Miracle-dz/UniFAR-FTUs huggingface dataset:
Validity and Reliability of Physiological Data in Applied Settings Measured by Wearable Technology: A Rapid Systematic Review

The purpose of this review was to evaluate the current state of the literature and to identify the types of study designs, wearable devices, statistical tests, and exercise modes used in validation and reliability studies conducted in applied settings/outdoor environments. This was performed according to the Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) guidelines. We identified nine articles that fit our inclusion criteria, eight of which tested for validity and one tested for reliability. The studies tested 28 different devices with exercise modalities of running, walking, cycling, and hiking. While there were no universally common analytical techniques used to measure accuracy or validity, correlative measures were used in 88% of studies, mean absolute percentage error (MAPE) in 75%, and Bland–Altman plots in 63%. Intra-class correlation was used to determine reliability. There were not any universally common thresholds to determine validity, however, of the studies that used MAPE and correlation, there were only five devices that had a MAPE of < 10% and a correlation value of > 0.7. Overall, the current review establishes the need for greater testing in applied settings when validating wearables. Researchers should seek to incorporate multiple intensities, populations, and modalities into their study designs while utilizing appropriate analytical techniques to measure and determine validity and reliability.
Hydrothermal biomass gasification - : Effects of salts, backmixing, and their interaction

Gasification in supercritical water at pressures up to 30 MPa and temperatures around 600 °C is a very attractive method to use biomass with a high water content for energy production. Under these conditions hydrogen and carbon dioxide are formed as the main products. The reaction is significantly influenced by biomass ingredients. The effect of alkali salts is of special interest: the addition of alkali salts drastically increases the hydrogen yield, presumably as a consequence of the catalysis of the water-gas shift reaction. Furthermore, it is observed that in the presence of alkali salts backmixing has a positive effect on the gas yield. A possible explanation is that "active hydrogen" formed by the water-gas shift reaction inhibits the formation of low reactive species like coke and tarry compounds. The water-gas shift reaction is a late consecutive reaction, and this effect is evident if prior reaction steps can be influenced by backmixing.
A New Pathological Classification of Intrahepatic Cholangiocarcinoma from an Embryological Viewpoint

Background: No universal classification method for intrahepatic cholangiocarcinoma (IHCC) has been reported based on the embryological origin of biliary epithelial cells. The aim of this study was to classify IHCC according to protein expression levels of somatostatin receptor 2 (SSTR2) and b-cell leukemia/lymphoma 2 (Bcl2) and to elucidate the clinicopathological features of each group.Methods: Fifty-two IHCC patients who underwent hepatic resection were enrolled in this study. Protein expression levels of SSTR2 and Bcl2 were examined using immunohistochemistry. Clinicopathological factors were compared between the three groups and prognostic factors were investigated. Results: The patients were divided into three groups: SSTR2 positive and Bcl2 negative (Group H, n=21), SSTR2 negative and Bcl2 positive (Group P, n=14), and the indeterminate group (Group U, n=17) for cases where SSTR2 and Bcl2 were both positive or both negative. All Group P cases displayed curability A or B. The 5-year survival rates of Group H and U patients were worse than those in Group P. Group H had higher T-factor, clinical stage, and incidence of periductal infiltration than Group P.Conclusions:This method could be used to classify IHCC into peripheral and perihilar type by embryological expression patterns of SSTR2 and Bcl2.
Lessons Learned on Green Stimulus: Case Studies from the Global Financial Crisis

Today’s policymakers designing economic stimulus packages to respond to the COVID-19 pandemic can draw lessons from the most recent point of comparison, the global financial crisis. This paper gives a global overview of the green stimulus announced in 2008 and 2009 and then provides case studies of four of the economies that spent the most on green measures: the United States, South Korea, China, and the European Union. For each case study the paper evaluates how much was spent on green vs. polluting measures, how successfully the stimulus was implemented, the impact on the economy and particularly on jobs, and the impact on greenhouse gas emissions and other environment outcomes. The paper then briefly examines the differences between the global financial crisis and the COVID-19 crisis and presents recommendations for policymakers. Countries around the world have a chance to build back better than before by designing COVID-19 stimulus packages that quickly create jobs and build up new industries while also providing climate co-benefits.
Density functional theory study of the dipole across the P3HT : PCBM complex: the role of polarization and charge transfer

