bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium Catalyst Recycling for Heck‐Cassar‐Sonogashira Cross‐Coupling Reactions in Green Solvent/Base Blend
Authors: Fantoni Tommaso , Bernardoni Sara , Mattellone Alexia , Martelli Giulia , Ferrazzano Lucia , Cantelmi Paolo , Corbisiero Dario , Tolomelli Alessandra , Cabri Walter , Vacondio Federica , Ferlenghi Francesca , Mor Marco , Ricci Antonio 
Published: April 2021

AbstractThe identification of a green, versatile, user‐friendly, and efficient methodology is necessary to facilitate the use of Heck‐Cassar‐Sonogashira (HCS) cross‐coupling reaction in drug discovery and industrial production in the pharmaceutical segment. The Heck‐Cassar and Sonogashira protocols, using N‐hydroxyethylpyrrolidone (HEP)/water/N,N,N′,N′‐tetramethyl guanidine (TMG) as green solvent/base mixture and sulfonated phosphine ligands, allowed to recycle the catalyst, always guaranteeing high yields and fast conversion under mild conditions, with aryl iodides, bromides, and triflates. No catalyst leakage or metal contamination of the final product were observed during the HCS recycling. To our knowledge, a turnover number (TON) up to 2375, a turnover frequency (TOF) of 158 h−1, and a process mass intensity (PMI) around 7 that decreased around 3 after solvent, base, and palladium recovery, represent one of the best results to date using a sustainable protocol. The Heck‐Cassar protocol using sSPhos was successfully applied to the telescoped synthesis of Erlotinib (TON: 1380; TOF: 46 h−1).
Research and implementation of digital 3D panoramic visual communication technology based on virtual reality
Authors: Zhang Guangchao , Kou Xinyue 
Published: April 2021

SummaryBased on the digital three‐dimensional (3D) panoramic technology of sequence pictures, the static pictures are stitched together to form a 360‐degree panoramic image, which can truly reproduce the real scene. Panoramic images are widely used, making this technology a hot spot in the research of virtual reality technology. This paper completes the research content of the application value of the digital 3D panorama, the key technology of digital 3D panorama technology, and the design and display of 3D panorama campus through practical application. This article comprehensively introduces the hardware equipment of panoramic technology and the technical requirements of panoramic image acquisition in the field of practical application, and combines the actual cases to systematically produce panoramic image stitching, panoramic image generation, and virtual roaming campus construction; 3D panoramic technology is a brand‐new form of viewing images, discussing and studying the artistic expression of 3D panoramic images, and researching its innovative application in visual communication art. In this paper, the chromaticity calibration of digital camera and projection equipment is used to eliminate the coupling difference between the two; then estimate the spectral reflectance of the three‐color channel of the object and separate the specular reflection component and the diffuse reflection component, at the same time correct the color and specular reflectance of the object itself, and analyze the influence of reflection on the color of the projection light source. This article describes the design ideas and key technologies of the school's 3D panoramic walkthrough system, describes in detail the process of the system from demand analysis to system design and finally realization, and focuses on the production method of panoramic images and the main functional modules in the walkthrough system. At the end, the system was tested, and the existing problems were analyzed, and solutions were provided. Research shows that when the roaming system has 3,000 concurrent users, it can read a single scene for about 3 s on average.
Effects of sediment grain size and channel slope on the stability of river bifurcations
Authors: Iwantoro Arya P. , van der Vegt Maarten , Kleinhans Maarten G. 
Published: April 2021

