bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Properties of TiWN/TiWC Multilayer Coatings Deposited by RF-Magnetron Sputtering on AISI 1060
Authors: González-Hernández Andrés , Morales-Cepeda Ana Beatriz , Flores Martín , Caicedo Julio C. , Aperador William , Amaya César
Published: July 2021

Nitride and carbide ternary coatings improve the wear and corrosion resistance of carbon steel substrates. In this work, Ti-W-N and Ti-W-C coatings were deposited on AISI 1060 steel substrates using reactive radio frequency (RF) magnetron sputtering. The coatings were designed as monolayers, bilayers, and multilayers of 40 periods. The coatings were obtained with simultaneous sputtering of Ti and W targets. The microstructure, composition, and electrochemical properties were investigated by techniques such as X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization. XRD results shower a mix of binary TiN and W2N structures in the Ti-W-N layer, a ternary phase in Ti-W-C layers, in addition of a quaternary phase of Ti-W-CN in the multilayers. The analysis of the XPS demonstrated that the atomic concentration of Ti was more significant than W in the Ti-W-N and Ti-W-C layers. The lowest corrosion rate (0.19 mm/year−1) and highest impedance (~10 kΩ·cm2) out of all coatings were found in n = 40 bilayers. In the simulation of equivalent electrical circuits, it was found that the Ti-W-N coating presented three processes of impedance (Pore resistance + Coating + Inductance). However, the multilayer (n = 40) system presented a major dielectric constant through the electrolyte adsorption; therefore, this caused an increase in the capacitance of the coating.
Seed-Mediated Preparation of Ag@Au Nanoparticles for Highly Sensitive Surface-Enhanced Raman Detection of Fentanyl
Authors: Qin Yazhou , Wang Binjie , Wu Yuanzhao , Wang Jiye , Zong Xingsen , Yao Weixuan
Published: July 2021

Bimetallic nanoparticles have received extensive attention due to their unique physical and chemical properties, including enhanced optical properties, chemical stability, and better catalytic activity. In this article, we have successfully achieved the controllable preparation of Ag@Au nanoparticles via a seed-mediated growth method. By regulating the amount of seeds—silver nanospheres—we realized that Ag@Au nanoparticles gradually changed from spherical to a sea-urchin-like structure. The structure and composition of the prepared nanoparticles were characterized via scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), and high-angle circular dark field scanning transmission electron microscopy (HAADF-STEM). In addition, we use the prepared Ag@Au nanoparticles as a substrate material for highly sensitive surface-enhanced Raman spectroscopy (SERS). Using 4-aminothiophenol (4-ATP) as the test molecule, we explored the SERS enhancement effects of Ag@Au nanoparticles with different structures. Furthermore, we used Ag@Au nanoparticles for SERS to detect the drug fentanyl, and realized the label-free detection of fentanyl, with the lowest detection concentration reaching 10−7 M. This research not only provides a method for preparing bimetallic Ag@Au nanoparticles with different structures, but also provides a reference for the application of Ag@Au nanoparticles in the field of detection technology.
Roadside Car Surveys: Methodological Constraints and Solutions for Estimating Parrot Abundances across the World
Authors: Tella José L. , Romero-Vidal Pedro , Dénes Francisco V. , Hiraldo Fernando , Toledo Bernardo , Rossetto Federica , Blanco Guillermo , Hernández-Brito Dailos , Pacífico Erica , Díaz-Luque José A. , Rojas Abraham , Bermúdez-Cavero Alan , Luna Álvaro , Barbosa Jomar M. , Carrete Martina
Published: July 2021

Parrots stand out among birds because of their poor conservation status and the lack of available information on their population sizes and trends. Estimating parrot abundance is complicated by the high mobility, gregariousness, patchy distributions, and rarity of many species. Roadside car surveys can be useful to cover large areas and increase the probability of detecting spatially aggregated species or those occurring at very low densities. However, such surveys may be biased due to their inability to handle differences in detectability among species and habitats. We conducted 98 roadside surveys, covering > 57,000 km across 20 countries and the main world biomes, recording ca. 120,000 parrots from 137 species. We found that larger and more gregarious species are more easily visually detected and at greater distances, with variations among biomes. However, raw estimates of relative parrot abundances (individuals/km) were strongly correlated (r = 0.86–0.93) with parrot densities (individuals/km2) estimated through distance sampling (DS) models, showing that variability in abundances among species (>40 orders of magnitude) overcomes any potential detectability bias. While both methods provide similar results, DS cannot be used to study parrot communities or monitor the population trends of all parrot species as it requires a minimum of encounters that are not reached for most species (64% in our case), mainly the rarest and more threatened. However, DS may be the most suitable choice for some species-specific studies of common species. We summarize the strengths and weaknesses of both methods to guide researchers in choosing the best–fitting option for their particular research hypotheses, characteristics of the species studied, and logistical constraints.
Multivariate Analysis of Cryptocurrencies
Authors: Candila Vincenzo
Published: July 2021

