Miracle-dz/UniFAR-FTUs huggingface dataset:
In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics

Abstract Fentanyl is a potent opioid analgesic, which for decades has been used routinely in surgical and therapeutic applications. In addition to its analgesic properties, fentanyl also possesses anesthetic properties, which are not well understood. Fentanyl is used in the general anesthesia process to induce and maintain anesthesia in combination with the general anesthetic propofol, which fentanyl is known to potentiate. As the atomic-level mechanism behind the potentiation of propofol is unclear, we have used classical molecular dynamics simulations to study the interactions of these drugs with the Gloeobacter violaceus ion channel (GLIC). This ion channel has been identified as a target for many anesthetic drugs. We identified multiple binding sites using flooding style and Gaussian accelerated molecular dynamics (GaMD) simulations, showing fentanyl acting as a stabiliser that holds propofol within binding sites. Our extensive GaMD simulations were also able to show the pathway by which propofol blocks the channel pore, which has previously been suggested as a mechanism for ion channel modulation. General anesthesia is a multi-drug process and this study provides the first insight into the interactions between two different drugs in the anesthesia process in a relevant biological environment. Communicated by Ramaswamy H. Sarma
Lipids as a proxy for larval starvation and feeding condition in small pelagic fish: a field approach on match-mismatch effects on Baltic sprat

Sprat Sprattus sprattus larvae were used as model organisms to evaluate whether larval lipids reflect in situ feeding conditions and can thus identify match-mismatch situations. In detail, we determined larval lipid content, growth rates based on RNA:DNA ratios, and fatty acid (FA) composition during the spawning season in the Central Baltic Sea, and evaluated these in light of feeding, mortality and recruitment (which were determined in parallel within the project ‘GLOBEC Germany’). Based on the opposing trend of RNA:DNA and lipid content, as well as on previous observations, we hypothesized that lipid content and current feeding conditions are largely uncoupled in the early life stages of sprat due to reduced lipid anabolism. However, lipids still provide information in several ways: (1) segmented generalised linear models proved to be a suitable tool for identifying phases of lipid catabolism during development, with the slope reflecting size-specific environmental starvation pressure. This method detected a previously identified mismatch situation with suitable prey in the early spawning season, which increased mortality of larger larvae. (2) Estimated starvation resistance, a proxy that accounts for temperature- and size-dependent metabolism, reflected the likelihood of near future starvation of individual larvae. (3) Principal component analyses on FAs identified monthly differences in diet composition. Biomarkers indicated a dinoflagellate and/or microbial loop based carbon flux to the larvae. (4) Regression analyses revealed lower docosahexaenoic acid (DHA) levels in spring, but no obvious effect on growth. Food quality was generally high, and its impact on larval survival was less evident than that of prey size suitability.
Effect of Flavonoid-Coated Gold Nanoparticles on Bacterial Colonization in Mice Organs

Multidrug resistance (MDR) has been a potentiator for the exploration of antibiotics. Nano drug delivery systems have opened new avenues to overcome this challenge. Although antibacterial nanocarriers are extensively realized, their effect on the bacteria residing inside the tissues and their toxicity is rarely explored. This study investigated the effects of flavonoid coated gold nanoparticles (FAuNPs) on the colonization of Enterococcus faecalis in the mouse liver and kidneys. Flavonoids were extracted from the leaves of Berberis lycium Royle and used to stabilize gold following a green synthesis approach. FAuNPs were characterized by ultraviolet-visible (UV-Vis) spectroscopy, Fourier-transform infrared spectroscopy (FTIR), scanning transmission electron microscopy (STEM), X-ray powder diffraction (XRD), and energy-dispersive X-ray spectroscopy (EDS). FAuNPs showed significantly higher reduction in bacterial counts in in-vitro and in-vivo in mice organs as compared to the free flavonoids owing to their biocompatibility and effectiveness.
Overlap in distribution and diets of Atlantic mackerel (Scomber scombrus), Norwegian spring-spawning herring (Clupea harengus) and blue whiting (Micromesistius poutassou) in the Norwegian Sea during late summer

