Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular hydrophobicity at a macroscopically hydrophilic surface

Significance Silica, the most abundant mineral on Earth, is exploited in many technologies and naturally occurring geological and atmospheric processes. The physical and chemical interactions between silica and water are the fundamental driving forces for water purification systems, oil extraction, and coatings. Characterizing the silica/water interface is therefore important to improve existing technologies, in particular for silica coatings, which rely on wettability and thermal-resistant properties to remain effective. We investigated the silica/water interface using a mixture of macroscopic and microscopic techniques, including experimental and theoretical surface-specific sum frequency generation spectroscopy and contact angle measurements. Strikingly, we observed the presence of water molecules non–hydrogen bonded to the nominally hydrophilic silica surface. Interfaces between water and silicates are ubiquitous and relevant for, among others, geochemistry, atmospheric chemistry, and chromatography. The molecular-level details of water organization at silica surfaces are important for a fundamental understanding of this interface. While silica is hydrophilic, weakly hydrogen-bonded OH groups have been identified at the surface of silica, characterized by a high O-H stretch vibrational frequency. Here, through a combination of experimental and theoretical surface-selective vibrational spectroscopy, we demonstrate that these OH groups originate from very weakly hydrogen-bonded water molecules at the nominally hydrophilic silica interface. The properties of these OH groups are very similar to those typically observed at hydrophobic surfaces. Molecular dynamics simulations illustrate that these weakly hydrogen-bonded water OH groups are pointing with their hydrogen atom toward local hydrophobic sites consisting of oxygen bridges of the silica. An increased density of these molecular hydrophobic sites, evident from an increase in weakly hydrogen-bonded water OH groups, correlates with an increased macroscopic contact angle.
Subgroup analysis and interpretation for phase 3 confirmatory trials: White paper of the EFSPI/PSI working group on subgroup analysis

Subgroup by treatment interaction assessments are routinely performed when analysing clinical trials and are particularly important for phase 3 trials where the results may affect regulatory labelling. Interpretation of such interactions is particularly difficult, as on one hand the subgroup finding can be due to chance, but equally such analyses are known to have a low chance of detecting differential treatment effects across subgroup levels, so may overlook important differences in therapeutic efficacy. EMA have therefore issued draft guidance on the use of subgroup analyses in this setting. Although this guidance provided clear proposals on the importance of pre‐specification of likely subgroup effects and how to use this when interpreting trial results, it is less clear which analysis methods would be reasonable, and how to interpret apparent subgroup effects in terms of whether further evaluation or action is necessary.
Nasopharyngeal colonisation with Streptococcus pneumoniae in malnourished children: a systematic review and meta-analysis of prevalence

BACKGROUND Streptococcus pneumoniae is an intermittent commensal organism in the nasopharynx. Colonisation is a prerequisite for disease and malnourished children are especially susceptible to severe infection. This systematic review examines published prevalence rates of pneumococcal colonisation in the upper respiratory tract of chronically malnourished children <5 y of age. METHODS A systematic literature search was performed using MEDLINE, PubMed, Web of Science and Scopus. After screening, relevant studies were assessed for quality using Strengthening the Reporting of Observational Studies in Epidemiology criteria. Colonisation data were extracted and a random effects model was used to pool prevalence estimates. RESULTS Nine studies were included. The prevalence rate of S. pneumoniae colonisation in malnourished children during the first month of life ranged from 1.0 to 2.0%, increasing at 2 mo to 53.9-80.0%. Carriage remained similar from 3 to 60 mo at 64.1-88.0%. Meta-analysis showed a pooled prevalence of 67.2% in infants 0-3 mo of age (95% confidence interval [CI] 55.6 to 78.7), 77.9% in infants 3-6 mo of age (95% CI 68.1 to 87.7) and 77.8% in infants 6-60 mo of age (95% CI 73.9-81.6%). CONCLUSIONS In malnourished children, it is plausible that rates of pneumococcal colonisation are higher than in healthy, well-nourished children. Knowledge of colonisation rates can inform policies on vaccination and ancillary interventions during treatment of malnutrition. Future studies should assess the impact of reducing colonisation on disease rates or transmission in these 'at-risk' individuals.
Effects of cycle and treadmill desks on energy expenditure and cardiometabolic parameters in sedentary workers: review and meta-analysis