Recently, the world of cryptocurrencies has experienced an undoubted increase in interest. Since the first cryptocurrency appeared in 2009 in the aftermath of the Great Recession, the popularity of digital currencies has, year by year, risen continuously. As of February 2021, there are more than 8525 cryptocurrencies with a market value of approximately USD 1676 billion. These particular assets can be used to diversify the portfolio as well as for speculative actions. For this reason, investigating the daily volatility and co-volatility of cryptocurrencies is crucial for investors and portfolio managers. In this work, the interdependencies among a panel of the most traded digital currencies are explored and evaluated from statistical and economic points of view. Taking advantage of the monthly Google queries (which appear to be the factors driving the price dynamics) on cryptocurrencies, we adopted a mixed-frequency approach within the Dynamic Conditional Correlation (DCC) model. In particular, we introduced the Double Asymmetric GARCH–MIDAS model in the DCC framework.
Simulation of FDSOI-ISFET with Tunable Sensitivity by Temperature and Dual-Gate Structure
Authors: Wang Hanbin , Bi Jinshun , Liu Mengxin , Han Tingting
Published: July 2021

This work investigates the different sensitivities of an ion-sensitive field-effect transistor (ISFET) based on fully depleted silicon-on-insulator (FDSOI). Using computer-aided design (TCAD) tools, the sensitivity of a single-gate FDSOI based ISFET (FDSOI-ISFET) at different temperatures and the effects of the planar dual-gate structure on the sensitivity are determined. It is found that the sensitivity increases linearly with increasing temperature, reaching 890 mV/pH at 75 °C. By using a dual-gate structure and adjusting the control gate voltage, the sensitivity can be reduced from 750 mV/pH at 0 V control gate voltage to 540 mV/pH at 1 V control gate voltage. The above sensitivity changes are produced because the Nernst limit changes with temperature or the electric field generated by different control gate voltages causes changes in the carrier movement. It is proved that a single FDSOI-ISFET can have adjustable sensitivity by adjusting the operating temperature or the control gate voltage of the dual-gate device.
Light-Weight Self-Attention Augmented Generative Adversarial Networks for Speech Enhancement
Authors: Li Lujun , Lu Zhenxing , Watzel Tobias , Kürzinger Ludwig , Rigoll Gerhard
Published: July 2021

Generative adversarial networks (GANs) have shown their superiority for speech enhancement. Nevertheless, most previous attempts had convolutional layers as the backbone, which may obscure long-range dependencies across an input sequence due to the convolution operator’s local receptive field. One popular solution is substituting recurrent neural networks (RNNs) for convolutional neural networks, but RNNs are computationally inefficient, caused by the unparallelization of their temporal iterations. To circumvent this limitation, we propose an end-to-end system for speech enhancement by applying the self-attention mechanism to GANs. We aim to achieve a system that is flexible in modeling both long-range and local interactions and can be computationally efficient at the same time. Our work is implemented in three phases: firstly, we apply the stand-alone self-attention layer in speech enhancement GANs. Secondly, we employ locality modeling on the stand-alone self-attention layer. Lastly, we investigate the functionality of the self-attention augmented convolutional speech enhancement GANs. Systematic experiment results indicate that equipped with the stand-alone self-attention layer, the system outperforms baseline systems across classic evaluation criteria with up to 95% fewer parameters. Moreover, locality modeling can be a parameter-free approach for further performance improvement, and self-attention augmentation also overtakes all baseline systems with acceptably increased parameters.
CNN Algorithm for Roof Detection and Material Classification in Satellite Images
Authors: Kim Jonguk , Bae Hyansu , Kang Hyunwoo , Lee Suk Gyu
Published: July 2021

This paper suggests an algorithm for extracting the location of a building from satellite imagery and using that information to modify the roof content. The materials are determined by measuring the conditions where the building is located and detecting the position of a building in broad satellite images. Depending on the incomplete roof or material, there is a greater possibility of great damage caused by disaster situations or external shocks. To address these problems, we propose an algorithm to detect roofs and classify materials in satellite images. Satellite imaging locates areas where buildings are likely to exist based on roads. Using images of the detected buildings, we classify the material of the roof using a proposed convolutional neural network (CNN) model algorithm consisting of 43 layers. In this paper, we propose a CNN structure to detect areas with buildings in large images and classify roof materials in the detected areas.
Effects of Microwave Treatment in Immersed Conditions on the Mechanical Properties of Jute Yarn
Authors: Syrén Felicia , Peterson Joel , Kadi Nawar
Published: July 2021

The versatile bast fiber jute has environmental benefits compared to glass fibers. However, for jute to be used in a composite, the fiber properties need to be altered. This study aims to improve the mechanical properties of jute yarn to make it more suitable for technical applications as a composite. To alter its mechanical properties, jute yarn was immersed in water during microwave treatment. The time and power of the microwave settings differed between runs. Two states of the yarn were tested: fastened and un-fastened. Tensile testing was used at the yarn and fiber level, followed by Fourier-transform infrared spectroscopy (FTIR) and microscopy. The treatment result demonstrated the ability to increase the elongation of the jute yarn by 70%. The tenacity was also increased by 34% in the fastened state and 20% in the un-fastened state. FTIR showed that no change in the molecular structure occurred. The treatments resulted in a change of yarn thickness depending on the state of the yarn. The results indicate that microwave treatment can be used to make jute more suitable for technical applications depending on the microwave treatment parameters.
Optimising the Workability and Strength of Concrete Modified with Anacardium Occidentale Nutshell Ash
Authors: Oyebisi Solomon , Ede Anthony , Owamah Hilary , Igba Tobit , Mark Oluwaseun , Odetoyan Abimbola
Published: July 2021

