bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction and validation of melt pool dimensions and geometric distortions of additively manufactured AlSi10Mg
Authors: Ullah Rizwan , Lian Junhe , Akmal Jan , Wu Jiaojiao , Niemi Esko 
Published: April 2023

AbstractA finite element–based thermomechanical modeling approach is developed in this study to provide a prediction of the mesoscale melt pool behavior and part-scale properties for AlSi10Mg alloy. On the mesoscale, the widely adopted Goldak heat source model is used to predict melt pool formed by laser during powder bed fusion process. This requires the determination of certain parameters as they control temperature distribution and, hence, melt pool boundaries. A systematic parametric approach is proposed to determine parameters, i.e., absorption coefficient and transient temperature evolution. The simulation results are compared in terms of morphology of melt pool with the literature results. Considering the part-scale domain, there is increasing demand for predicting geometric distortions and analyzing underlying residual stresses, which are highly influenced by the mesh size and initial temperature setup. This study aims to propose a strategy for evaluating the correlation between the mesh size and the initial temperature to provide correct residual stresses when increasing the scale of the model for efficiency. The outcomes revealed that the predicted melt pool error produced by optimal Goldak function parameters is between 5 and 12%. On the part-scale, the finite element model is less sensitive to mesh size for distortion prediction, and layer-lumping can be used to increase the speed of simulation. The effect of large time increments and layer lumping can be compensated by appropriate initial temperature value for AlSi10Mg. The study aids practitioners and researchers to establish and validate design for additive manufacturing within the scope of desired part quality metrics.
Extending the GPS IIIA antenna calibration for precise orbit determination of low Earth orbit satellites
Authors: Conrad Alex , Desai Shailen , Haines Bruce , Axelrad Penina 
Published: April 2023

AbstractHigh-precision applications of GNSS require accurate calibrations to correct for phase variations of the transmitting antennas. Calibrations distributed by the International GNSS Service (IGS), based upon observations from the global network of ground stations, are often used as the source of the transmitter calibrations as they are inherently linked to a specific definition of the International Terrestrial Reference Frame. The IGS provides antenna phase variations as a function of boresight angle for each basic block of navigation satellite. To support scientific missions operating in low Earth orbit, the antenna calibrations must be extended beyond the 14-degrees limit that can be observed by GNSS receivers on the Earth. Extended antenna calibrations to accommodate low Earth orbiting satellites have already been derived for the GPS Block II satellites. This paper derives an extension solution for the new GPS IIIA antenna calibration, based on a year of observations from the Sentinel-6 Michael Freilich altimetry mission and validated using Jason-3. These solutions are inherently consistent with the IGS-provided models of the Block II antenna calibrations. We use the new model for the GPS IIIA transmitter antenna calibration extensions to evaluate the impact on precise orbit solutions of both Sentinel-6 MF and Jason-3.
Fault diagnosis for PV system using a deep learning optimized via PSO heuristic combination technique
Authors: Eldeghady Ghada Shaban , Kamal Hanan Ahmed , Hassan Mohamed A. Moustafa 
Published: April 2023

AbstractA heuristic particle swarm optimization combined with Back Propagation Neural Network (BPNN-PSO) technique is proposed in this paper to improve the convergence and the accuracy of prediction for fault diagnosis of Photovoltaic (PV) array system. This technique works by applying the ability of deep learning for classification and prediction combined with the particle swarm optimization ability to find the best solution in the search space. Some parameters are extracted from the output of the PV array to be used for identification purpose for the fault diagnosis of the system. The results using the back propagation neural network method only and the method of the back propagation heuristic combination technique are compared. The back propagation algorithm converges after 350 steps while the proposed BP-PSO algorithm converges only after 250 steps in the training phase. The accuracy of prediction using the BP algorithms is about 87.8% while the proposed BP-PSO algorithm achieved 95% of right predictions. It was clearly shown that the results of the back propagation heuristic combination technique had better results in the convergence of the simulation as well as in the accuracy of the prediction of the fault diagnosis in the PV system.
Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC
Authors: Kierspel Thomas , Kadek Alan , Barran Perdita , Bellina Bruno , Bijedic Adi , Brodmerkel Maxim N. , Commandeur Jan , Caleman Carl , Damjanović Tomislav , Dawod Ibrahim , De Santis Emiliano , Lekkas Alexandros , Lorenzen Kristina , Morillo Luis López , Mandl Thomas , Marklund Erik G. , Papanastasiou Dimitris , Ramakers Lennart A. I. , Schweikhard Lutz , Simke Florian , Sinelnikova Anna , Smyrnakis Athanasios , Timneanu Nicusor , Uetrecht Charlotte ,   for the MS SPIDOC Consortium
Published: April 2023

