bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultra‐flexiblePLA‐based blends for the manufacturing of biodegradable tamper‐evident screw caps by injection molding
Authors: Barletta Massimiliano , Aversa Clizia , Puopolo Michela , Vesco Silvia 
Published: June 2020

AbstractMono‐material in the manufacturing of oil‐based plastic bottles has been so far not considered because of the poor flexibility of polyethylene terephthalate (PET). The undercuts of PET caps (i.e., the threads of the screw caps) would be torn‐off during the ejection step of the injection/compression molding processes that are commonly used to fabricate them. In this respect, the present work deals with the design and development of innovative biodegradable polyester‐based blends with high flexibility, intended for the manufacturing of screw‐cap, being this element the most critical in the implementation of the complete bottle. The blend is based on polylactic acid and it is tailored for injection molding of tamper‐evident screw plastic caps by the addition of another biodegradable polyester, that is, polybutylene adipate‐co‐terephthalate. The effect of the addition of a barrier agent, polyvinyl alcohol, on the overall behavior of the blends was also studied in the perspective of the implementation of caps featuring barrier properties against water vapor and oxygen. The same material could be, however, easily tailored for the fabrication of the bottle body and printed label to get to the mono‐material bottle. Twin‐screw corotating extrusion of the compound, injection molding of the plastic material for the fabrication of the screw caps, and evaluation of the thermophysical and mechanical properties of the screw caps are hereinafter discussed. The biodegradable polyester‐based blends are found to be suitable for injection molding of the tamper‐evident screw caps, exhibiting adequate flexibility during ejection from the mold. The screw caps can also boast appreciable mechanical strength and impact resistance as well as good thermal stability.
Improved dimensional stability of water‐blown polyurethane foam with aluminum hydroxide and magnesium hydroxide
Authors: Yi Sujin , Cho Young‐Jun , Roh Jung‐Sim 
Published: June 2020

AbstractWater is eco‐friendly and safe; thus, it used as a blowing agent in the fabrication of water‐blown polyurethane (PU) foam. However, water‐blown PU foam may experience dimensional instability due to shrinkage of the cells inside the foam. In order to reduce cell shrinkage due to the loss of CO2 gas, vacuum formation is prevented in the closed‐cell foam and the maximum reaction temperature must be raised to increase the degree of curing of the PU foam. In this study, two flame retardants, aluminum trihydrate (ATH) and magnesium dihydrate (MDH), were selected as additives to partially open the cells and increase the maximum reaction temperature. ATH and MDH were both effective for increasing the maximum foam reaction temperature and decreasing dimensional change. Notably, PU foams with 7.5 wt% ATH were the most dimensionally stable at both room temperature and high temperature. Moreover, the compressive strength and flexural strength of such foams were also improved compared to those of the foams without any additive.
Application of high‐throughput single nucleotide polymorphism genotyping for assessing the origin of Engraulis encrasicolus eggs
Authors: Catanese Gaetano , Di Capua Iole , Iriondo Mikel , Bonanno Angelo , Estonba Andone , Procaccini Gabriele 
Published: June 2020

Abstract

Single nucleotide polymorphism (SNP) markers in anchovy (Engraulis encrasicolus) egg samples were analysed to detect their origin on a small spatial scale (200 km) by assigning genotypes to adult anchovy stocks. The novelty of this work is the application of a rapid high‐throughput method for genotyping each single anchovy egg, in a single execution, using a set of 96 genome‐wide SNPs in a dynamic array system with microfluidic technology (Fluidigm 96.96).
The existence of two ecotypes in E. encrasicolus had already been identified based on SNP polymorphism in the Atlantic Ocean and in the Mediterranean Sea, showing that habitat type (offshore versus coastal/estuarine) is the most important component of genetic differentiation among populations of anchovy.
In this work, anchovy egg genotypes from areas of the Western Mediterranean were assigned to adult populations. Only two localities in which adult anchovies were sampled represented donor populations for the coastal/estuarine egg genotypes. Although some degree of mixing among the hauls could exist, the assignment of egg groups to adult populations led to distinguishing the contributions of distinct ecotypes to new wild generations. We can conclude that the high rate of egg dispersion caused by marine currents and the different degrees of local retention could explain the genetic heterogeneity observed in the adult populations, where eggs from neighbouring spawning sites tend to mix.
The results highlight that this technique represents a new and useful tool for addressing evolutionary questions, breed recognition, assignment, and connectivity assessment of individual eggs, and anchovy population dynamics, for the management of stocks.
Computed tomographic analysis of internal structures within the nasal cavities of green, loggerhead and leatherback sea turtles
Authors: Yamaguchi Yohei , Kitayama Chiyo , Tanaka Shinichi , Kondo Satomi , Miyazaki Ayano , Okamoto Kei , Yanagawa Masashi , Kondoh Daisuke 
Published: June 2020