AbstractChannel bifurcations can be found in river network systems from high gradient gravel‐bed rivers to fine‐grained low gradient deltas. In these systems, bifurcations often evolve asymmetrically such that one downstream channel silts up and the other deepens and, in most cases, they eventually avulse. Past analytical and numerical studies showed that symmetric bifurcations are unstable in high and low Shields stress conditions resulting in asymmetric bifurcations and avulsion, while they can be stable in the mid‐Shields range, but this range is smaller for larger width‐to‐depth ratio. Here, using a one‐dimensional (1D) numerical model, we show that effects of sediment grain size and of channel slope are much larger than expected for low‐gradient systems when a sediment transport relation is used that separates between bedload and suspended load transport. We found that the range of Shields stress conditions with unstable symmetric bifurcations expanded for lower channel slopes and for finer sediment. In high sediment mobility, suspended load increasingly dominates the sediment transport, which increases the sediment transport nonlinearity and lowers the relative influence of the stabilizing transverse bedslope‐driven flux. Contrary to previous works, we found another stable symmetric solution in high Shields stress, but this only occurs in the systems with small width‐to‐depth ratio. This indicates that suspended load‐dominated bifurcations of lowland rivers are more likely to develop into highly asymmetric channels than previously thought. This explains the tendency of channel avulsion observed in many systems.
New calculation method for exact length weighting factor in cone‐beam computed tomography
Authors: Wang Xianchao , Jiang Chengshun 
Published: April 2021

AbstractIn iterative reconstruction algorithms, it is very important to calculate the weighting factor quickly and accurately, which directly affects the reconstruction efficiency and accuracy of computed tomography images. In this paper, a new calculation method for accurate length weighting factor is developed. Firstly, the ray equation is determined according to the coordinates of the source and the ray's projection. Second, the intersections of the ray and the equidistant parallel planes along three coordinate axes are calculated, and the points intersecting with the reconstructed object are put into a set. Finally, when the X‐axis coordinates of all points in the set are different, the points are arranged according to their X‐axis coordinates; when the X‐axis coordinates of all points are same, the points are arranged according to their Y‐axis coordinates. The sorted point set is the intersections that the ray traverses the reconstructed object in sequence. The index and weighting factor of all voxels that the ray passes through can be determined by the sorted point set. Compared with the classical Siddon's method, it avoids the step of describing the intersections with parameters, and its calculation speed is increased by nearly 20%. The numerical simulations and real data reconstruction experiments are conducted to validate the proposed calculation method of exact length weighting factor.
LSLOpt: An open‐source implementation of the step‐length controlled LSL‐BFGS algorithm
Authors: Flachsenberg Florian , Rarey Matthias 
Published: April 2021

AbstractNumerical optimization is a common technique in various areas of computational chemistry, molecular modeling and drug design. It is a key element of 3D techniques, for example, the optimization of protein–ligand poses and small‐molecule conformers. Here, often the BFGS algorithm or variants thereof are used. However, the BFGS algorithm tends to make unreasonable large changes to the optimized system under certain circumstances. This behavior has been known for a long time and different solutions have been suggested. Recently, we have analyzed the optimization behavior of our novel JAMDA scoring function in detail and proposed the limited step length (LSL)‐BFGS algorithm as a new solution to the problem of excessively large steps during optimization. The LSL‐BFGS algorithm allows to control the step sizes during optimization. Its unique feature is the inclusion of arbitrary domain knowledge into the selection of the step sizes. Here, we introduce the open‐source LSLOpt C++ library that implements this LSL‐BFGS algorithm and demonstrate its usage.
Nanoalgosomes: Introducing extracellular vesicles produced by microalgae
Authors: Adamo Giorgia , Fierli David , Romancino Daniele P. , Picciotto Sabrina , Barone Maria E. , Aranyos Anita , Božič Darja , Morsbach Svenja , Raccosta Samuele , Stanly Christopher , Paganini Carolina , Gai Meiyu , Cusimano Antonella , Martorana Vincenzo , Noto Rosina , Carrotta Rita , Librizzi Fabio , Randazzo Loredana , Parkes Rachel , Capasso Palmiero Umberto , Rao Estella , Paterna Angela , Santonicola Pamela , Iglič Ales , Corcuera Laura , Kisslinger Annamaria , Schiavi Elia Di , Liguori Giovanna L. , Landfester Katharina , Kralj‐Iglič Veronika , Arosio Paolo , Pocsfalvi Gabriella , Touzet Nicolas , Manno Mauro , Bongiovanni Antonella 
Published: April 2021