AbstractMS SPIDOC is a novel sample delivery system designed for single (isolated) particle imaging at X-ray Free-Electron Lasers that is adaptable towards most large-scale facility beamlines. Biological samples can range from small proteins to MDa particles. Following nano-electrospray ionization, ionic samples can be m/z-filtered and structurally separated before being oriented at the interaction zone. Here, we present the simulation package developed alongside this prototype. The first part describes how the front-to-end ion trajectory simulations have been conducted. Highlighted is a quadrant lens; a simple but efficient device that steers the ion beam within the vicinity of the strong DC orientation field in the interaction zone to ensure spatial overlap with the X-rays. The second part focuses on protein orientation and discusses its potential with respect to diffractive imaging methods. Last, coherent diffractive imaging of prototypical T = 1 and T = 3 norovirus capsids is shown. We use realistic experimental parameters from the SPB/SFX instrument at the European XFEL to demonstrate that low-resolution diffractive imaging data (q < 0.3 nm−1) can be collected with only a few X-ray pulses. Such low-resolution data are sufficient to distinguish between both symmetries of the capsids, allowing to probe low abundant species in a beam if MS SPIDOC is used as sample delivery.
Improved LC–MS identification of short homologous peptides using sequence-specific retention time predictors
Authors: Hollebrands Boudewijn , Hageman Jos A. , van de Sande Jasper W. , Albada Bauke , Janssen Hans-Gerd 
Published: April 2023

AbstractPeptides are an important group of compounds contributing to the desired, as well as the undesired taste of a food product. Their taste impressions can include aspects of sweetness, bitterness, savoury, umami and many other impressions depending on the amino acids present as well as their sequence. Identification of short peptides in foods is challenging. We developed a method to assign identities to short peptides including homologous structures, i.e. peptides containing the same amino acids with a different sequence order, by accurate prediction of the retention times during reversed phase separation. To train the method, a large set of well-defined short peptides with systematic variations in the amino acid sequence was prepared by a novel synthesis strategy called ‘swapped-sequence synthesis’. Additionally, several proteins were enzymatically digested to yield short peptides. Experimental retention times were determined after reversed phase separation and peptide MS2 data was acquired using a high-resolution mass spectrometer operated in data-dependent acquisition mode (DDA). A support vector regression model was trained using a combination of existing sequence-independent peptide descriptors and a newly derived set of selected amino acid index derived sequence-specific peptide (ASP) descriptors. The model was trained and validated using the experimental retention times of the 713 small food-relevant peptides prepared. Whilst selecting the most useful ASP descriptors for our model, special attention was given to predict the retention time differences between homologous peptide structures. Inclusion of ASP descriptors greatly improved the ability to accurately predict retention times, including retention time differences between 157 homologous peptide pairs. The final prediction model had a goodness-of-fit (Q2) of 0.94; moreover for 93% of the short peptides, the elution order was correctly predicted.
Graphical abstract
Evolution of Alternaria toxins during the brewing process and the usability of optical sorting methods to reduce mycotoxin concentrations in beer
Authors: Bretträger Marina , Scheibenzuber Sophie , Asam Stefan , Rychlik Michael , Gastl Martina , Becker Thomas 
Published: April 2023

