bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimization of mesh generation for geometric accuracy, robustness, and efficiency of biomechanical‐model‐based deformable image registration
Authors: He Yulun , Anderson Brian M. , Cazoulat Guillaume , Rigaud Bastien , Almodovar‐Abreu Lusmeralis , Pollard‐Larkin Julianne , Balter Peter , Liao Zhongxing , Mohan Radhe , Odisio Bruno , Svensson Stina , Brock Kristy K. 
Published: August 2022

AbstractBackgroundSuccessful generation of biomechanical‐model‐based deformable image registration (BM‐DIR) relies on user‐defined parameters that dictate surface mesh quality. The trial‐and‐error process to determine the optimal parameters can be labor‐intensive and hinder DIR efficiency and clinical workflow.PurposeTo identify optimal parameters in surface mesh generation as boundary conditions for a BM‐DIR in longitudinal liver and lung CT images to facilitate streamlined image registration processes.MethodsContrast‐enhanced CT images of 29 colorectal liver cancer patients and end‐exhale four‐dimensional CT images of 26 locally advanced non‐small cell lung cancer patients were collected. Different combinations of parameters that determine the triangle mesh quality (voxel side length and triangle edge length) were investigated. The quality of DIRs generated using these parameters was evaluated with metrics for geometric accuracy, robustness, and efficiency. Metrics for geometric accuracy included target registration error (TRE) of internal vessel bifurcations, dice similar coefficient (DSC), mean distance to agreement (MDA), Hausdorff distance (HD) for organ contours, and number of vertices in the triangle mesh. American Association of Physicists in Medicine Task Group 132 was used to ensure parameters met TRE, DSC, MDA recommendations before the comparison among the parameters. Robustness was evaluated as the success rate of DIR generation, and efficiency was evaluated as the total time to generate boundary conditions and compute finite element analysis.ResultsVoxel side length of 0.2 cm and triangle edge length of 3 were found to be the optimal parameters for both liver and lung, with success rate of 1.00 and 0.98 and average DIR computation time of 100 and 143 s, respectively. For this combination, the average TRE, DSC, MDA, and HD were 0.38–0.40, 0.96–0.97, 0.09–0.12, and 0.87–1.17 mm, respectively.ConclusionThe optimal parameters were found for the analyzed patients. The decision‐making process described in this study serves as a recommendation for BM‐DIR algorithms to be used for liver and lung. These parameters can facilitate consistence in the evaluation of published studies and more widespread utilization of BM‐DIR in clinical practice.
Technology‐based innovative healthcare solutions for improving maternal and child health outcomes in low‐ and middle‐income countries: A network meta‐analysis protocol
Authors: Rahman Md. Obaidur , Yamaji Noyuri , Sasayama Kiriko , Yoneoka Daisuke , Ota Erika 
Published: August 2022

AbstractAimThe aims of the study were to synthesize the role of technology‐based healthcare interventions (TBIs) and to identify the most effective interventions for the best functional maternal and child health (MCH) outcomes among low‐risk pregnant women in low‐ and middle‐income countries (LMICs).DesignA systematic review and network meta‐analysis (NMA).MethodsWe will perform a comprehensive search in electronic databases and other resources to identify relevant randomized controlled trials. Two reviewers will independently perform study selection, data extraction and quality assessment. Our primary outcomes include proportion of recommended antenatal care visits, skilled delivery care, postnatal care visits and exclusive breastfeeding practices. We will use pairwise random‐effects meta‐analysis and NMAs to estimate direct, indirect and relative effects using the relevant intervention classifications for each outcome separately. We plan to assess hierarchy of interventions, statistical inconsistency and certainty of evidence.ResultsThis review will compare the effectiveness of different form of TBIs on a comprehensive range of MCH outcomes and will provide the outcome‐specific reliable evidence of the most effective interventions on improving MCH in LMICs. The review findings will guide researchers, stakeholders or policymakers on the potential use of TBIs in the given contexts that could achieve the best functional MCH outcomes in LMICs.
Academic burnout in nursing students: An explanatory sequential design
Authors: Ghods Ali Asghar , Ebadi Abbas , Sharif Nia Hamid , Allen Kelly‐Ann , Ali‐Abadi Tayyebeh 
Published: August 2022

AbstractAimDespite the harmful effects of burnout among many nursing students, academic burnout is poorly understood. This study was conducted to better explain the concept of burnout in nursing students.DesignAn explanatory sequential mixed‐method design was used.MethodsIn the quantitative phase, the Maslach Burnout Inventory‐Student Survey was completed by 91 nursing students in eastern Iran. In the qualitative phase, individual interviews were conducted with 13 undergraduate nursing students, one nurse and one instructor. Data were analysed using the directed content analysis method.ResultsResults from an ANOVA test showed differences in burnout scores in different semesters (p = .02) that were confirmed by the qualitative data. In addition to the three dimensions of the Maslach burnout model (exhaustion, cynicism and inadequacy feeling), qualitative data from the present study indicated the presence of a fourth dimension (incompatible learning style).
U‐CIE [/juː ‘siː/]: Color encoding of high‐dimensional data
Authors: Koutrouli Mikaela , Morris John H. , Jensen Lars Juhl 
Published: August 2022