Strength failure persists both in structural and mechanical analysis. One of its prominent characteristics is the adequate provision for parameters that minimise or maximise strength objectives while satisfying boundary conditions. The previous optimisation of concrete strength usually neglects mix design mechanisms induced by optimisation. Recent efforts to accurately optimise the concrete compressive strength have factored in some of these mechanisms. However, optimising concrete strength modified with high silica and alumina precursors, and crucial mix design factors are rare. Consequently, this paper optimised the concrete workability and strength, incorporating binding, water/binder ratio, binder/aggregate ratio, and curing mechanisms using the Box–Behnken design approach (BBDA). A waste material, anacardium occidentale (cashew) nutshell ash, was valorised and used at 5, 10, and 15 wt.% of cement. The composites were made, cured and tested at 14–90 d. The results revealed a high precision between the experimental slump and the optimisation slump at 97% R2. In addition, a 5% increase in compressive strength was obtained compared with the target compressive strength. Besides, the correlation between the model equation obtained from this study and predictions of previous studies via BBDA yielded a strong relationship.
Energy Recovery of Shrub Species as a Path to Reduce the Risk of Occurrence of Rural Fires: A Case Study in Serra da Estrela Natural Park (Portugal)
Authors: Nunes Leonel , Raposo Mauro , Meireles Catarina , Gomes Carlos , Ribeiro Nuno
Published: July 2021

The accumulation of biomass fuels resulting from the growth of heliophilous shrubs and small tree species at the edge of forests and on scrub and pasture lands contributes to the increased risk of rural fires in Mediterranean climate regions. This situation has been managed with a set of legislative measures launched with the objective of promoting cleaning and the control of these species. Areas of scrub and pasture already constitute the largest part of the annually burnt area in Portugal, resulting in high-intensity fires. In the present study, shrubs and small tree species were characterized in the laboratory. Thermogravimetric, chemical and calorimetric analyses for the evaluation of the potential for the energy recovery of the selected species were carried out. It was observed that energetic valorization (i.e., to enhance the value by planned actions) of these species is difficult because they present high levels of ash and metals, becoming prone to the occurrence of fouling and slagging phenomena. Thus, the creation of value chains that justify the incorporation of these materials becomes very difficult, except if used in non-certified, small-scale and locally based processes. The possibility of recovery through thermochemical conversion processes, such as torrefaction, pyrolysis or gasification, must be studied so that more efficient and feasible recovery alternatives can be found, allowing for the creation of value chains for these residual materials to promote their sustainable management and, thus, mitigate the risk of rural fires occurring.
A Comparative Study between Sand- and Gravel-Bed Open Channel Flows in the Wake Region of a Bed-Mounted Horizontal Cylinder
Authors: Devi Kalpana , Hanmaiahgari Prashanth Reddy , Balachandar Ram , Pu Jaan H.
Published: July 2021

In nature, environmental and geophysical flows frequently encounter submerged cylindrical bodies on a rough bed. The flows around the cylindrical bodies on the rough bed are very complicated as the flow field in these cases will be a function of bed roughness apart from the diameter of the cylinder and the flow velocity. In addition, the sand-bed roughness has different effects on the flow compared to the gravel-bed roughness due to differences in the roughness heights. Therefore, the main objective of this article is to compare the mean velocities and turbulent flow properties in the wake region of a horizontal bed-mounted cylinder over the sand-bed with that over the gravel-bed. Three experimental runs, two for the sand-bed and one for the gravel-bed with similar physical and hydraulic conditions, were recorded to fulfil this purpose. The Acoustic Doppler Velocimetry (ADV) probe was used for measuring the three-dimensional (3D) instantaneous velocity data. This comparative study shows that the magnitude of mean streamwise flow velocity, streamwise Reynolds normal stress, and Reynolds shear stress are reduced on the gravel-bed compared to the sand-bed. Conversely, the vertical velocities and vertical Reynolds normal stress are higher on the gravel-bed than the sand-bed.
Texturization of a Blend of Pea and Destarched Oat Protein Using High-Moisture Extrusion
Authors: Immonen Mika , Chandrakusuma Angga , Sibakov Juhani , Poikelispää Minna , Sontag-Strohm Tuula
Published: July 2021

Grain protein fractions have great potential as ingredients that contain high amounts of valuable nutritional components. The aim of this study was to study the rheological behavior of destarched oat and pea proteins and their blends in extrusion-like conditions with a closed cavity rheometer. Additionally, the possibility of producing fibrous structures with high-moisture extrusion from a blend of destarched oat and pea protein was investigated. In the temperature sweep measurement (60–160 °C) of the destarched oat protein concentrate and pea protein isolate blend, three denaturation and polymerization sections were observed. In addition, polymerization as a function of time was recorded in the time sweep measurements. The melting temperature of grain proteins was an important factor when producing texturized structures with a high-moisture extrusion. The formation of fibrillar structures was investigated with high-moisture extrusion from the destarched oat and pea protein blend at temperatures ranging from 140 to 170 °C. The protein–protein interactions were significantly influenced in the extruded samples. This was due to a decrease in the amount of extractable protein in selective buffers. In particular, there was a decrease in non-covalent and covalent bonds due to the formation of insoluble protein complexes.
Effects of Temperature, Relative Humidity, and Carbon Dioxide Concentration on Growth and Glucosinolate Content of Kale Grown in a Plant Factory
Authors: Chowdhury Milon , Kiraga Shafik , Islam Md Nafiul , Ali Mohammod , Reza Md Nasim , Lee Wang-Hee , Chung Sun-Ok
Published: July 2021