AbstractTo assess the impact of black-colored grain on Alternaria mycotoxin concentrations in different stages of the brewing process, brewing experiments were conducted in a microscale brewhouse. Different mixtures of visually unaffected and black-colored batches of two malt samples were used, which were obtained by an optical sorting device. The 13 Alternaria mycotoxins alternariol (AOH), alternariol monomethyl ether (AME), tenuazonic acid (TeA), tentoxin (TEN), alterperylenol (ALTP), altertoxins I and II (ATX I and II), altenuene (ALT) as well as the modified forms AOH-3-glucoside (AOH-3-G), AOH-9-glucoside (AOH-9-G), AME-3-gluoside (AME-3-G), AOH-3-sulfate (AOH-3-S) and AME-3-sulfate (AME-3-S) were analyzed in each processing step by liquid chromatography–tandem mass spectrometry (LC–MS/MS), and the toxin concentrations were balanced over the whole brewing process. Fungal DNA content in the starting material (mixtures) was determined by quantitative real-time polymerase chain reaction (qPCR). In this study, TeA was the only toxin to migrate into the final beer, while the AOH, AME, TEN, ALTP and ATX I toxins were mainly found in the spent grains. The observance of AOH-3-S and AME-3-S in some processing steps also showed the possibility of modification reactions during brewing. Furthermore, no distinct correlations between the fungal DNA and the analyzed mycotoxins could be observed in the starting material, while the amount of black colored grains only impacted toxin concentrations in one of the two used malt samples. Nevertheless, it was shown that optical sorting of malt batches might be a useful tool for the malting and brewing industry to prevent elevated mycotoxin concentrations.
A review of current knowledge on reproductive and larval processes of deep-sea corals
Authors: Waller Rhian G. , Goode Savannah , Tracey Di , Johnstone Julia , Mercier Annie 
Published: April 2023

AbstractThe presence of corals living in deep waters around the globe has been documented in various publications since the late 1800s, when the first research vessels set sail on multi-year voyages. Ecological research on these species, however, only truly began some 100 years later. We now know that many species of deep-sea coral provide ecosystem services by creating complex habitat for thousands of associated species, and thus are major contributors to global marine biodiversity. Among the many vital ecological processes, reproduction provides a fundamental link between individuals and populations of these sessile organisms that enables the maintenance of current populations and provides means for expansion to new areas. While research on reproduction of deep-sea corals has increased in pace over the last 20 years, the field is still vastly understudied, with less than 4% of all known species having any aspect of reproduction reported. This knowledge gap is significant, because information on reproduction is critical to our understanding of species-specific capacity to recover from disturbances (e.g., fishing impacts, ocean warming, and seafloor mining). It is important, therefore, to examine the current state of knowledge regarding deep-sea coral reproduction to identify recent advances and potential research priorities, which was the aim of the present study. Specifically, this review synthesizes the research carried out to date on reproduction in deep-living species of corals in the orders Alcyonacea, Scleractinia, Antipatharia, Pennatulacea (class Anthozoa), and family Stylasteridae (class Hydrozoa).
Muscle atrophy in diabetic patients with Charcot foot: a case-control study
Authors: Berli Martin C. , Azaiez Nicolas , Götschi Tobias , Pfirrmann Christian W. A. , Uçkay Ilker , Sutter Reto , Waibel Felix W.A. , Rosskopf Andrea B. 
Published: April 2023

Abstract
Purpose
To evaluate the distribution and severity of muscle atrophy in diabetic patients with active Charcot foot (CF) compared to diabetic patients without CF. Furthermore, to correlate the muscle atrophy with severity of CF disease.

Material/methods
In this retrospective study, MR images of 35 diabetic patients (21 male, median:62.1 years ± 9.9SD) with active CF were compared with an age- and gender-matched control group of diabetic patients without CF. Two readers evaluated fatty muscle infiltration (Goutallier-classification) in the mid- and hindfoot. Furthermore, muscle trophic (cross-sectional muscle area (CSA)), intramuscular edema (none/mild versus moderate/severe), and the severity of CF disease (Balgrist Score) were assessed.