AbstractCellular, inter‐organismal and cross kingdom communication via extracellular vesicles (EVs) is intensively studied in basic science with high expectation for a large variety of bio‐technological applications. EVs intrinsically possess many attributes of a drug delivery vehicle. Beyond the implications for basic cell biology, academic and industrial interests in EVs have increased in the last few years. Microalgae constitute sustainable and renewable sources of bioactive compounds with a range of sectoral applications, including the formulation of health supplements, cosmetic products and food ingredients. Here we describe a newly discovered subtype of EVs derived from microalgae, which we named nanoalgosomes. We isolated these extracellular nano‐objects from cultures of microalgal strains, including the marine photosynthetic chlorophyte Tetraselmis chuii, using differential ultracentrifugation or tangential flow fractionation and focusing on the nanosized small EVs (sEVs). We explore different biochemical and physical properties and we show that nanoalgosomes are efficiently taken up by mammalian cell lines, confirming the cross kingdom communication potential of EVs. This is the first detailed description of such membranous nanovesicles from microalgae. With respect to EVs isolated from other organisms, nanoalgosomes present several advantages in that microalgae are a renewable and sustainable natural source, which could easily be scalable in terms of nanoalgosome production.
Association between Children’s Imaginational Overexcitability and Parent‐Reported Creative Potential: Cognitive and Affective Play Processes as Potential Mediators
Authors: Fung Wing Kai , Chung Kevin Kien Hoa , He Mavis Wu‐jing 
Published: April 2021

AbstractThis study examined the direct and indirect associations among imaginational over‐excitability, cognitive play processes, affective play processes, and parent‐reported creative potential of Hong Kong Chinese kindergarten children. Participants were 106 parents of local kindergarten children (43.4% girls, mean age = 60.1 months). Parents reported their child’s imaginational over‐excitability, cognitive play processes, affective play processes, and creative potential through a questionnaire. Results from the path model revealed that children’s imaginational over‐excitability was positively associated with their cognitive and affective play processes. Children’s parent‐reported creative potential was significantly related to their cognitive play processes but marginally related to their affective play processes. Furthermore, the relationship between imaginational over‐excitability and parent‐reported creative potential was fully mediated by children’s cognitive and affective play processes. Theoretically, the findings suggest that children’s cognitive and affective play processes may explain the association between their imaginational over‐excitability and parent‐reported creative potential. Practically speaking, the results highlight the importance of providing imaginative children with opportunities and supports to carry out imaginative pretend play so as to promote their creative potential.
Fun, Friends, and Creativity: A Social Capital Perspective
Authors: Boekhorst Janet A. , Halinski Michael , Good Jessica R.L. 
Published: April 2021

AbstractAlthough creativity research has devoted considerable effort toward identifying the antecedents of creativity, there remain important questions about how organizations can foster creativity through social processes. Drawing from social capital theory, we hypothesize a moderated mediation model that investigates the influence of employee participation in fun activities on individual creativity through workplace friendships. We further hypothesize that the strength of this positive indirect effect is weaker for managers compared with non‐managers. Our analysis of data collected from a multi‐source, three‐wave field study (n = 163 employees) reveals a positive mediation between participation in fun activities and incremental creativity (but not radical creativity) via workplace friendships. The results further support our prediction that this positive indirect effect on incremental creativity is weaker for managers compared with non‐managers. Our findings not only highlight the practical and theoretical importance of fun activities in generating novel and useful ideas, but the results also reveal that the benefits derived from fun activities (i.e., strengthened friendships, incremental creativity) are particularly salient for non‐managers.
Redetermining the cutoff point of peristomal infection scoring: Methodological research
Authors: Ayhan Hatice , Akcay Kezban , Olmez Yeter Nilgun , Simsek Cem , Abbasoglu Osman 
Published: April 2021