AbstractThe morphology of the tetrapod nasal cavity has adapted to the environment in terms of olfaction and respiration. Reports indicate that the internal structure of the nasal cavity of green sea turtles is more complex than that of turtles in general, but whether or not it is similar among sea turtle species remains unknown. The present study aimed to define the internal structures of the nasal cavity of green (Chelonian mydas), loggerhead (Caretta caretta) and leatherback (Dermochelys coriacea) sea turtles using computed tomography. The nasal cavity of green and loggerhead sea turtles contained anterodorsal, anteroventral, posterodorsal diverticula and a posteroventral excavation in the middle. In contrast, the nasal cavity of leatherback sea turtles had more complicated dorsal region comprising anterodorsal and posterodorsal diverticula, and two excavations between the nostril and anterodorsal diverticulum, but no distinct structures at the ventral region. The airway in the nasal cavity was shorter and thicker in the leatherback, than in the green and loggerhead turtles. These species differences might reflect ecological variety and different evolutionary strategies.
Non‐destructive approach for studying medieval settlements destroyed by ploughing: combining aerial photography, geophysical and soil surveys
Authors: Zhurbin Igor V. , Borisov Alexander V. 
Published: June 2020

AbstractThe procedure for studying medieval settlements destroyed by ploughing is applied to one of the largest Finno‐Ugric ancient settlement sites of western Urals, Guryakar (ninth–thirteenth centuries ad). The approach implies the consistent use of a number of mutually confirming non‐destructive methods of survey: aerial photography using unmanned aerial vehicles followed by geophysical and soil surveying. Aerial photography in the visible spectrum enables the evaluation of possible settlement boundaries. The wavelet transmission of multispectral aerial photography data makes it possible to disclose the areas of the preserved cultural layer. A set of geophysical methods (resistivity survey, magnetic survey and electrical resistivity tomography) is used to verify and analyse these data. Additionally, geophysics makes it possible to identify fortifications and diverse layout objects that are not expressed by the surface topography. Follow‐up soil drilling is a way to verify the proposed reconstruction of the layout, and the study of the chemical properties of soil cores makes it possible to justify the boundaries of the residential and industrial areas of the settlement. For this purpose, in the final stage, statistical processing of the chemical properties of soil materials is carried out (principal component analysis and the k‐means algorithm classification). This approach complements the comparative analysis of diverse data and significantly increases the reliability of historical reconstruction.Interdisciplinary studies conducted at the medieval Finno‐Ugric settlement of ancient Guryakar allowed fundamentally new information to be obtained for use in historical reconstructions: this work revealed a previously unknown line of the layered fortification system, reconstructed the layout of all four structural parts of the settlement and justified diverse building areas.
The Mechanism of the Intramolecular Hydrocarbyl Metathesis within a Planar Triruthenium Cluster: Combining Core Flexibility with Hydride Mobility
Authors: Castillo Carmen E. , Algarra Andrés G. 
Published: June 2020