Abstract Based on two large-scale surveys in the Norwegian Sea in July 2004 and 2006 we investigated the potential overlap in distribution and diets and association with environmental variables for mackerel, herring and blue whiting. Mackerel and blue whiting had low overlap in both distribution and diets, and were associated with warm Atlantic and cold prey-rich Arctic waters, respectively. Also, herring and mackerel were negatively correlated, associated with different environmental variables and even had low diet overlap in Atlantic water where the highest overlap in distribution was observed, but these trends were much clearer in 2006 than in 2004. Prey was patchily distributed and data from single stations indicated that feeding was opportunistic, in particular for mackerel. However, mackerel diet width and feeding incidence were similar between the years, whereas herring was more selective in 2004, probably reaching the end of the feeding season. A delayed peak in Calanus availability was indicated in 2006 and may have prolonged the feeding season, partly explain the difference between the years. Our data did not indicate a prey shift due to encounters between mackerel and herring. Concentrated efforts in limited areas are needed to further elucidate this aspect of interaction.
An Overview of Bioinformatics Tools for DNA Meta-Barcoding Analysis of Microbial Communities of Bioaerosols: Digest for Microbiologists

High-throughput DNA sequencing (HTS) has changed our understanding of the microbial composition present in a wide range of environments. Applying HTS methods to air samples from different environments allows the identification and quantification (relative abundance) of the microorganisms present and gives a better understanding of human exposure to indoor and outdoor bioaerosols. To make full use of the avalanche of information made available by these sequences, repeated measurements must be taken, community composition described, error estimates made, correlations of microbiota with covariates (variables) must be examined, and increasingly sophisticated statistical tests must be conducted, all by using bioinformatics tools. Knowing which analysis to conduct and which tools to apply remains confusing for bioaerosol scientists, as a litany of tools and data resources are now available for characterizing microbial communities. The goal of this review paper is to offer a guided tour through the bioinformatics tools that are useful in studying the microbial ecology of bioaerosols. This work explains microbial ecology features like alpha and beta diversity, multivariate analyses, differential abundances, taxonomic analyses, visualization tools and statistical tests using bioinformatics tools for bioaerosol scientists new to the field. It illustrates and promotes the use of selected bioinformatic tools in the study of bioaerosols and serves as a good source for learning the “dos and don’ts” involved in conducting a precise microbial ecology study.
The first characterization of airborne cyanobacteria and microalgae in the Adriatic Sea region

The presence of airborne cyanobacteria and microalgae as well as their negative impacts on human health have been documented by many researchers worldwide. However, studies on cyanobacteria and microalgae are few compared with those on bacteria and viruses. Research is especially lacking on the presence and taxonomic composition of cyanobacteria and microalgae near economically important water bodies with much tourism, such as the Adriatic Sea region. Here, we present the first characterization of the airborne cyanobacteria and microalgae in this area. Sampling conducted between 11th and 15th June 2017 revealed a total of 15 taxa of airborne cyanobacteria and microalgae. Inhalation of many of the detected taxa, including Synechocystis sp. , Synechococcus sp. , Bracteacoccus sp. , Chlorella sp. , Chlorococcum sp. , Stichococcus sp. , and Amphora sp. , poses potential threats to human health. Aside from two green algae, all identified organisms were capable of producing harmful metabolites, including toxins. Moreover, we documented the presence of the cyanobacterium Snowella sp. and the green alga Tetrastrum sp. , taxa that had not been previously documented in the atmosphere by other researchers. Our study shows that the Adriatic Sea region seems to be a productive location for future research on airborne cyanobacteria and microalgae in the context of their impacts on human health, especially during the peak of tourism activity.
OTOLITH CHEMISTRY TO DESCRIBE MOVEMENTS AND LIFE-HISTORY PARAMETERS OF FISHES : HYPOTHESES, ASSUMPTIONS, LIMITATIONS AND INFERENCES