AbstractBackgroundPeristomal infections are a frequently encountered problem in enteral nutrition that warrants prompt diagnosis and early antimicrobial treatment. Current practice lacks a consensus on an accepted measurement tool with acknowledged validity and reliability. The Peristomal Infection Scoring System is one such tool that shows promise, yet the optimal cutoff value remains to be determined.MethodsThis methodological research was conducted with 54 adult participants to evaluate their peristomal areas in terms of infection by two nurse nutritionists and an expert physician in a simultaneous and independent manner, using peristomal infection scoring or the local signs and symptoms of infection. Performance was assessed by the receiver operating characteristic curve, interobserver reliability, and validity metrics.ResultsAccording to the expert physician's opinion, the peristomal infection rate was 9.2%. The agreement between the observers using the Peristomal Infection Scoring System was κ = 1,000, P < .001. The peristomal infection scoring area under the receiver operating characteristic curve was 0.98 (P < .001), and the best cutoff value was found to be 6 points, which correlated positively with a 0.88 coefficient (P < .001) and an accuracy of 98.1% (CI, 90.11%–99.95%).ConclusionThe Peristomal Infection Scoring System with a cutoff value of 6 points is a valid and reliable instrument to diagnose peristomal infections. It can be easily used by healthcare professionals in all settings as needed.
Fluorescent sensor based on quantum dots and nano‐porphyrin for highly sensitive and specific determination of ethyl carbamate in fermented food
Authors: Wei Liuna , Chen Hengye , Liu Rui , Wang Shuo , Liu Tingkai , Hu Zikang , Lan Wei , Yu Yongjie , She Yuanbin , Fu Haiyan 
Published: April 2021

AbstractBACKGROUNDEthyl carbamate (EC) is a potentially toxic carcinogen produced during fermentation and storage of fermented foods, and many countries have set thresholds for its content in food. Therefore, sensitive, rapid and accurate detection of EC is meaningful to ensure the quality of fermented food.RESULTSThis study introduces a CdTe quantum dots/nano‐5,10,15,20‐tetrakis (4‐methoxyphenyl)‐porphyrin (nano TPP‐OCH3) fluorescence sensor system detection of EC. The specificity of this sensing mainly relies on a photo‐induced electron transfer and electrostatic force interaction between EC and nano TPP‐OCH3. This sensor presented a linear range of 10 to 1000 μg L−1 (R2 = 0.9903) with a low detection limit of 7.14 μg L−1. Meanwhile, the recovery (91.19–101.09%) and precision [relative standard deviation (RSD) = 0.64–3.05%] of the sensor for the analysis of fermented food (yellow rice wine, soy sauce, Chinese spirits, Pu‐erh tea) samples were good and could meet the requirements of practical detection. Moreover, the detection results of fermented food (yellow rice wine, soy sauce, Chinese spirits, Pu‐erh tea) samples by this sensor are basically consistent with those of high‐performance liquid chromatography with fluorescence detector (HPLC‐FLD).CONCLUSIONThis method was expected to provide a potential platform for sensitive and accurate detection of EC in food safety monitoring, which would provide knowledge of the flavor and quality related to fermented food. © 2021 Society of Chemical Industry.
Diagnostic Accuracy of Prenatal Fetal Ultrasound to Detect Cleft Palate in High‐Risk Fetuses
Authors: Lai Guang‐ping , Weng Xun‐jin , Wang Min , Tao Zhao‐feng , Liao Feng‐hua 
Published: April 2021