AbstractThe transition metal catalysed formation and cleavage of C−C bonds is of utmost importance in synthetic chemistry. While most of the existing homogeneous catalysts are mononuclear, knowledge of the behaviour of polynuclear species is much more limited. By using computational methods, here we shed light into the mechanistic details of the thermally‐induced isomerization of Cp*3Ru3(μ‐H)2(μ3‐η2‐pentyne)(μ3‐pentylidyne) (2) into Cp*3Ru3(μ‐H)2(μ3‐η2‐octyne)(μ3‐ethylidyne) (3), a process that involves the migration of a C3 fragment between the hydrocarbyl ligands and across the plane formed by the three Ru centres. Our results show this to be a complex transformation that comprises of five individual rearrangements in an A→B→A→B→A order. Each so‐called rearrangement A consists of the CH migration from the μ3‐η2‐alkyne into the μ3‐alkylidine ligand in the other side of the Ru3 plane. This process is facilitated by the cluster's ability to adopt open‐core structures in which one Ru−Ru bond is broken and a new C−C bond is formed. In contrast, rearrangements B do not involve the formation or cleavage of C−C bonds, nor do they require the opening of the cluster core. Instead, they consist of the isomerization of the μ3‐η2‐alkyne and μ3‐alkylidyne ligands on each side of the triruthenium plane into μ3‐alkylidyne and μ3‐η2‐alkyne, respectively. Such transformation implies the migration of three H atoms within the hydrocarbyl ligands, and in this case, it is aided by the cluster's ability to behave as a H reservoir. All in all, this study highlights the plasticity of these Ru3 clusters, whereby Ru−Ru, Ru−C, Ru−H, C−C, and C−H bonds are formed and broken with surprising ease.
Aqueous Flow Reactor and Vapour‐Assisted Synthesis of Aluminium Dicarboxylate Metal–Organic Frameworks with Tuneable Water Sorption Properties
Authors: Stassin Timothée , Waitschat Steve , Heidenreich Niclas , Reinsch Helge , Pluschkell Finn , Kravchenko Dmitry , Marreiros João , Stassen Ivo , van Dinter Jonas , Verbeke Rhea , Dickmann Marcel , Egger Werner , Vankelecom Ivo , De Vos Dirk , Ameloot Rob , Stock Norbert 
Published: June 2020

AbstractEnergy‐efficient indoors temperature and humidity control can be realised by using the reversible adsorption and desorption of water in porous materials. Stable microporous aluminium‐based metal–organic frameworks (MOFs) present promising water sorption properties for this goal. The development of synthesis routes that make use of available and affordable building blocks and avoid the use of organic solvents is crucial to advance this field. In this work, two scalable synthesis routes under mild reaction conditions were developed for aluminium‐based MOFs: (1) in aqueous solutions using a continuous‐flow reactor and (2) through the vapour‐assisted conversion of solid precursors. Fumaric acid, its methylated analogue mesaconic acid, as well as mixtures of the two were used as linkers to obtain polymorph materials with tuneable water sorption properties. The synthesis conditions determine the crystal structure and either the MIL‐53 or MIL‐68 type structure with square‐grid or kagome‐grid topology, respectively, is formed. Fine‐tuning resulted in new MOF materials thus far inaccessible through conventional synthesis routes. Furthermore, by varying the linker ratio, the water sorption properties can be continuously adjusted while retaining the sigmoidal isotherm shape advantageous for heat transformation and room climatisation applications.
iSwathX 2.0 for Processing DDA Spectral Libraries for DIA Data Analysis
Authors: Noor Zainab , Mohamedali Abidali , Ranganathan Shoba 
Published: June 2020

AbstractThe iSwathX web application processes and normalizes mass spectrometry−based proteomics spectral libraries generated in the data‐dependent acquisition (DDA) approach. These libraries are stored in various proteomics repositories such as PeptideAtlas and NIST, or are user‐generated and provide reference data for data‐independent acquisition (DIA) targeted data extraction and analysis. iSwathX 2.0 can efficiently normalize DDA data from different instruments, gathered at different instances, and make it compatible with specific DIA experiments. Novel functions for parallel processing of DDA libraries and DIA report files, along with various data visualizations, are available in iSwathX 2.0. The step‐by‐step protocols provided here describe how the libraries are uploaded, processed, visualized, and downloaded using various modules of the application. They also provide detailed guidelines on the use of DIA report files for data analysis and visualization. © 2020 Wiley Periodicals LLC.Basic Protocol 1: Processing, combining, and visualizing two DDA librariesBasic Protocol 2: Parallel processing and combination of multiple DDA librariesBasic Protocol 3: Downstream processing, comparison, and visualization of DIA report files
Pruning SMAC search space based on key hyperparameters
Authors: Li Hui , Liang Qingqing , Chen Mei , Dai Zhenyu , Li Huanjun , Zhu Ming 
Published: June 2020

