
Targeted Therapy in Metastatic Bladder Cancer: Present Status and Future Directions

The recommended treatment for metastatic urothelial carcinoma (mUC) patients is platinum-based chemotherapy. Although initial response rates are moderate, the vast majority of patients experience a relapse due to chemoresistance and eventually succumb to their disease. Furthermore, platinum-based chemotherapy is toxic and approximately 30% of mUC patients are unfit for chemotherapy. Thus, there is a clear unmet need for novel, more efficacious treatment options in mUC with a safer toxicity profile. To propel the advancement of novel treatment options, we present a summary of key signaling pathways and molecular mechanisms that are known to be involved in bladder cancer tumorigenesis with a focus on promising candidate druggable molecular targets and innovative targeted therapies currently under clinical investigation. Targetable alterations were mainly described in fibroblast growth factor receptor (FGFR) and epidermal growth factor receptor (ErbB) tyrosine kinase receptor (RTK) families, downstream pathways, and chromatin remodelers, which are major bladder cancer driver genes. Drugs targeting the FGFR family members are emerging as personalized treatment options for selected mUC patients with tumor-specific FGFR alterations. The pan-FGFR inhibitor, erdafitinib, was first-in-class to receive U.S. Food and Drug Administration (FDA) approval in 2019, while inhibitors of ErbB family members have shown less potential. Antibody-drug conjugates (ADCs) are a class of targeted therapeutics that deliver cytotoxic drugs in close proximity to cancer cells by targeting RTKs or other transmembrane proteins. Enfortumab vedotin is the first-in-class ADC that was FDA approved for the treatment of locally advanced or mUC in 2019.
Impact of training on the implementation of a new electronic system and acceptance of new technologies in a federal institution of higher education

Purpose – The adoption of new technologies is a challenge for organizations, which leads them to invest in training when implementing a new system. The aim of this study was to evaluate the effect of the impact of training on the acceptance of a new system, as well as the relationship between the impact of training and the acceptance of new technology with the frequency of use of the system by the user in a federal institution of higher education. Design/methodology/approach – An online questionnaire was answered by participants from an institution two months after the training of a new system. A total of 288 responses were obtained (56.3 % were women, and 44.1 % were from 29 to 39 years). The scales for self-assessment of impact of training at work, for support to transfer, and for accepting new technologies were applied, in addition to sociodemographic data and frequency of use of the system. Correlations, linear regression, and ANOVA with a post hoc test were conducted to test the relationship between variables. Findings – The results indicated that the greater the perception of impact of training, higher the acceptance of the new system. In addition, those who demonstrated greater acceptance of technology, used the system more frequently. Research limitations/implications – This study has implications for the management of training related to new technologies. Originality/value – It also contributes to the field by bringing the concept of impact of training jointly with the acceptance of new technologies, which traditionally has investigated only reactions to training, and not the transfer of skills.