ObjectivesThis systematic review and meta‐analysis investigated the accuracy of prenatal fetal ultrasound (US) to detect cleft palate during the second and third trimester (12–36 weeks) of pregnancy in high‐risk fetuses.MethodsPubmed and Embase databases were searched for studies that performed prenatal fetal US (comparator) and postnatal examination (reference standard) in fetuses at high risk for orofacial clefts. Risk of bias among included studies was assessed using the QUADAS‐2. Area under the summary receiver operating characteristic (SROC) curve and pooled sensitivity and specificity were calculated.ResultsThis meta‐analysis included 7 studies involving 663 high‐risk fetuses. The individual studies showed that prenatal fetal US accurately predicted the possibility of cleft palate in these fetuses. Pooled sensitivity was 87% (95% CI 71%–95%), pooled specificity was 98% (95%CI 90%–100%), and the area under the SROC curve was 0.98 (95% CI 0.97–0.99).ConclusionSecond and third trimester fetal US has excellent sensitivity and specificity for the detection of cleft palate in high‐risk pregnancies.
Photopolymerization of Pollen Based Biosourced Composites and Applications in 3D and 4D Printing
Authors: Zhang Yijun , Chen Hong , Liu Shaohui , Josien Ludovic , Schrodj Gautier , Simon‐Masseron Angélique , Lalevée Jacques 
Published: April 2021

AbstractPollen have the potential to be effective plant‐based biorenewable reinforcing fillers for polymers due to their chemical stability and unique micro‐ or nano‐structured surfaces. Pollen‐polymer composites can form the basis for a new class of light‐weight and sustainable materials if compatible polymer‐filler systems can be engineered through photopolymerization, but this idea is previously unexplored. The first demonstration of photopolymerization and 3D printing with the incorporation of pine pollen as filler in poly(ethylene glycol) diacrylate are presented. The filler properties affecting the related depth of cure and the mechanical, thermal, and functional properties are examined in detail. In addition, the lithography technique is applied to the photocomposites for the production of 3D patterns. 4D printing behavior is also possible through the water swelling and dehydration induced actuation of the 3D printed composites with spatial resolution features. This work is expected to provide a new way to a field for photopolymerization reactions in natural material‐resin composites and thereby to expand potential applications in 3D and 4D printing.
Binary Blends of Diblock Copolymers: An Effective Route to Novel Bicontinuous Phases
Authors: Lai Chi To , Shi An‐Chang 
Published: April 2021

AbstractThe formation of various bicontinuous phases from binary blends of linear AB diblock copolymers (DBCPs) is studied using the polymeric self‐consistent field theory. The theoretical study predicts that the double diamond and the “plumber's nightmare” phases, which are metastable for neat DBCPs, could be stabilized in block copolymers with designed dispersity, namely, binary blends composed of a gyroid‐forming DBCP and a homopolymer‐like DBCP. The spatial distribution of different monomers reveals that these two types of DBCPs are segregated such that the homopolymer‐like component is localized at the nodes to relieve the packing frustration. Simultaneously, the presence of a local segregation of the two DBCPs on the AB interface regulates the interfacial curvature. These two mechanisms could act in tandem for homopolymer‐like DBCPs with proper compositions, resulting in larger stable regions for the novel bicontinuous phases.
H∞ deconvolution filter for two‐dimensional numerical systems using orthogonal moments
Authors: Boukili Bensalem , El Mallahi Mostafa , El‐Amrani Abderrahim , Hmamed Abdelaziz , Boumhidi Ismail 
Published: April 2021

AbstractIn this article, we propose the issue of H∞ deconvolution filtering for two‐dimensional (2D) systems described by the Fornasini–Marchesini local state‐space model. The main challenge is the design of a deconvolution filter to rebuild the 2D signal so that the filter error system is asymptotically stable and preserves a guaranteed H∞ performance. To overcome this issue, we use some free matrix variables to eliminate coupling between Lyapunov matrix and system matrices to obtain sufficient conditions in linear matrix inequality form to ensure the desired stability and performance of the error systems in the first time. Moreover, we use the orthogonal moments to extract the feature vectors to generate the input system, with the minimum information with and without noise. Simulation examples are provided to show that the new design technology proposed in this article achieves better H∞ performance than the existing design methods. Finally, this work can be very helpful tools for the practitioners in telecommunication, and data scientists to aid them in deconvolution, diagnostic, and transmission.