in ever-increasing numbers, researchers wish to extract information based on chemi - cal analyses from otoliths to determine movements and life-history patterns of fish. such analyses make assumptions about chemical incorporation and interpretation that are beyond those that are important for stock discrimination studies, another common application. The authors aim to clarify the methods of determining fish movement based on natural and artificial otolith chemical tags and review current trends in determining movement using otolith chemistry, otolith sampling methods, and what influences otolith chemistry. both spatial and temporal variability in water and otolith chemistries, which underpin the assumptions of several methods, are discussed. Five methods for determining movement and migration of fish are outlined: (1) estimates of movement and life-history traits of a single fish group, (2) assessing connectivity among groups using natural chemical tags in otoliths, (3) transgenerational marks to determine parentage and natal origins, (4) profile analysis to define life-history variation within a population and (5) profile analysis to describe movements through different environments. Within each of these methods, background information, specific hypotheses being tested and assumptions and limitations of each technique are provided. Finally,
Effect of Post-Mortem Electrical Stimulation on Color, Texture, pH, and Cooking Losses of Hot and Cold Deboned Chicken Broiler Breast Meat

Abstract Chicken broilers were electrically stunned prior to bleeding and slaughter in the processing plant at the Spelderholt Center. A nonstimulated (NS) control was used. Post-mortem intermittent electrical stimulation (ES) for 60 s was applied using 100 V immediately after bleeding. Birds were deboned from one breast half at various times (0 to 240 min) after evisceration. The remaining half was left attached to the carcass. Breast muscle pH was significantly lowered by ES compared with pH of control birds. There was an electrical stimulation × time interaction when measuring Warner Bratzler maximum shear, slope, and work values. Electrical stimulation at 0 or 15 min actually toughened the breast muscle, but ES significantly tenderized breast muscle deboned at 120 and 240 min, compared with the control. Breast muscles from ES carcasses were significantly darker in color, with lower lightness (L*) values when hot deboned at 60 min or earlier. Post-mortem ES significantly increased redness (a*) values at all deboning times except 30 min. Cooking losses and expressible moisture were significantly increased by ES. Hot deboning significantly decreased sarcomere length, but ES had no significant effect on sarcomere length.
Tree Canopy Cover Is Best Associated with Perceptions of Greenspace: A Short Communication

A growing literature has supported a relationship between greenspace and health. Various greenspace metrics exist; some are based on subjective measures while others are based on an objective assessment of the landscape. While subjective measures may better reflect individual feelings about surrounding greenspace and the resulting positive benefits thereof, they are expensive and difficult to collect. In contrast, objective measures can be derived with relative ease, in a timely fashion, and for large regions and populations. While there have been some attempts to compare objective and subjective measures of greenspace, what is lacking is a comprehensive assessment of a wide range of greenspace metrics against subjective measures of greenspace. We performed such an assessment using a set of three objective greenspace metrics and a survey of residents in Liverpool, New South Wales, Australia. Our study supported existing findings in that overall, there is very little agreement between perceived and objective greenspace metrics. We also found that tree canopy in 10 min walking buffers around residences was the objective greenspace measure in best agreement with perceived greenspace.
Disappearing expertise in clinical automation: Barcode medication administration and nurse autonomy