SummaryMachine learning (ML) has been widely applied in many areas in recent decades. However, because of its inherent complexity and characteristics, the efficiency and effectiveness of ML algorithm often to be heavily relies on the technical experts' experience and expertise which play a crucial role to optimize hyperparameters of algorithms. Generally, the procedure tuning the exposed hyperparameters of ML algorithm to achieve better performance is called Hyperparameters Optimization. Traditional hyperparameters optimization methods are manually exhaustive search, which is unavailable for high dimensional search spaces and large datasets. Recent automated sequential model‐based optimization led to substantial improvements for this problem, whose core idea is fitting a regression model to describe the importance and dependence of algorithm's performance on certain given hyperparameter setting. Sequential model‐based algorithm configuration (SMAC) is a the‐state‐of‐art approach, which is specified by four components, Initialize, FitModel, SelectConfigurations, and Intensify. In this article, we propose to add a pruning procedure into SMAC approach, it quantifies the importance of hyperparameters by analyzing the performance of a list of promising configurations and reduces search space by discarding noncritical and bad key hyperparameters. To investigate the impact of pruning for model's performance, we conducted experiments on the configuration space constructed by Auto‐Sklearn and compared the effect of run time and pruning ratio with our algorithm. The experiments results verified that, our method made the configuration selected by SMAC more stable and achieved better performance.
Urchin‐Like Cobalt‐Copper (Hydr)oxides as an Efficient Water Oxidation Electrocatalyst
Authors: Ye Qilun , Hou Xiyan , Lee Husileng , Liu Hongzhen , Lu Liangjie , Wu Xiujuan , Sun Licheng 
Published: June 2020

AbstractThe development of eﬃcient and low‐cost oxygen evolution reaction (OER) catalysts is essential for the generation of clean hydrogen energy from water splitting. Herein, a novel hierarchical urchin‐like cobalt‐copper (hydr)oxide in situ grown on copper foam (CoCuOxHy(S)/CF) was synthesized through the electrochemical transformation of cobalt‐copper sulfides (Co9S8‐Cu1.81S) via anodization process. This CoCuOxHy(S)/CF anode exhibited a low overpotential (η) of 274 mV at a current density of 100 mA cm−2 with a robust durability over a period of 40 h when operated at 10 mA cm−2. Further investigations imply that the unique nanowires aggregated urchin‐like structure of CoCuOxHy(S) derived from the in situ anion exchange process could facilitate the exposure of active sites and accelerate electron transfer. More importantly, the incorporation of copper resulted in an electronic delocalization around the cobalt species, which contributed to reach a high‐valent catalytically active cobalt species and further improved the OER performance.
Occurrence of 2nmicrospore production in diploid interspecific hybrids between the wild parental species of peanut (Arachis hypogaeaL., Leguminosae) and its relevance in the genetic origin of the cultigen
Authors: García A. V. , Ortiz A. M. , Silvestri M. C. , Custodio A. R. , Moretzsohn M. C. , Lavia G. I. 
Published: June 2020