Purpose. The aim of this article was to evaluate the effects of cycle and treadmill desks on energy expenditure and cardiovascular and biochemical indicators in sedentary workers. Materials and methods. In February 2018, six databases were searched. Both parallel and crossover design studies evaluating workplace cycle and treadmill desks compared to a conventional seated condition were included. Results. Twenty-two studies met the inclusion criteria. Cycle and treadmill desks significantly increased energy expenditure (standard mean difference [SMD] = 3.84, p < 0.001, I 2 = 95%) and the heart rate (SMD = 1.68, p < 0.001, I 2 = 91%), and lowered blood glucose and insulin levels (SMD = –0.54, p < 0.001, I 2 = 0% and SMD = –3.13, p < 0.001, I 2 = 76%, respectively). The interventions had no effect on blood pressure and other biochemical indicators. Conclusion. Cycle and treadmill desks may positively influence energy expenditure in sedentary workers and could be effective for reducing negative effects of workplace-related sedentary behaviour. However, considerable heterogeneity is present in the measuring protocols for energy expenditure.
Effect of Consultation on Adherence to Clinical Breast Examination and Mammography in Iranian Women: A Randomized Control Trial

Background: Early diagnosis of breast cancer is directly related to success in treatment. The aim of this study was to determine the effect of consultation based on the health belief model on performance of clinical breast examination (CBE) and mammography in women. Methods: This research was a clinical trial study. Eligible women aged> 40 years attending to Hamadan health care centers in 2016 were randomly assigned to experimental and control groups (n = 75 in each group). The experimental group received 4 weekly sessions of breast cancer screening consulting based on Health Belief Model (HBM). Knowledge on breast cancer, HBM constructs, and practices were compared between two groups before, one and three months after intervention. Results: Before the intervention, no significant differences were observed in knowledge, HBM constructs and practice between experimental and control groups. While one and three months post intervention significant differences were detected between two groups on HBM constructs (except susceptibility and severity) and knowledge (p <0.05). Conclusions: The results showed the consultation promoted breast cancer screening in women.
Physical Activity and Cardiovascular Risk among Kidney Transplant Patients

Purpose Research examining the relationship between physical activity (PA) and cardiovascular disease (CVD) risk factors among kidney transplant recipients (KTR) is limited. Accordingly, we sought to 1) describe the levels of PA in KTR and 2) analyze the associations between PA levels and CVD risk factors in KTR. Methods Baseline data from KTR participants in a large multiethnic, multicenter trial (the Folic Acid for Vascular Outcome Reduction in Transplantation) were examined. PA was categorized in tertiles (low, moderate, and high) derived from a modified PA summary score from the Yale Physical Activity Survey. CVD risk factors were examined across levels of PA by ANOVA, Kruskal–Wallis rank test, and hierarchical multiple regression. Results The 4034 participants were 37% female (mean ± SD = 51.9 ± 9.4 yr of age, 75% White, 97% with stage 2T–4T chronic kidney disease, and 20% with prevalent CVD. Participants in the “high” PA tertile reported more vigorous PA and walking, compared with participants in moderate and low tertiles (both P < 0.001). No differences were observed in daily household, occupational, or sedentary activities across PA tertiles. More participants in the “low” PA tertile were overweight/obese, had a history of prevalent diabetes, and/or had CVD compared with more active participants (all P < 0.001). Hierarchical modeling revealed that younger age (P = 0.002), cadaveric donor source (P = 0.006), shorter transplant vintage (P = 0.025), lower pulse pressure (P < 0.001), and no history of diabetes (P < 0.001) were associated with higher PA scores. Conclusion The most active KTR engaged in more intentional exercise. Lower levels of PA were positively associated with more CVD risk factors. Higher PA levels were associated with younger age and with more positive KTR outcomes.
Computational Identification of Human Biological Processes and Protein Sequence Motifs Putatively Targeted by SARS-CoV-2 Proteins Using Protein–Protein Interaction Networks