The growth of plants and their glucosinolate content largely depend on the cultivation environment; however, there are limited reports on the optimization of ambient environmental factors for kale grown in plant factories. This study was conducted to investigate the effects of temperature, relative humidity, and the carbon dioxide (CO2) concentration on kale growth and glucosinolate content in different growth stages of cultivation in a plant factory. Kale was grown under different temperatures (14, 17, 20, 23, and 26 °C), relative humidities (45, 55, 65, 75, and 85%), and CO2 concentrations (400, 700, 1000, 1300, and 1600 ppm) in a plant factory. Two and four weeks after transplantation, leaf samples were collected to evaluate the physical growth and glucosinolate contents. The statistical significance of the treatment effects was determined by two-way analysis of variance, and Duncan’s multiple range test was used to compare the means. A correlation matrix was constructed to show possible linear trends among the dependent variables. The observed optimal temperature, relative humidity, and CO2 range for growth (20–23 °C, 85%, and 700–1000 ppm) and total glucosinolate content (14–17 °C, 55–75%, and 1300–1600 ppm) were different. Furthermore, the glucosinolate content in kale decreased with the increase of temperature and relative humidity levels, and increased with the increase of CO2 concentration. Most of the physical growth variables showed strong positive correlations with each other but negative correlations with glucosinolate components. The findings of this study could be used by growers to maintain optimum environmental conditions for the better growth and production of glucosinolate-rich kale leaves in protected cultivation facilities.
In Vitro Antiplatelet Activity of Mulberroside C through the Up-Regulation of Cyclic Nucleotide Signaling Pathways and Down-Regulation of Phosphoproteins
Authors: Kwon Hyuk-Woo , Lee Dong-Ha , Rhee Man Hee , Shin Jung-Hae
Published: July 2021

Physiological agonists trigger signaling cascades, called “inside-out signaling”, and activated platelets facilitate adhesion, shape change, granule release, and structural change of glycoprotein IIb/IIIa (αIIb/β3). Activated αIIb/β3 interacts with fibrinogen and begins second signaling cascades called “outside-in signaling”. These two signaling pathways can lead to hemostasis or thrombosis. Thrombosis can occur in arterial and venous blood vessels and is a major medical problem. Platelet-mediated thrombosis is a major cause of cardiovascular disease (CVD). Therefore, controlling platelet activity is important for platelet-mediated thrombosis and cardiovascular diseases. In this study, focus on Morus Alba Linn, a popular medicinal plant, to inhibit the function of platelets and found the containing component mulberroside C. We examine the effect of mulberroside C on the regulation of phosphoproteins, platelet-activating factors, and binding molecules. Agonist-induced human platelet aggregation is dose-dependently inhibited by mulberroside C without cytotoxicity, and it decreased Ca2+ mobilization and p-selectin expression through the upregulation of inositol 1, 4, 5-triphosphate receptor I (Ser1756), and downregulation of extracellular signal-regulated kinase (ERK). In addition, mulberroside C inhibited thromboxane A2 production, fibrinogen binding, and clot retraction. Our results show antiplatelet effects and antithrombus formation of mulberroside C in human platelets. Thus, we confirm that mulberroside C could be a potential phytochemical for the prevention of thrombosis-mediated CVDs.
Predicting Spatial Patterns of Sindbis Virus (SINV) Infection Risk in Finland Using Vector, Host and Environmental Data
Authors: Uusitalo Ruut , Siljander Mika , Culverwell C. Lorna , Hendrickx Guy , Lindén Andreas , Dub Timothée , Aalto Juha , Sane Jussi , Marsboom Cedric , Suvanto Maija T. , Vajda Andrea , Gregow Hilppa , Korhonen Essi M. , Huhtamo Eili , Pellikka Petri , Vapalahti Olli
Published: July 2021

Pogosta disease is a mosquito-borne infection, caused by Sindbis virus (SINV), which causes epidemics of febrile rash and arthritis in Northern Europe and South Africa. Resident grouse and migratory birds play a significant role as amplifying hosts and various mosquito species, including Aedes cinereus, Culex pipiens, Cx. torrentium and Culiseta morsitans are documented vectors. As specific treatments are not available for SINV infections, and joint symptoms may persist, the public health burden is considerable in endemic areas. To predict the environmental suitability for SINV infections in Finland, we applied a suite of geospatial and statistical modeling techniques to disease occurrence data. Using an ensemble approach, we first produced environmental suitability maps for potential SINV vectors in Finland. These suitability maps were then combined with grouse densities and environmental data to identify the influential determinants for SINV infections and to predict the risk of Pogosta disease in Finnish municipalities. Our predictions suggest that both the environmental suitability for vectors and the high risk of Pogosta disease are focused in geographically restricted areas. This provides evidence that the presence of both SINV vector species and grouse densities can predict the occurrence of the disease. The results support material for public-health officials when determining area-specific recommendations and deliver information to health care personnel to raise awareness of the disease among physicians.
Chronic Orofacial Pain: Models, Mechanisms, and Genetic and Related Environmental Influences
Authors: Sessle Barry J.
Published: July 2021