Using density functional theory (DFT) calculations we study the electronic structure and the dipole moment of the complex formed by an oligomer of poly(3-hexylthiopene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). We scanned the total energy of the P3HT : PCBM dimer as a function of the relative angular orientation between the two molecules in the search for stable angular configurations. After finding four stable geometries, we applied DFT calculations to characterize the electronic properties of those configurations. Using extended charge decomposition analysis, we calculated the contributions of the occupied and unoccupied orbitals from the individual species to form the electronic states of the complex. This method allowed us to determine the charge effectively transferred from the polymer to the PCBM upon the formation of the complex. Our results indicate that this amount of transferred charge is small but extremely sensitive to the detailed arrangement of the molecules in the dimer. However, the direction of the dipole moment of the complex is strongly influenced by the orientation of the permanent dipole of the PCBM relative to the chain of the oligomer. In the light of the dipole-assisted exciton dissociation models, we identified only one configuration that has a dipole moment with the right orientation to help the dissociation of a photo-excited electron–hole pair in the polymer. This configuration is just the molecular arrangement with the lowest total energy. Moreover, we study the contributions of charge transfer and electronic polarization to the composition of this dipole as a function of the intermolecular separation. We finally discuss how the results found using our simple dimer model can be related to electronic properties obtained using more-realistic models of the P3HT/PCBM interface.
Measurement of water vapor transmission rate in highly permeable films

Measurements of water vapor transmission rate (WVTR) are often based on the wet cup method described by ASTM E 96-95. In attempting to compare the performance of thin polymer films with moderate to high water vapor permeability, it was observed experimentally that the ASTM method did not give reliable results for highly permeable films. In particular, the WVTR depended on film thickness and the ratio of film area to water surface area. It was determined that the high water vapor flux through the more permeable films caused a reduction in the driving force for water vapor transmission, that is, the relative humidity at the inner surface of the film. Consequently, the WVTR was underestimated. Comparisons based on a small area ratio and a constant small-flux condition were considered as alternative approaches for evaluating performance using the wet cup method. The constant flux approach produced the best correlation with WVTR that was measured with a commercial instrument. © 2001 John Wiley & Sons, Inc. J Appl Polym Sci 81: 1624–1633, 2001
Outlook for Exploiting Artificial Intelligence in the Earth and Environmental Sciences

Promising new opportunities to apply artificial intelligence (AI) to the Earth and environmental sciences are identified, informed by an overview of current efforts in the community. Community input was collected at the first National Oceanic and Atmospheric Administration (NOAA) workshop on “Leveraging AI in the Exploitation of Satellite Earth Observations and Numerical Weather Prediction” held in April 2019. This workshop brought together over 400 scientists, program managers, and leaders from the public, academic, and private sectors in order to enable experts involved in the development and adaptation of AI tools and applications to meet and exchange experiences with NOAA experts. Paths are described to actualize the potential of AI to better exploit the massive volumes of environmental data from satellite and in situ sources that are critical for numerical weather prediction (NWP) and other Earth and environmental science applications. The main lessons communicated from community input via active workshop discussions and polling are reported. Finally, recommendations are presented for both scientists and decision-makers to address some of the challenges facing the adoption of AI across all Earth science.
Densities and Viscosities of Ionic Liquid with Organic Solvents