AbstractData visualization is essential to discover patterns and anomalies in large high‐dimensional datasets. New dimensionality reduction techniques have thus been developed for visualizing omics data, in particular from single‐cell studies. However, jointly showing several types of data, for example, single‐cell expression and gene networks, remains a challenge. Here, we present ‘U‐CIE, a visualization method that encodes arbitrary high‐dimensional data as colors using a combination of dimensionality reduction and the CIELAB color space to retain the original structure to the extent possible. U‐CIE first uses UMAP to reduce high‐dimensional data to three dimensions, partially preserving distances between entities. Next, it embeds the resulting three‐dimensional representation within the CIELAB color space. This color model was designed to be perceptually uniform, meaning that the Euclidean distance between any two points should correspond to their relative perceptual difference. Therefore, the combination of UMAP and CIELAB thus results in a color encoding that captures much of the structure of the original high‐dimensional data. We illustrate its broad applicability by visualizing single‐cell data on a protein network and metagenomic data on a world map and on scatter plots.
Compendium of proteins containing segments that exhibit zero‐tolerance to amino acid variation in humans
Authors: Sanders Adam L. , Hermanson Jake N. , Samuels David C. , Plate Lars , Sanders Charles R. 
Published: August 2022

AbstractGenetic missense tolerance ratio (MTR) analysis systematically evaluates all possible segments in a given protein‐encoding transcript found in the human population. This method scores each segment for the number of observed missense variants versus the number of silent mutations in that same segment. An MTR score of 0 indicates that no missense mutations are observed within a given segment. This is indicative of evolutionary purifying selection, which excludes mutations in that segment from the general human population. Here, we conducted MTR analysis on each of the roughly 20,000 protein‐encoding human genes. It was seen that there are 257 genes with at least one 31‐residue encoding segment with MTR = 0 (1.3% of all human genes). The proteins encoded by these 257 genes were tabulated along with information regarding the sequence location of each intolerant segment, the likely function of the protein, and so forth. The most functionally‐enriched family among these proteins is a collection of several dozen proteins that are directly involved in RNA splicing. Some of the other proteins with zero‐tolerance segments have thus far escaped significant characterization. Indeed, while a number of these proteins have previously been genetically linked to human disorders, many have not. We hypothesize that this compendium of human proteins with zero‐tolerance segments can be used to complement disease mutation data as a pointer to genes and proteins that are associated with interesting and underexplored human biology.
Analysis of the main source regions of moisture transport events with the new ESA CCI/CM‐SAF total column water vapour climate data record (v2)
Authors: Eiras‐Barca Jorge , Algarra Iago , Nieto Raquel , Schröder Marc , Hegglin Michaela I. , Gimeno Luis 
Published: August 2022

AbstractThis study makes use of the new total column water vapour data record (CDR‐2 (v2)), developed by the European Space Agency (ESA) in coordination with the Satellite Application Facility on Climate Monitoring (CM SAF), to analyse the adequacy of the integrated vertical water vapour column (IWV) data provided by the European Centre for Medium‐Range Weather Forecasts (ECMWF) ERA5 and ERA‐Interim reanalyses in regions of critical interest for moisture transport mechanisms. This information is critical for the initialization of moisture transport models—both Eulerian and Lagrangian—used to study the main mechanisms and predict the future evolution of moisture transport events. In particular, almost 40,000 atmospheric river (AR) and nocturnal low‐level jet (NLLJ) events identified on a global scale between 2002 and 2017 have been used to study the variability between the cited reanalyses and CDR‐2, in terms of both bias in the observed values of IWV during each particular event and daily temporal correlation fields. Although some notable discrepancies are reported in the main tropical rainforest regions, it is observed that, in regions of high interest for both ARs and NLLJs, the degree of agreement between the reanalyses and CDR‐2 is high. The bias observed in the regions of interest is generally low, and the temporal correlation in the IWV fields is above 0.8 in most areas. ERA5 appears to show slightly better performance than ERA‐Interim when resolving the moisture column, and both show greater similarity to CDR‐2 in the midlatitudes compared with tropical regions. The probability density functions constructed on an event‐to‐event basis reinforce these ideas. We conclude that the evaluations presented here using CDR‐2 serve to strengthen avaliable evidence that the ECMWF reanalyses can safely be used in the initializations of Lagrangian dispersion models and Eulerian moisture tracer simulations—commonly used for the analysis of main advection mechanisms—in the vast majority of regions critical to the study of ARs and LLJs. They can also safely be used for the detection of moisture source–sink regions in the study of the global hydrological cycle in these regions.
Weaving Hyper‐crosslinked Polymer from Alkaline Lignin for Adsorption of Organic Dyes from Wastewater
Authors: Tang Cheng , Hu Tao , Li Yanglei , Hu Xiaoli , Song Kunpeng 
Published: August 2022