While the COVID-19 pandemic is causing important loss of life, knowledge of the effects of the causative SARS-CoV-2 virus on human cells is currently limited. Investigating protein-protein interactions (PPIs) between viral and host proteins can provide a better understanding of the mechanisms exploited by the virus and enable the identification of potential drug targets. We therefore performed an in-depth computational analysis of the interactome of SARS-CoV-2 and human proteins in infected HEK293 cells published by Gordon et al. to reveal processes that are potentially affected by the virus and putative protein binding sites. Specifically, we performed a set of network-based functional and sequence motif enrichment analyses on SARS-CoV-2-interacting human proteins and on a PPI network generated by supplementing viral-host PPIs with known interactions. Using a novel implementation of our GoNet algorithm, we identified 329 Gene Ontology terms for which the SARS-CoV-2-interacting human proteins are significantly clustered in the network. Furthermore, we present a novel protein sequence motif discovery approach, LESMoN-Pro, that identified 9 amino acid motifs for which the associated proteins are clustered in the network. Together, these results provide insights into the processes and sequence motifs that are putatively implicated in SARS-CoV-2 infection and could lead to potential therapeutic targets.
Detection and Differentiation of Two Koala Gammaherpesviruses by Use of High-Resolution Melt (HRM) Analysis Reveals Differences in Viral Prevalence and Clinical Associations in a Large Study of Free-Ranging Koalas

The iconic koala (Phascolarctos cinereus) is host to two divergent gammaherpesviruses, phascolarctid gammaherpesviruses 1 and 2 (PhaHV-1 and -2), but the clinical significance of the individual viruses is unknown and current diagnostic methods are unsuitable for differentiating between the viruses in large-scale studies. To address this, we modified a pan-herpesvirus nested PCR to incorporate high-resolution melt analysis. ABSTRACT The iconic koala (Phascolarctos cinereus) is host to two divergent gammaherpesviruses, phascolarctid gammaherpesviruses 1 and 2 (PhaHV-1 and -2), but the clinical significance of the individual viruses is unknown and current diagnostic methods are unsuitable for differentiating between the viruses in large-scale studies. To address this, we modified a pan-herpesvirus nested PCR to incorporate high-resolution melt analysis. We applied this assay in a molecular epidemiological study of 810 koalas from disparate populations across Victoria, Australia, including isolated island populations. Animal and clinical data recorded at sampling were analyzed and compared to infection status. Between populations, the prevalence of PhaHV-1 and -2 varied significantly, ranging from 1% to 55%. Adult and older animals were 5 to 13 times more likely to be positive for PhaHV-1 than juveniles (P < 0.001), whereas PhaHV-2 detection did not change with age, suggesting differences in how these two viruses are acquired over the life of the animal. PhaHV-1 detection was uniquely associated with the detection of koala retrovirus, particularly in females (P = 0.008). Both viruses were significantly associated (P < 0.05) with the presence of genital tract abnormalities (uterine/ovarian cysts and testicular malformation), reduced fertility in females, urinary incontinence, and detection of Chlamydia pecorum, although the strength of these associations varied by sex and virus. Understanding the clinical significance of these viruses and how they interact with other pathogens will inform future management of threatened koala populations.
Quantitative tests reveal that microtubules tune the healthy heart but underlie arrhythmias in pathology

Our group previously discovered and characterized the microtubule mechanotransduction pathway linking diastolic stretch to NADPH oxidase 2‐derived reactive oxygen species signals that regulate calcium sparks and calcium influx pathways. Here we used focused experimental tests to constrain and expand our existing computational models of calcium signalling in heart. Mechanistic and quantitative modelling revealed new insights in disease including: changes in microtubule network density and properties, elevated NOX2 expression, altered calcium release dynamics, how NADPH oxidase 2 is activated by and responds to stretch, and finally the degree to which normalizing mechano‐activated reactive oxygen species signals can prevent calcium‐dependent arrhythmias.
Closed-loop cavitation control for focused ultrasound-mediated blood–brain barrier opening by long-circulating microbubbles