The ionic liquid (IL) of 1-hexyl-3-methylimidazolium acetate is widely used in chemical and bio-chemical processes. In this work, due to the high viscosity of IL, the promising chemicals (i.e., N, N-dimethylacetamide, N, N-dimethylformamide, and dimethyl sulfoxide) were selected as the additives to lower IL viscosity. The thermophysical properties of density and viscosity for IL with solvents were measured using a digital vibrating U-tube densimeter and an Ubbelohde capillary viscometer from 303.15 to 338.15 K at atmospheric pressure (0.0967 MPa), respectively. The influences of the solvents on the thermophysical properties of ionic liquid were quantitatively studied. Furthermore, based on the measurement values, the derived properties of excess molar volumes, thermal expansion coefficient, and the energy barrier were calculated, and the results showed that the mixture composition had great impact on excess volume change and viscosity. The hard-sphere model was employed to reproduce the viscosity. The infrared spectroscopy was performed to study the chemical structure to further understand the interactions between IL and the solvents.
Candida Colonization among Neonates with Low Birth Weight: There Is Much More to Explore

Background and Objectives: Candida colonization in neonates with low birth weight is reported to be the first step for invasive candidiasis. This study was designed to describe the patterns of Candida spp. colonizing neonates with low birth weight in Mwanza, Tanzania to provide baseline information for future studies in this field. Methodology: The hospital based cross sectional study was conducted between January 2019 and April 2019 among neonates with low birth weight. Clinical and social demographic data were collected using interview guide questionnaire. Oral and umbilical rectal swabs were collected on the first and seventh day of life to assess Candida spp. colonization status. Data were analyzed using STATA version 13 following the study objectives. Results: A total of 320 neonates with median body weight of 1600 [IQR 1000 - 2000] grams were enrolled. Prevalence of Candida spp. colonization on either oral, umbilical or rectum was 16.2% (52/320). A total of 34 (10.6%) and 41 (12.8%) neonates were colonized by Candida spp. on the first day and seventh day of life, respectively. Of 34 neonates colonized on the first day of life, 23 (67.7%) were still being colonized on the seventh day. Candida albicans 38 (73.1%), was the predominant species detected followed by Candida glabrata 10 (19.2%). Conclusion: The prevalence of Candida spp. colonization among neonates with low birth weight is within the reported range and is mainly due to Candida albicans. Future studies are highly needed to explore the role of colonization and subsequent Candida spp. infections.
SIMS analysis of Si isotope for radiolarian test in Mesozoic bedded chert, Inuyama, central Japan

SIMS analysis of Si isotope for radiolarian test in Mesozoic bedded chert, Inuyama, central Japan M. BÔLE*1, M. IKEDA1, P.O. BAUMGARTNER2, R.S. HORI3, A.S. BOUVIER2 1 University of Tokyo, Tokyo 113-0033, Japan. (* correspondence: maximilien.bole@eps.s.u-tokyo.ac.jp, ikeda.masayuki@eps.s.u-tokyo.ac.jp) 2 University of Lausanne, Lausanne, Switzerland. (Peter.Baumgartner@unil.ch, AnneSophie.Bouvier@unil.ch) 3 Ehime University, Matsuyama, 790-8577, Japan. (hori.rie.mm@ehime-u.ac.jp)
Graphene Nanosheets Modified Glassy Carbon Electrode as a Highly Sensitive and Selective Voltammetric Sensor for Rutin

Graphene nanosheets modified glassy carbon electrode (GNs/GCE) was fabricated as voltammetric sensor for rutin with good sensitivity, selectivity and reproducibility. The sensor exhibits an adsorption-controlled, reversible two-proton and two electron transfer reaction for the oxidation of rutin with a peak-to-peak separation (Delta E(p)) of 26 mV as revealed by cyclic voltammetry. Moreover, the redox peak current increased about 14 times than that on bare glassy carbon electrode (GCE). The linear response of the sensor is from 1 x 10(-7) to 1 x 10(-5) M with a detection limit of 2.1 x 10(-8) M (S/N = 3). The method was successfully applied to determine rutin in tablets with satisfied recovery.
COVID-19 Associated Mortality and Cardiovascular Disease Outcomes Among U.S. Women Veterans