Chronic orofacial pain conditions can be particularly difficult to diagnose and treat because of their complexity and limited understanding of the mechanisms underlying their aetiology and pathogenesis. Furthermore, there is considerable variability between individuals in their susceptibility to risk factors predisposing them to the development and maintenance of chronic pain as well as in their expression of chronic pain features such as allodynia, hyperalgesia and extraterritorial sensory spread. The variability suggests that genetic as well as environmental factors may contribute to the development and maintenance of chronic orofacial pain. This article reviews these features of chronic orofacial pain, and outlines findings from studies in animal models of the behavioural characteristics and underlying mechanisms related to the development and maintenance of chronic orofacial pain and trigeminal neuropathic pain in particular. The review also considers the role of environmental and especially genetic factors in these models, focussing on findings of differences between animal strains in the features and underlying mechanisms of chronic pain. These findings are not only relevant to understanding underlying mechanisms and the variability between patients in the development, expression and maintenance of chronic orofacial pain, but also underscore the importance for considering the strain of the animal to model and explore chronic orofacial pain processes.
Oral Corticosteroids Dependence and Biologic Drugs in Severe Asthma: Myths or Facts? A Systematic Review of Real-World Evidence
Authors: Calzetta Luigino , Aiello Marina , Frizzelli Annalisa , Bertorelli Giuseppina , Rogliani Paola , Chetta Alfredo
Published: July 2021

Airway inflammation represents an important characteristic in asthma, modulating airflow limitation and symptom control, and triggering the risk of asthma exacerbation. Thus, although corticosteroids represent the cornerstone for the treatment of asthma, severe patients may be dependent on oral corticosteroids (OCSs). Fortunately, the current humanised monoclonal antibodies (mAbs) benralizumab, dupilumab, mepolizumab, omalizumab, and reslizumab have been proven to induce an OCS-sparing effect in randomized controlled trials (RCTs), thus overcoming the problem of OCS dependence in severe asthma. Nevertheless, a large discrepancy has been recognized between selected patients enrolled in RCTs and non-selected asthmatic populations in real-world settings. It is not possible to exclude that the OCS-sparing effect of mAbs resulting from the RCTs could be different than the real effect resulting in clinical practice. Therefore, we performed a systematic review and correlation analysis to assess whether mAbs are effective in eliciting an OCS-sparing effect and overcoming the OCS dependence in severe asthmatic patients in real-world settings. Overall, real-world studies support the evidence that OCS dependence is a real condition that, however, can be found only in a small number of really severe asthmatic patients. In most patients, the dependence on OCS can be related to modifying factors that, when adequately modulated, may lead to a significant reduction or suspension of OCS maintenance. Conversely, in severe asthmatics in whom OCS resistance is proved by a high daily dose intake, mAbs allow reversion of the OCS dependence, leading to the suspension of OCS therapy in most patients or >50% reduction in the daily OCS dose.
Explanation of the Formation of Complexes between Representatives of Oxazolidinones and HDAS-β-CD Using Molecular Modeling as a Complementary Technique to cEKC and NMR
Authors: Bocian Wojciech , Bednarek Elżbieta , Michalska Katarzyna
Published: July 2021

Molecular modeling (MM) results for tedizolid and radezolid with heptakis-(2,3-diacetyl-6-sulfo)-β-cyclodextrin (HDAS-β-CD) are presented and compared with the results previously obtained for linezolid and sutezolid. The mechanism of interaction of chiral oxazolidinone ligands belonging to a new class of antibacterial agents, such as linezolid, tedizolid, radezolid, and sutezolid, with HDAS-β-CD based on capillary electrokinetic chromatography (cEKC), nuclear magnetic resonance (NMR) spectroscopy, and MM methods was described. Principles of chiral separation of oxazolidinone analogues using charged single isomer derivatives of cyclodextrin by the cEKC method were presented, including the selection of the optimal chiral selector and separation conditions, complex stoichiometry, and binding constants, which provided a comprehensive basis for MM studies. In turn, NMR provided, where possible, direct information on the geometry of the inclusion complexes and also provided the necessary structural information to validate the MM calculations. Consequently, MM contributed to the understanding of the structure of diastereomeric complexes, the thermodynamics of complexation, and the visualization of their structures. The most probable mean geometries of the studied supramolecular complexes and their dynamics (geometry changes over time) were determined by molecular dynamics methods. Oxazolidinone ligands have been shown to complex mainly the inner part of cyclodextrin, while the external binding is less privileged, which is consistent with the conclusions of the NMR studies. Enthalpy values of binding of complexes were calculated using long-term molecular dynamics in explicit water as well as using molecular mechanics, the Poisson–Boltzmann or generalized Born, and surface area continuum solvation (MM/PBSA and MM/GBSA) methods. Computational methods predicted the effect of changes in pH and composition of the solution on the strength and complexation process, and it adapted the conditions selected as optimal during the cEKC study. By changing the dielectric constant in the MM/PBSA and MM/GBSA calculations, the effect of changing the solution to methanol/acetonitrile was investigated. A fairly successful attempt was made to predict the chiral separation of the oxazolidinones using the modified cyclodextrin by computational methods.
The Longitudinal Pediatric Data Resource: Facilitating Longitudinal Collection of Health Information to Inform Clinical Care and Guide Newborn Screening Efforts
Authors: Brower Amy , Chan Kee , Hartnett Michael , Taylor Jennifer
Published: July 2021