AbstractUnreduced (2n) gametes are the driving force that leads to polyploidization of plants in nature and an important tool for ploidy breeding. Peanut (Arachis hypogaeaL., Leguminosae) seems most likely to have originated by sexual polyploidization through interspecific hybridization between the wild diploid relatives—A. duranensisKrapov. & W.C. Greg. andA. ipaënsisKrapov. & W.C. Greg—and subsequent binding of the unreduced gametes in the hybrid. Therefore, aiming to contribute to understanding the event of polyploid origin of this important crop, we made diploid hybrids betweenA. duranensisandA. ipaënsisand then investigated the production of unreduced gametes in the hybrids by analyzing the size range of pollen, the constitution of the sporads, and the microsporogenesis process. The meiotic abnormalities found, such as persistent bridges, tripolar spindles, and cytomixis processes, would lead to the formation of restitution nuclei in both the first and second meiotic division. These failures in the regularity of meiosis lead to the formation of dyads and triads, and consequently to 2npollen grains. These findings constitute the first evidence of the formation of unreduced gametes in intergenomic hybrids obtained between the wild progenitors ofA. hypogaeaand enable us to propose a model of origin of the crop through sexual polyploidization.
Fluorescence and Light Scatter Calibration Allow Comparisons of Small Particle Data in Standard Units across Different Flow Cytometry Platforms and Detector Settings
Authors: Welsh Joshua A. , Jones Jennifer C. , Tang Vera A. 
Published: June 2020

AbstractFlow cytometers have been utilized for the analysis of submicron‐sized particles since the late 1970s. Initially, virus analyses preceded extracellular vesicle (EV), which began in the 1990s. Despite decades of documented use, the lack of standardization in data reporting has resulted in a growing body of literature that cannot be easily interpreted, validated, or reproduced. This has made it difficult for objective assessments of both assays and instruments, in‐turn leading to significant hindrances in scientific progress, specifically in the study of EVs, where the phenotypic analysis of these submicron‐sized vesicles is becoming common‐place in every biomedical field. Methods for fluorescence and light scatter standardization are well established and the reagents to perform these analyses are commercially available. However, fluorescence and light scatter calibration are not widely adopted by the small particle community as methods to standardize flow cytometry (FCM) data. In this proof‐of‐concept study carried out as a resource for use at the CYTO2019 workshop, we demonstrate for the first‐time simultaneous fluorescence and light scatter calibration of small particle data to show the ease and feasibility of this method for standardized FCM data reporting. This data was acquired using standard configuration commercial flow cytometers, with commercially available materials, published methods, and freely available software tools. We show that application of light scatter, fluorescence, and concentration calibration can result in highly concordant data between FCM platforms independent of instrument collection angle, gain/voltage settings, and flow rate; thus, providing a means of cross comparison in standard units. © 2020 International Society for Advancement of Cytometry
Qualitative threshold method validation and uncertainty evaluation: A theoretical framework and application to a 40 analytes liquid chromatography–tandem mass spectrometry method
Authors: Camirand Lemyre Félix , Desharnais Brigitte , Laquerre Julie , Morel Marc‐André , Côté Cynthia , Mireault Pascal , Skinner Cameron D. 
Published: June 2020

AbstractQualitative methods hold an important place in drug testing, filling central needs in screening and analyses, among others, linked to per se legislation. Nevertheless, the bioanalytical method validation guidelines do not discuss this type of method or describe method validation procedures ill‐adapted to qualitative methods. The output of qualitative methods are typically categorical, binary results, such as presence/absence or above cut‐off/below cut‐off. As the goal of any method validation is to demonstrate fitness for use under production conditions, qualitative validation guidelines should evaluate performance based on discrete, binary results instead of the continuous measurements obtained from the instrument (e.g. area).A tentative validation guideline for threshold qualitative methods was developed by in silico modelling of measurements and derived binary results. This preliminary guideline was applied to a liquid chromatography–tandem mass spectrometry method for 40 analytes, each with a defined threshold concentration. Validation parameters calculated from the analysis of 30 samples spiked above and below the threshold concentration (false negative rate, false positive rate, selectivity rate, sensitivity rate and reliability rate) showed a surprisingly high failure rate. Overall, 13 out of the 40 analytes were not considered validated. A subsequent examination found that this was attributable to an appreciable shift in the standard deviation of the area ratio on a day‐to‐day basis, a previously undescribed and unaccounted‐for behaviour in the qualitative threshold method validation literature. Consequently, the developed guideline was modified and used to validate a qualitative threshold method, based on the binary results for performance evaluation and incorporating measurement uncertainty.