Results
Interreader correlation for fatty infiltration was substantial to almost perfect (kappa-values:0.73–1.0). Frequency of fatty muscle infiltration was high in both groups (CF:97.1–100%; control:77.1–91.4%), but severe infiltration was significantly more frequent in CF patients (p-values: < 0.001–0.043). Muscle edema was also frequently seen in both groups, but significantly more often in the CF group (p-values: < 0.001–0.003). CSAs of hindfoot muscles were significantly smaller in the CF group. For the flexor digitorum brevis muscle, a cutoff value of 139 mm2 (sensitivity:62.9%; specificity:82.9%) in the hindfoot was found to differentiate between CF disease and the control group. No correlation was seen between fatty muscle infiltration and the Balgrist Score.

Conclusion
Muscle atrophy and muscle edema are significantly more severe in diabetic patients with CF disease. Muscle atrophy does not correlate with the severity of active CF disease. A CSA < 139 mm2 of the flexor digitorum brevis muscle in the hindfoot may indicate CF disease.
Environmental Investigation and Surveillance for Legionella in Aotearoa New Zealand, 2000–2020
Authors: Graham Frances F. , Harte David J. G. , Baker Michael G. 
Published: April 2023

AbstractThe reported rate of legionellosis is increasing in Aotearoa New Zealand (NZ) with most cases community-acquired, sporadic (non-outbreak) and without an identifiable source. This analysis used two datasets to describe the environmental sources that contribute to Legionella in NZ, based on linkages with outbreaks and sporadic clinical cases, and analysis of environmental testing data. These findings highlight the need for enhanced environmental investigation of clinical cases and outbreaks. There is also a need for systematic surveillance testing of high-risk source environments to support more rigorous controls to prevent legionellosis.
Diagnostic value of DECT-based colored collagen maps for the assessment of cruciate ligaments in patients with acute trauma
Authors: Gruenewald Leon D. , Koch Vitali , Martin Simon S. , Yel Ibrahim , Mahmoudi Scherwin , Bernatz Simon , Eichler Katrin , Alizadeh Leona S. , D’Angelo Tommaso , Mazziotti Silvio , Singer Hendrik , Heck Vincent , Vogl Thomas J. , Booz Christian 
Published: April 2023

Abstract
Objectives
The purpose of this study was to evaluate the diagnostic accuracy of third-generation dual-source dual-energy CT (DECT) color-coded collagen reconstructions for the assessment of the cruciate ligaments compared to standard grayscale image reconstruction.

Methods
Patients who underwent third-generation dual-source DECT followed by either 3-T MRI or arthroscopy of the knee joint within 14 days between January 2016 and December 2021 were included in this retrospective study. Five radiologists independently evaluated conventional grayscale DECT for the presence of injury to the cruciate ligaments; after 4 weeks, readers re-evaluated the examinations using grayscale images and color-coded collagen reconstructions. A reference standard for MRI was provided by a consensus reading of two experienced readers and arthroscopy. Sensitivity and specificity were the primary metrics of diagnostic performance.

Results
Eighty-five patients (mean age, 44 years ± 16; 50 male) with injury to the ACL or PCL (n = 31) were ultimately included. Color-coded collagen reconstructions significantly increased overall sensitivity (94/105 [90%] vs. 67/105 [64%]), specificity (248/320 [78%] vs. 215/320 [67%]), PPV (94/166 [57%] vs. 67/162 [39%]), NPV (248/259 [96%] vs. 215/253 [85%]), and accuracy (342/425 [81%] vs. 282/425 [66%]) for the detection of injury to the anterior cruciate ligament (all parameters, p < .001). For injury to the posterior cruciate ligament, diagnostic accuracy increased for complete tears (p < .001). Color-coded collagen reconstructions achieved superior diagnostic confidence, image quality, and noise scores compared to grayscale CT (all parameters, p < .001) and showed good agreement with MRI examinations.