OBJECTIVE Using the case of barcode medication administration (BCMA), our objective is to describe the challenges nurses face when informatics tools are not designed to accommodate the full complexity of their work. MATERIALS AND METHODS Autonomy is associated with nurse satisfaction and quality of care. BCMA organizes patient information and verifies medication administration. However, it presents challenges to nurse autonomy. Qualitative fieldwork, including observations of everyday work and interviews, was conducted during the implementation of BCMA in a large academic medical center. Fieldnotes and interview transcripts were coded and analyzed to describe nurses' perspectives on medication safety. RESULTS Nurses adopt orienting frames to structure work routines and require autonomy to ensure safe task completion. Nurses exerted agency by trusting their own judgment over system information when the system did not consider workload complexity. Our results indicate that the system's rigidity clashed with adaptive needs embodied by nurses' orienting frames. DISCUSSION Despite the fact that the concept of nurse as knowledge worker is foundational to informatics, nurses may be perceived as doers, rather than knowledge workers. In practice, nurses not only make decisions, but also engage in highly complex task-related work that is not well supported by process-oriented information technology tools. CONCLUSIONS Information technology developers and healthcare organization managers should engage and better understand nursing work in order to develop technological and social systems to support it.
Implementing post diagnostic dementia care in primary care: a mixed-methods systematic review

Abstract Objectives Concentrating post-diagnostic dementia care in primary care may lead to better and more cost-effective care closer to home. We aimed to assess which intervention components and contextual factors may contribute to the successful delivery and implementation of primary care-led post-diagnostic dementia care. Methods Mixed-methods systematic review. We searched five databases (inception-March 2019) with reference list screening and citation tracking. We included studies evaluating post-diagnostic dementia care interventions where primary care had a significant role in dementia care, which assessed one or more implementation elements (acceptability, feasibility, adoption, sustainability, reach, costs, appropriateness or fidelity). Two authors independently critically appraised studies. Results Out of 4528 unique references, we screened 380 full texts and included 49 evaluations of services collecting implementation process data. Most services had high acceptability ratings. The most acceptable components were information provision, social and emotional support and links to community organisations. Feasibility was chiefly influenced by provider engagement and leadership, building dementia care capacity, sufficient resources/funding and collaboration. Care quality was maximised through adding capacity from a dementia-specific health professional. On the basis of limited data, costs for various primary care-led models did not substantially differ from each other. Conclusion A range of primary care-led dementia care models appear feasible and acceptable. Future services should: add dementia-focussed health professionals into primary care, develop primary care leadership and provide sufficient funding and collaboration opportunities. Information, community service links and social and ongoing support should be part of services. Further exploration of service reach and formalised fidelity assessment are needed.
Ghrelin antagonist overrides the mRNA expression of NPY in hypothalamus in feed restricted ewes

A negative energy balance (NEB) is detrimental to reproduction in animals. A suggested link between NEB and reproductive failure is the gastrointestinal hormone ghrelin, because of the association between ghrelin and the hypothalamo-pituitary-gonadal axis. The [D-Lys3]-Growth Hormone Releasing Peptide-6 ([D-Lys3]-GHRP-6) is a ghrelin antagonist that acts on ghrelin receptors (GHS-R1). The objective of this study was to evaluate the effect of [D-Lys3]-GHRP-6 on reproduction variables in feed restricted ewes. Two experiments were conducted. Experiment I was conducted for 30 days; and Experiment II for 13 days. In both experiments the ewes (n = 18) were randomly assigned to: Control (CO): fed to meet maintenance requirements; Feed restriction (FR): 80% of maintenance restriction; or Ghrelin antagonist (GA): feed restricted and daily subcutaneous of 7. 5μg/kg of [D-Lys3]-GHRP-6. Plasma was collected to measure hormones and metabolite concentration. In Experiment II, the hypothalamus and ovaries were collected on day 13. In both Experiments, sheep allocated to the FR and GA treatments decreased their body weight compared with sheep in the CO group (P < 0.06); progesterone however, did not differ between treatments (P > 0.10). Experiment I: Plasma ghrelin concentration was greater (P < 0.01) in FR and GA compared with CO ewes. Plasma non-esterified fatty acids concentration was greater (P < 0.01) in GA and FR than CO. Experiment II: Kisspeptin1-Receptor (Kiss1-R) mRNA expression was greater in FR (P < 0.01) and tended to be greater in GA (P = 0.10) compared with CO ewes. The neuro peptide-Y (NPY) mRNA expression was greater (P = 0.03) in FR than CO; and tended to be greater (P = 0.06) compared with GA ewes. Growth hormone releasing hormone (GhRH) mRNA expression was greater in GA (P = 0.04) and tended to be greater in FR (P = 0.07) compared with CO ewes. Feed restriction increased GhRH, NPY, and Kiss-R mRNA expression in hypothalamus without affecting reproductive variables.Ghrelin antagonist may prevent an increase inNPY expression in ewes.
The Effect of Participation Motivations on Interpersonal Relationships and Learning Achievement of Female College Students in Sports Club: Moderating Role of Club Involvement