Focused ultrasound (FUS) exposure in the presence of microbubbles (MBs) has been successfully used in the delivery of various sizes of therapeutic molecules across the blood–brain barrier (BBB). While acoustic pressure is correlated with the BBB opening size, real-time control of BBB opening to avoid vascular and neural damage is still a challenge. This arises mainly from the variability of FUS-MB interactions due to the variations of animal-specific metabolic environment and specific experimental setup. In this study, we demonstrate a closed-loop cavitation control framework to induce BBB opening for delivering large therapeutic molecules without causing macro tissue damages. To this end, we performed in mice long-term (5 min) cavitation monitoring facilitated by using long-circulating MBs. Monitoring the long-term temporal kinetics of the MBs under varying level of FUS pressure allowed to identify in situ, animal specific activity regimes forming pressure-dependent activity bands. This enables to determine the boundaries of each activity band (i.e. steady oscillation, transition, inertial cavitation) independent from the physical and physiological dynamics of the experiment. However, such a calibration approach is time consuming and to speed up characterization of the in situ, animal specific FUS-MB dynamics, we tested a novel method called ‘pre-calibration’ that closely reproduces the results of long-term monitoring but with a much shorter duration. Once the activity bands are determined from the pre-calibration method, an operation band can be selected around the desired cavitation dose. To drive cavitation in the selected operation band, we developed an adaptive, closed-loop controller that updates the acoustic pressure between each sonication based on measured cavitation dose. Finally, we quantitatively assessed the safety of different activity bands and validated the proposed methods and controller framework. The proposed framework serves to optimize the FUS pressure instantly to maintain the targeted cavitation level while improving safety control.
An Inductively-Powered Wireless Neural Recording and Stimulation System for Freely-Behaving Animals

An inductively-powered wireless integrated neural recording and stimulation (WINeRS-8) system-on-a-chip (SoC) that is compatible with the EnerCage-HC2 for wireless/battery-less operation has been presented for neuroscience experiments on freely behaving animals. WINeRS-8 includes a 32-ch recording analog front end, a 4-ch current-controlled stimulator, and a 434 MHz on–off keying data link to an external software- defined radio wideband receiver (Rx). The headstage also has a bluetooth low energy link for controlling the SoC. WINeRS-8/EnerCage-HC2 systems form a bidirectional wireless and battery-less neural interface within a standard homecage, which can support longitudinal experiments in an enriched environment. Both systems were verified in vivo on rat animal model, and the recorded signals were compared with hardwired and battery-powered recording results. Realtime stimulation and recording verified the system's potential for bidirectional neural interfacing within the homecage, while continuously delivering 35 mW to the hybrid WINeRS-8 headstage over an unlimited period.
Distributed Secure State Estimation and Control for CPSs Under Sensor Attacks

In this paper, we investigate the distributed secure state estimation and control problems for interconnected cyber-physical systems (CPSs) with some sensors being attacked. First, by exploring the distinct properties of the unidentifiable attacks to a CPS, an explicit sufficient condition that the secure state estimation problem can be solvable is established. Then distributed preselectors and observers are presented to solve the secure state estimation problems. Furthermore, with the obtained state estimation, fractional dynamic surface-based distributed secure controllers are also proposed for the secure control problem. Theoretical analysis shows that, with the proposed distributed secure observers and controllers, not only the state of the CPS under attacks can be obtained in a given finite time but also the dynamic surface can be achieved and maintained in a finite time. Finally, the results are applied to an islanded micro-grid system as an illustration, which verifies the effectiveness of the proposed schemes.
Relative Differences in Concentration Levels during Sawing and Drilling of Car Bumpers Containing MWCNT and Organic Pigment