BackgroundThe burden of COVID-19 has been noted to be disproportionately greater in minority women, a population that is nevertheless still understudied in COVID-19 research. MethodsWe conducted a case-control cohort study to examine COVID-19-associated mortality and cardiovascular disease outcomes after testing (henceforth index) among a racially diverse adult women veteran population. We drew data from a Veterans Affairs (VA) national COVID-19 shared data repository, collected between February and August 2020. Kaplan-Meier curves and the Cox proportional hazards model were employed to examine the distribution of time to death and the effects of baseline predictors on mortality risk. Generalized linear models were used to examine 60-day cardiovascular disease outcomes. Covariates studied included age, body mass index (BMI), and active smoking status at index, and pre-existing conditions of diabetes, chronic kidney disease (CKD), chronic obstructive pulmonary disease (COPD), and a history of treatment with antiplatelet or anti-thrombotic drug at any time in the 2 years prior to the index date.ResultsWomen veterans who tested positive for SARS-CoV-2 had 4 times higher mortality risk than women veterans who tested negative (Hazard Ratio 3.8, 95% Confidence Interval CI 2.92 to 4.89) but had lower risk of cardiovascular events (Odds Ratio OR 0.78, 95% CI 0.66 to 0.92) and developing new heart disease conditions within 60 days (OR 0.67, 95% CI 0.58 to 0.77). Older age, obesity (BMI > 30), and prior CVD and COPD conditions were positively associated with increased mortality in 60 days. Despite a higher infection rate among minority women veterans, there was no significant race difference in mortality, cardiovascular events, or onset of heart disease. Conclusions and RelevanceSARS-CoV-2 infection increased short-term mortality risk among women veterans similarly across race groups. However, there was no evidence of increased cardiovascular disease incidence in 60 days. A longer follow-up of women veterans who tested positive is warranted.
Characterizing the long‐term dynamics of aerosol optical depth in the Yangtze River Middle‐Reach urban agglomeration, China

Along with the rapid urbanization and economic development, the Yangtze River Middle‐Reach urban agglomeration (YRMR) has suffered from increasingly serious environmental problems. Characterizing the long‐term dynamics of aerosol optical depth (AOD) in YRMR is of important significance for scientific control of aerosol pollutants over this region. Previously, numerous researches have analysed the temporal and spatial characteristics of AOD in different regions through statistical values of AOD time series or using trend analysis methods based on linear regression models. It is challenging to approximate nonlinear trends and identify change points of AOD time series. This paper proposed a new methodology for investigating the dynamics of AOD over the YRMR region on a monthly basis by using the Terra MODIS Collection 6.1 Level 2 aerosol products (MOD04_L2) during 2001–2017. A three‐dimensional spatio‐temporal interpolation method was used to generate gap‐filled monthly AOD maps, and then a generic Bayesian time series decomposition algorithm was applied to analyse the trends and change points of monthly AOD time series. The results showed that the areas with high AOD values were mainly located in the core cities and the connecting belts. Strong positive AOD anomalies had been observed during 2006–2011, whereas the positive anomalies were typically intermingled with negative anomalies and it indicated that the evolution patterns of AOD for different regions were different and influenced by fluctuations. Trend analysis of the monthly mean AOD values indicated that AOD in YRMR increased first, then fluctuated, and finally decreased. Although it was difficult to separate the increasing and fluctuating periods from each other due to the fluctuation, the decreasing trend after 2011 was significant, and a significant drop of AOD had been observed since 2014. Long‐term AOD variations were closely related to national policies, and the results could provide useful references for regional environmental assessment and decision‐making.
High Throughput Screening for the Design and Optimization of Chromatographic Processes: Automated Optimization of Chromatographic Phase Systems