Conclusions
DECT-derived color-coded collagen reconstructions yield substantially higher diagnostic accuracy and confidence for assessing the integrity of the cruciate ligaments compared to standard grayscale CT in patients with acute trauma.

Key Points
• Color-coded collagen reconstructions derived from dual-energy CT yield substantially higher diagnostic accuracy and confidence for the assessment of the cruciate ligaments compared to standard grayscale CT in patients with acute trauma.
• Color-coded collagen reconstructions demonstrate good agreement with MRI for the assessment cruciate ligament injury.
• Dual-energy CT may serve as a readily available screening approach for patients with acute trauma to the knee when injury to the cruciate ligaments is suspected.
Shadow Ratio of Hypergraphs with Bounded Degree
Authors: Jung Attila 
Published: April 2023

AbstractWe study the size of the shadow of k-uniform hypergraphs with bounded degree. Lower bounds on the ratio of the size of the shadow and the size of the hypergraph are given as a function of the degree bound and k. We show that cliques are extremal for a long range of degree bounds, but not for every bound. We give a general, but not sharp lower bound on the shadow ratio and show, that sometimes we can get extremal hypergraphs by deleting disjoint maximal matchings from a clique .
Parameterization and Explicit Modeling of Cloud Microphysics: Approaches, Challenges, and Future Directions
Authors: Liu Yangang , Yau Man-Kong , Shima Shin-ichiro , Lu Chunsong , Chen Sisi 
Published: April 2023

AbstractCloud microphysical processes occur at the smallest end of scales among cloud-related processes and thus must be parameterized not only in large-scale global circulation models (GCMs) but also in various higher-resolution limited-area models such as cloud-resolving models (CRMs) and large-eddy simulation (LES) models. Instead of giving a comprehensive review of existing microphysical parameterizations that have been developed over the years, this study concentrates purposely on several topics that we believe are understudied but hold great potential for further advancing bulk microphysics parameterizations: multi-moment bulk microphysics parameterizations and the role of the spectral shape of hydrometeor size distributions; discrete vs “continuous” representation of hydrometeor types; turbulence-microphysics interactions including turbulent entrainment-mixing processes and stochastic condensation; theoretical foundations for the mathematical expressions used to describe hydrometeor size distributions and hydrometeor morphology; and approaches for developing bulk microphysics parameterizations. Also presented are the spectral bin scheme and particle-based scheme (especially, super-droplet method) for representing explicit microphysics. Their advantages and disadvantages are elucidated for constructing cloud models with detailed microphysics that are essential to developing processes understanding and bulk microphysics parameterizations. Particle-resolved direct numerical simulation (DNS) models are described as an emerging technique to investigate turbulence-microphysics interactions at the most fundamental level by tracking individual particles and resolving the smallest turbulent eddies in turbulent clouds. Outstanding challenges and future research directions are explored as well.
Regenerative medicine: current research and perspective in pediatric surgery
Authors: Deguchi Koichi , Zambaiti Elisa , De Coppi Paolo 
Published: April 2023

AbstractThe field of regenerative medicine, encompassing several disciplines including stem cell biology and tissue engineering, continues to advance with the accumulating research on cell manipulation technologies, gene therapy and new materials. Recent progress in preclinical and clinical studies may transcend the boundaries of regenerative medicine from laboratory research towards clinical reality. However, for the ultimate goal to construct bioengineered transplantable organs, a number of issues still need to be addressed. In particular, engineering of elaborate tissues and organs requires a fine combination of different relevant aspects; not only the repopulation of multiple cell phenotypes in an appropriate distribution but also the adjustment of the host environmental factors such as vascularisation, innervation and immunomodulation. The aim of this review article is to provide an overview of the recent discoveries and development in stem cells and tissue engineering, which are inseparably interconnected. The current status of research on tissue stem cells and bioengineering, and the possibilities for application in specific organs relevant to paediatric surgery have been specifically focused and outlined.