INTRODUCTION Knowledge on the exposure characteristics, including release of nanomaterials, is especially needed in the later stages of nano-enabled products' life cycles to perform better occupational risk assessments. The objective of this study was to assess the concentrations during sawing and drilling in car bumpers containing multi-walled carbon nanotubes (MWCNTs) and nanosized organic pigment (OP) under variable realistic workplace situations related to the ventilation in the room and machine settings. METHODS Twelve different experiments were performed in triplicate (N = 36) using tools powered by induction engines that allow interference-free particle measurements. A DiSCmini was used to measure particle number concentrations, whereas particle size distributions were measured using Aerodynamic Particle Sizer (TSI), Scanning Mobility Particle Sizer (TSI), and Electrical Low Pressure Impactor (Dekati). In addition, inhalable particles were sampled using IOM samplers on filters for scanning electron microscope/energy-dispersive X-ray spectrometry (SEM/EDX) analyses. Data were analysed to estimate the effects of individual exposure determinants, in a two-stage modelling strategy using Autoregressive Integrated Moving Average models (stage 1) and subsequently combining first stage results in simulations using multiple linear regression models (stage 2). RESULTS In sawing experiments, partly melted carbon-rich particles (mainly ~2 to ~8 µm) were identified with SEM/EDX, whereas drilling experiments revealed no activity-related particles. In addition, no pristine engineered nanoparticles (MWCNTs and OP) were observed to be liberated from the matrix. Statistical analyses showed significant effects of a higher sawing speed, a reduction in air concentration due to mechanical ventilation, and less exposure during sawing of car bumpers containing MWCNTs compared to bumpers containing OP. CONCLUSION The experiments in this study give an indication of the effects of different abrasive activities (sawing, drilling), machine settings (sawing speed, drill size), mechanical ventilation, and material characteristics on the manufactured nano-objects, their agglomerates, and aggregates concentration levels.
New insight into the role of extracellular vesicles in kidney disease

Extracellular vesicles (EVs) are released to maintain cellular homeostasis as well as to mediate cell communication by spreading protective or injury signals to neighbour or remote cells. In kidney, increasing evidence support that EVs are signalling vesicles for different segments of tubules, intra‐glomerular, glomerular‐tubule and tubule‐interstitial communication. EVs released by kidney resident and infiltrating cells can be isolated from urine and were found to be promising biomarkers for kidney disease, reflecting deterioration of renal function and histological change. We have here summarized the recent progress about the functional role of EVs in kidney disease as well as challenges and future directions involved.
Functional connectivity predictors of acute depression treatment outcome

ABSTRACT Few studies have examined functional connectivity (FC) patterns using functional magnetic resonance imaging (fMRI) to predict outcomes in late-life depression. We hypothesized that FC within and between frontal and limbic regions would be associated with 12-week depression outcome in older depressed adults. Seventy-one subjects with major depression were enrolled in the study. A study geriatric psychiatrist performed a clinical interview and completed a Montgomery-Åsberg Depression Rating Scale (MADRS). All study participants were free of medication at baseline and had a brain fMRI scan. Using a regions of interest (ROI) atlas (including 164 ROIs), we conducted ROI-to-ROI resting-state FC analyses for each participant. In terms of treatment participants were offered sertraline initially, although in this naturalistic study, other medications were also prescribed. Subjects were evaluated every 2 weeks up to 12 weeks by the study psychiatrist, who followed a flexible, clinically based medication dosing schedule. Multivariate regression analysis was used to examine correlation between change of MADRS score over 12 weeks and baseline FC between brain regions, controlling for age, gender, mean head motion, and baseline MADRS. We found greater FC between the left inferior frontal gyrus pars triangularis and the left frontal eye field and FC of these two regions with a number of brain regions related to reward, salience, and sensorimortor function were correlated with change in MADRS score over 12 weeks. Our results highlight the important role of between inner speech-reward, attention-salience, and attention-sensorimotor network synchronization in predicting acute treatment response in late-life depression.