The goal of newborn screening is to improve health outcomes by identifying and treating affected newborns. This manuscript provides an overview of a data tool to facilitate the longitudinal collection of health information on newborns diagnosed with a condition through NBS. The Newborn Screening Translational Research Network (NBSTRN) developed the Longitudinal Pediatric Data Resource (LPDR) to capture, store, analyze, visualize, and share genomic and phenotypic data over the lifespan of NBS identified newborns to facilitate understanding of genetic disease and to assess the impact of early identification and treatment. NBSTRN developed a consensus-based process using clinical care experts to create, maintain, and evolve question and answer sets organized into common data elements (CDEs). The LPDR contains 24,172 core and disease specific CDEs for 118 rare genetic diseases, and the CDEs are being made available through the NIH CDE Repository. The number of CDEs for each condition average of 2200 with a range from 69 to 7944. The LPDR is used by state NBS programs, clinical researchers, and community-based organizations. Case level, de-identified data sets are available for secondary research and data mining. The development of the LPDR for longitudinal data gathering, sharing, and analysis supports research and facilitates the translation of discoveries into clinical practice.
Challenges, Techniques, and Trends of Simple Knowledge Graph Question Answering: A Survey
Authors: Yani Mohammad , Krisnadhi Adila Alfa
Published: July 2021

Simple questions are the most common type of questions used for evaluating a knowledge graph question answering (KGQA). A simple question is a question whose answer can be captured by a factoid statement with one relation or predicate. Knowledge graph question answering (KGQA) systems are systems whose aim is to automatically answer natural language questions (NLQs) over knowledge graphs (KGs). There are varieties of researches with different approaches in this area. However, the lack of a comprehensive study to focus on addressing simple questions from all aspects is tangible. In this paper, we present a comprehensive survey of answering simple questions to classify available techniques and compare their advantages and drawbacks in order to have better insights of existing issues and recommendations to direct future works.
Compelling Long-Term Results for Liver Resection in Early Cholangiocarcinoma
Authors: Bednarsch Jan , Czigany Zoltan , Heij Lara R. , Liu Dong , den Dulk Marcel , Wiltberger Georg , Bruners Philipp , Ulmer Tom Florian , Neumann Ulf Peter , Lang Sven Arke
Published: July 2021

Surgery for intrahepatic cholangiocarcinoma (iCCA) is associated with a high rate of recurrence even after complete resection. To achieve acceptable results, preoperative patient selection is crucial. Hence, we aimed to identify preoperative characteristics with prognostic value focusing on certain radiological features. Patients who underwent hepatectomy for iCCA between 2010 and 2020 at University Hospital, RWTH Aachen were included. Kaplan–Meier and Cox regressions were applied for survival analysis and associations of overall survival (OS) and recurrence-free survival (RFS) with clinical/radiological characteristics, respectively. Based on radiological features patients were stratified into three groups: single nodule ≤ 3 cm, single nodule > 3 cm, and ≥2 nodules. Analysis of 139 patients revealed a mean OS of 142 months for those with a single nodule ≤3 cm, median OS of 28 months with a single nodule >3 cm, and 19 months with ≥2 nodules, respectively. Multivariable analyses based on preoperative characteristics showed the radiological stratification to be independently associated with OS (HR (hazard ratio) = 4.25 (1 nodule, >3 cm), HR = 5.97 (≥2 nodules), p = 0.011), RFS (HR = 4.18 (1 nodule, >3 cm), and HR = 11.07 (≥2 nodules), p = 0.001). In conclusion, patients with single iCCA ≤3 cm show compelling OS and RFS. Basic radiological features (e.g., nodule size, number) are prognostic for patients undergoing surgery and useful in preoperative patient selection.
Can Intergroup Contact in Virtual Reality (VR) Reduce Stigmatization Against People with Schizophrenia?
Authors: Stelzmann Daniela , Toth Roland , Schieferdecker David
Published: July 2021

People with mental disorders such as schizophrenia do not only suffer from the symptoms of their disorders but also from the stigma attached to it. Although direct intergroup contact is an effective tool to reduce stigmatization, it is rare in real life and costly to be established in interventions, and the success of traditional media campaigns is debatable. We propose Virtual Reality (VR) as a low-threshold alternative for establishing contact since it involves less barriers for affected and unaffected persons. In a 2 + 1 experiment (n = 114), we compared the effects of encounters with a person with schizophrenia through a VR video with contact through a regular video and no contact at all on anxiety, empathy, social proximity, and benevolence towards people with schizophrenia. We found that contact via VR reduced stigmatization only for participants who liked the person encountered. Our data suggest that it is crucial how participants evaluate the person that they encounter and that stronger perception of spatial presence during reception plays an important role, too. Therefore, we discussvarious boundary conditions that need to be considered in VR interventions and future research on destigmatization towards mental disorders, especially schizophrenia.
The Role of Conventional and Stereotactic Microwave Ablation for Intrahepatic Cholangiocarcinoma
Authors: Kim-Fuchs Corina , Candinas Daniel , Lachenmayer Anja
Published: July 2021