The aim of this study is to explore the moderating effect of club involvement on the relationships of female college students’ sport club participation motivations for interpersonal relationships and learning achievement. Using cluster sampling, a structured questionnaire was distributed to 450 female college students located in northern, central, and southern Taiwan with a valid return rate of 96.2%. Using partial least squares structural equation modeling (PLS-SEM) analysis, the study found that the female college students’ participation motivations both affected interpersonal relationships and learning achievement positively. In addition, the moderating effects of club involvement on interpersonal relationships and learning achievement were both significant. Club involvement enhanced the effects of the female college students’ sport club participation motivations for interpersonal relationships and learning achievement. According to the results and discussion, practical application and future research suggestions were provided.
The cost-effectiveness of hypertension management in low-income and middle-income countries: a review

Hypertension in low-income and middle-income countries (LMICs) is largely undiagnosed and uncontrolled, representing an untapped opportunity for public health improvement. Implementation of hypertension control strategies in low-resource settings depends in large part on cost considerations. However, evidence on the cost-effectiveness of hypertension interventions in LMICs is varied across geographical, clinical and evaluation contexts. We conducted a comprehensive search for published economic evaluations of hypertension treatment programmes in LMICs. The search identified 71 articles assessing a wide range of hypertension intervention designs and cost components, of which 42 studies across 15 countries reported estimates of cost-effectiveness. Although comparability of results was limited due to heterogeneity in the interventions assessed, populations studied, costs and study quality score, most interventions that reported cost per averted disability-adjusted life-year (DALY) were cost-effective, with costs per averted DALY not exceeding national income thresholds. Programme elements that may reduce cost-effectiveness included screening for hypertension at younger ages, addressing prehypertension, or treating patients at lower cardiovascular disease risk. Cost-effectiveness analysis could provide the evidence base to guide the initiation and development of hypertension programmes.
Detection and differentiation of non-emetic and emetic Bacillus cereus strains in food by real-time PCR

Duplex real-time polymerase chain reaction (PCR) method was developed for direct detection and identification of non-emetic and emetic Bacillus cereus strains in foods without enrichment. Primers and TaqMan probes were designed for molecular chaperonin gene groEL and cereulide synthetase gene ces. A total of 62 B. cereus strains, of which 59 were non-emetic and 3 emetic, were found positive by groEL-specific conventional PCR. Three emetic strains were found by ces-specific PCR to be positive, whereas 59 non-emetic strains were negative. Ten strains other than B. cereus were all negative by both groEL-specific and ces-specific PCR assays. The limits of detection of the duplex PCR assays for both non-emetic and emetic strains from their pure cultures were 3× 10° CFU/reaction. A total of 10 doenjang (traditional Korean fermented soybean paste) samples were analyzed simultaneously by real-time PCR assay and analytical profile index (API) test kits. All tested samples were positive for B. cereus contamination except two samples. The result of the real-time PCR assay was consistent with that of the API test. Among the eight positive samples, six and two samples were contaminated with non-emetic and emetic strains, respectively. The results suggest that the real-time PCR method developed in the present study may be useful for the direct detection and differentiation of B. cereus strains in foods.