Chromatographic processes can be optimized in various ways. However, the two most prominent approaches are either based on statistical data analysis or on experimentally validated simulation models. Both approaches heavily rely on experimental data, the generation of which usually imposes a significant bottleneck on rational process design. Hence, here a closed-loop optimization strategy is proposed in that an automated high throughput liquid handling platform is combined with a genetic algorithm. This setup enables process optimization on the mini-scale and thus saves time as well as material costs. The practicability and robustness of the proposed high throughput method is demonstrated with two exemplary optimization tasks: first, optimization of the buffer composition in the capture step for a binary protein mixture (lysozyme and cytochrome), and second, optimization of multilinear gradient elution for the separation of a ternary mixture (ribonuclease and cytochrome, and lysozyme).
Surface Energy and Wettability of Modified Cellulosic Fibres for Use in Composite Materials

The surface modification of cellulosic substrates in the form of powders and sheets was carried out using nonpolar oligomeric and polymeric reagents bearing isocyanate and anhydride reactive moieties. The characterization of these surfaces by inverse gas chromatography and by dynamic and equilibrium contact angle measurements, before and after the treatments, revealed that the lower the polarity of the coupling agent, the higher the loss of hydrophilic character of the substrate. In particular, the use of styrenic copolymers of rather high molecular weight gave rise to essentially dispersive-modified surfaces which should be highly suited for the preparation of composites based on nonpolar macromolecular matrices.
Novel, hand-held, agile surgical operating systems

Over the past decade, there has been a surge in the development of mechanical and robotized laparoscopic instruments to improve the surgeon’s dexterity, precision and ergonomics in a cost-effective manner, as an alternative to the expensive “master-slave” surgical robotic systems currently on the market. Due to the overhead costs, robotic minimally invasive procedures have nil advantage to patients or hospitals when compared to laparoscopic procedures when looking into the cost-effectiveness profile. In addition, to date robotic surgery has statistically not been proven to be superior to conventional laparoscopy for a majority of surgeries. Robotic surgery however continues to grow with increased demand from both patients and surgeons, despite high initial and recurrent costs. As competition expands those costs will inevitably decrease but investing in hand-held robotized laparoscopic devices enabling safe performance of advanced minimally invasive procedures at a much more sustainable cost can enable scaling this technology, especially as every laparoscopic surgeon can easily use those with rapid additional training only to achieve a specific surgical approach. Multiple reports including potential instruments providing those solutions required have been written, however, surprisingly not all of those featured instruments are available today. In this article we review the current status of smart tools for laparoscopic procedures, highlighting new market entries with a potential to change the landscape of minimally invasive surgery.
Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

A very efficient scheme is presented to simulate proton transport by classical molecular dynamics simulation coupled with quantum mechanically derived proton hopping. Simulated proton transfer rates and proton diffusion constants for an excess proton in a box of water molecules are in good agreement with experimental data and with previous simulations that employed empirical valence bond (EVB) theory. For the first time, the proton occupancy of an aspartic acid residue in water was computed directly by MD simulations. Locally enhanced sampling or multi copy techniques were used to facilitate proton release in simulations of an imidazole ring in a solvent box. Summarizing, a quasiclassical description of proton transfer dynamics has been able to capture important kinetic and thermodynamic features of these systems at less than 50% computational overhead compared to standard molecular dynamics simulations. The method can be easily generalized to simulate the protonation equilibria of a large number of titra.
Chemical nonequilibrium effects in hydrogen-air laminar jet diffusion flames

A theoretical medel for the structure of hydrogen-air laminar jet diffusion flames has been developed. The model includes the effects of nonequilibrium chemical kinetics and realistic transport properties. The reaction zone in such flames is found to resemble the recombination zone in premixed flames. Distributions of the free radicals H, O, and OH are substantially in excess of local equilibrium values. The computed results show that the partial equilibrium approximation, which is often employed in premixed flames, is valid within the reaction zone but breaks down outside it. Hydroperoxyl is found to be an important intermediate species in the flame, being formed primarily by the reversible recombination reaction H + 0/sub 2/ + M . -->. HO/sub 2/ + M and destroyed by H, O, and OH radical attack. The absence of chemical equilibrium and the broadening of the energy release zone result in peak temperatures which are well below the adiabatic flame temperature. Broadening of the energy release zone is due significantly to the mobility of hydrogen atoms.