Background: The incidence and mortality of intrahepatic cholangiocarcinoma (ICCA) is increasing worldwide and curative treatment options are limited due to the aggressive tumor biology and often late diagnosis. Resection of the primary tumor remains the only curative therapy available, as the benefit of palliative chemotherapy and radiotherapy is relatively small. In contrast to hepatocellular carcinoma, minimal-invasive thermal tumor ablation, and in particular stereotactic tumor ablation for small primary cancers or metastases, is not established and data are scarce. Methods: We conducted a literature review in the field of ICCA ablation and retrospective analysis of 10 patients treated by stereotactic microwave ablation (SMWA) for either primary ICCA or liver metastases of ICCA. Results: While current guidelines have no consensus for ablation of primary ICCA, some state that it might be an option in inoperable patients or those with recurrent disease. The literature review revealed 11 studies on microwave ablation for ICCA reporting that MWA for ICCA ≤ 5 cm might be safe and could be a treatment option for patients who are not candidates for surgery. No data has been published on stereotactic microwave ablation (SMWA) for ICCA. The analyses of our own data of 10 patients treated by SMWA for primary ICCA (n = 5) or recurrent ICCA (n = 5) show that the treatment is safe and efficient with short hospital stays and low complication rates. Conclusion: Although thermal ablation, and in particular SMWA, might be a minimally invasive and tissue-sparing curative treatment alternative for small ICCA in the diseased liver and ICCA metastases, the oncologic benefit still needs to be shown in larger studies with longer follow-up.
Chest X-ray Score and Frailty as Predictors of In-Hospital Mortality in Older Adults with COVID-19
Authors: Cecchini Sara , Di Rosa Mirko , Soraci Luca , Fumagalli Alessia , Misuraca Clementina , Colombo Daniele , Piomboni Iacopo , Carnevali Francesca , Paci Enrico , Galeazzi Roberta , Giordano Piero , Fedecostante Massimiliano , Cherubini Antonio , Lattanzio Fabrizia
Published: July 2021

Background. The purpose of this study was to evaluate the prognostic impact of chest X-ray (CXR) score, frailty, and clinical and laboratory data on in-hospital mortality of hospitalized older patients with COVID-19. Methods. This retrospective study included 122 patients 65 years or older with positive reverse transcription polymerase chain reaction for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) and with availability to CXRs on admission. The primary outcome of the study was in-hospital mortality. Statistical analysis was conducted using Cox regression. The predictive ability of the CXR score was compared with the Clinical Frailty Scale (CFS) and fever data using Area Under the Curve (AUC) and net reclassification improvement (NRI) statistics. Results. Of 122 patients, 67 died during hospital stay (54.9%). The CXR score (HR: 1.16, 95% CI, 1.04–1.28), CFS (HR: 1.27; 95% CI, 1.09–1.47), and presence of fever (HR: 1.75; 95% CI, 1.03–2.97) were significant predictors of in-hospital mortality. The addition of both the CFS and presence of fever to the CXR score significantly improved the prediction of in-hospital mortality (NRI, 0.460; 95% CI, 0.102 to 0.888; AUC difference: 0.117; 95% CI, 0.041 to 0.192, p = 0.003). Conclusions. CXR score, CFS, and presence of fever were the main predictors of in-hospital mortality in our cohort of hospitalized older patients with COVID-19. Adding frailty and presence of fever to the CXR score statistically improved predictive accuracy compared to single risk factors.
The Association between Sex and Risk of Alzheimer’s Disease in Adults with Down Syndrome
Authors: Mhatre Pooja Girish , Lee Joseph H. , Pang Deborah , Zigman Warren B. , Tycko Benjamin , Krinsky-McHale Sharon J. , Yang Yuchen , Silverman Wayne , Schupf Nicole
Published: July 2021

Background: Sex differences in the risk of Alzheimer’s Disease (AD) in adults with Down Syndrome (DS) have not been extensively investigated, and existing studies have found conflicting results. This study examined the effect of sex on the risk of AD in adults with DS, adjusted for covariates. Methods: Adults with DS were assessed longitudinally for the development of AD. Competing risk survival analyses were used to determine the effect of sex alone and after adjustment for APOE-ε4 status, ethnicity, and level of intellectual disability (ID). Results: Sex differences were significant only in adults over 60 years of age, where men with DS were 6.32 (95% CI: 2.11–18.96, p < 0.001) times more likely to develop AD compared with age-matched women with DS. Conclusions: There is an age-associated effect of sex on the risk of AD, with men over 60 years old having six times the risk of AD compared with age-matched women, independent of APOE-ε4 status, ethnicity, and level of ID.
Understanding Uncontrolled Eating after Bariatric Surgery: The Role of Excessive Skin and Body Image Shame
Authors: de Lourdes Marta , Cerqueira Luísa , Pinto-Bastos Ana , Marôco João , Palmeira Lara , Brandão Isabel , Vaz Ana Rita , Conceição Eva
Published: July 2021

Excess skin and disordered eating behaviors are referred to as some of the major negative consequences of bariatric surgery as well as body image shame. This study sought to explore how discomfort with excessive skin, body image shame, psychological distress, eating-related psychopathology, and negative urgency interact to understand uncontrolled eating among woman submitted to bariatric surgery. A cross-sectional sample of 137 women was evaluated postoperatively through self-report questionnaires assessing discomfort with excess skin, body image shame, eating-related psychopathology, negative urgency, and uncontrolled eating in a hospital center in the north of Portugal. Pearson correlations and Structural Equation Modeling (SEM) were performed. Body image shame mediated the relationship between discomfort with excess skin and eating-related psychopathology. In turn, the relationship between eating-related psychopathology and uncontrolled eating was mediated by negative urgency. This study highlights the impact of excess skin and body image shame on eating behavior post-bariatric-surgery. Considering the proven impact of uncontrolled eating on weight-loss results post-surgery, understanding the mechanisms underlying this problem is highly important. Our findings provide helpful insight for multidisciplinary teams committed to providing care to bariatric patients struggling with body image and eating difficulties.
Reducing Cardiac Injury during ST-Elevation Myocardial Infarction: A Reasoned Approach to a Multitarget Therapeutic Strategy
Authors: Bellis Alessandro , Di Gioia Giuseppe , Mauro Ciro , Mancusi Costantino , Barbato Emanuele , Izzo Raffaele , Trimarco Bruno , Morisco Carmine
Published: July 2021

The significant reduction in ‘ischemic time’ through capillary diffusion of primary percutaneous intervention (pPCI) has rendered myocardial-ischemia reperfusion injury (MIRI) prevention a major issue in order to improve the prognosis of ST elevation myocardial infarction (STEMI) patients. In fact, while the ischemic damage increases with the severity and the duration of blood flow reduction, reperfusion injury reaches its maximum with a moderate amount of ischemic injury. MIRI leads to the development of post-STEMI left ventricular remodeling (post-STEMI LVR), thereby increasing the risk of arrhythmias and heart failure. Single pharmacological and mechanical interventions have shown some benefits, but have not satisfactorily reduced mortality. Therefore, a multitarget therapeutic strategy is needed, but no univocal indications have come from the clinical trials performed so far. On the basis of the results of the consistent clinical studies analyzed in this review, we try to design a randomized clinical trial aimed at evaluating the effects of a reasoned multitarget therapeutic strategy on the prevention of post-STEMI LVR. In fact, we believe that the correct timing of pharmacological and mechanical intervention application, according to their specific ability to interfere with survival pathways, may significantly reduce the incidence of post-STEMI LVR and thus improve patient prognosis.
Quantitative Analyses of the Left Ventricle Volume and Cardiac Function in Normal and Infarcted Yucatan Minipigs
Authors: Naumova Anna V. , Kicska Gregory , Pimentel Kiana , Neidig Lauren E. , Tsuchida Hiroshi , Nakamura Kenta , Murry Charles E.
Published: July 2021

(1) Background: The accuracy of the left ventricular volume (LVV) and contractility measurements with cardiac magnetic resonance imaging (CMRI) is decreased if the papillary muscles are abnormally enlarged, such as in hypertrophic cardiomyopathy in human patients or in pig models of human diseases. The purpose of this work was to establish the best method of LVV quantification with CMRI in pigs. (2) Methods: The LVV in 29 Yucatan minipig hearts was measured using two different techniques: the “standard method”, which uses smooth contouring along the endocardial surface and adds the papillary volume to the ventricular cavity volume, and the “detailed method”, which traces the papillary muscles and trabeculations and adds them to the ventricular mass. (3) Results: Papillary muscles add 21% to the LV mass in normal and infarcted hearts of Yucatan minipigs. The inclusion or exclusion of these from the CMRI analysis significantly affected the study results. In the normal pig hearts, the biggest differences were found in measurements of the LVV, ejection fraction (EF), LV mass and indices derived from the LV mass (p < 0.001). The EF measurement in the normal pig heart was 11% higher with the detailed method, and 19% higher in the infarcted pig hearts (p < 0.0001). The detailed method of endocardium tracing with CMRI closely represented the LV mass measured ex vivo. (4) Conclusions: The detailed method, which accounts for the large volume of the papillary muscles in the pig heart, provides better accuracy and interobserver consistency in the assessment of LV mass and ejection fraction, and might therefore be preferable for these analyses.
Convex Optimisation Model for Ship Speed Profile: Optimisation under Fixed Schedule
Authors: Huotari Janne , Manderbacka Teemu , Ritari Antti , Tammi Kari
Published: July 2021

We present a novel convex optimisation model for ship speed profile optimisation under varying environmental conditions, with a fixed schedule for the journey. To demonstrate the efficacy of the proposed method, a combined speed profile optimisation model was developed that employed an existing dynamic programming approach, along the novel convex optimisation model. The proposed model was tested with 5 different ships for 20 journeys from Houston, Texas to London Gateway, with differing environmental conditions, which were retrieved from actual weather forecasts. As a result, it was shown that the combined model with both dynamic programming and convex optimisation was approximately 22% more effective in developing a fuel saving speed profile compared to dynamic programming alone. Overall, average fuel savings for the studied voyages with speed profile optimisation was approximately 1.1% compared to operation with a fixed speed and 3.5% for voyages where significant variance in environmental conditions was present. Speed profile optimisation was found to be especially beneficial in cases where detrimental environmental conditions could be avoided with minor speed adjustments. Relaxation of the fixed schedule constraint likely leads to larger savings but makes comparison virtually impossible as a lower speed leads to lower propulsion energy needed.