AbstractLignin is widely found in nature and attracts increasing concern as the renewable carbon material. In this work, hyper‐crosslinked lignin was successfully prepared and applied for adsorbing dyes such as rhodamine B (RhB), methylene blue (MB) and Congo Red (CR) in wastewater. The characteristics of the alkaline lignin and hyper‐crosslinked lignin were identified by Fourier transform infrared spectroscopy (FT‐IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and N2 adsorption and desorption measurements. The results show that the hyper‐crosslinked lignin is composed of uniform and porous nanoparticles with smaller size as compared to the sheet and‐ block structure of alkaline lignin. The specific surface area and pore structure of the hyper‐crosslinked lignin have been greatly optimized, while retaining the functional groups on the surface of the alkali lignin. The Brunner‐Emmet‐Teller (BET) surface area of the hyper‐crosslinked lignin reaches up to 402.8 m2 ⋅ g−1, and the adsorption capacity of RhB is up to 1332 mg ⋅ g−1. The isotherm model and thermodynamic results indicate that the adsorption process conforms to the Langmuir model, mainly showing a single‐layer spontaneous chemical endothermic process. In addition, HCP−L showed good selective adsorption performance for cationic dyes with the adsorption amounts of 228 mg ⋅ g−1 for MB, while that of the anionic dye CR (89 mg ⋅ g−1) was comparatively low. The adsorption mechanism was hydrogen bonding and π‐π stacking in addition to the electrostatic effect caused by the negative charge on the surface of HCP−L.
Application of Impregnated Resins for the Recovery of Actinides from Alpha Contaminated Solid Waste
Authors: Pahan Sumit , Sengupta Arijit , Ananthanarayanan Arvind , Vincent Tessy , Sugilal G. , Kaushik Chetan P. 
Published: August 2022

AbstractAn extraction chromatographic separation scheme has been developed using impregnated resin for the processing of actual plutonium contaminated solid analytical assorted waste. The effluent obtained on anion exchange chromatography during plutonium purification step was processed by tri‐n‐butyl phosphate (TBP) and tetra 2‐ethylhexyl diglycolamide (T2EHDGA) augmented XAD‐4 resin to remove uranium and americium, respectively, while Ag ion was electrochemically separated further. The augmentation of TBP and T2EHDGA functionalities on XAD‐4 have been evidenced by FTIR spectroscopy, TG and DSC analysis. The modification in surface morphology on augmentation has been investigated by SEM, while elemental mapping and EDS heteroatom analysis indicated the successful functionalization/impregnation of the resin. In case of U removal by TBP augmented XAD‐4 resin, starting from 3 gL−1 feed in 7.2 M HNO3, a maximum of 93 % U was found to be loaded on the column, which can quantitatively be back extracted by 0.01 M HNO3. Despite ∼10 % reduction in loading capacity during the 3rd consecutive cycle, the efficacy of this column chromatographic separation of U has been demonstrated successfully. The raffinate of this step was used as feed for Am3+ separation using T2EHDGA‐XAD‐4. A maximum of 98 % loading and almost quantitative elution have been observed during this step and the performance recyclability has been checked for three consecutive cycles. The loading of U and Eu (Am analogue) has been evidenced by elemental mapping and energy‐dispersive X‐ray spectroscopy (EDS)analyses of loaded resin.
Fabrication of an Environmentally Friendly 2D MXene‐Avermectin Hybrid Nanopesticide for Use Against Spodoptera Frugiperda
Authors: Zhang Zhaocong , Shi Yangtian , Ding Chengwen , Lv Yutong , Wang Meiting , Sun Yuan , Sun Tiedong 
Published: August 2022

AbstractMXenes family are novel two‐dimensional (2D) materials that have been widely used in many fields such as cancer therapy, imaging, sensing, and electrochemistry due to their excellent photothermal and loading properties. Herein, A Ti3C2 nanosheets (MXene) as a carrier for insecticide was reported. Nanocomposites were formulated by adsorbing the most widely used insecticidal substance, avermectin, onto MXene (MXene@AV). It takes full advantage of the loading and photothermal capabilities of MXene and the broad‐spectrum insecticidal properties of avermectin to provide a more efficient and environmentally friendly alternative. The results show that MXene@AV exhibits excellent stability and photothermal capability, with a photothermal conversion efficiency as high as 39.84 %. The combination of photothermal contact killing and poisoning enables it to show strong lethality and sustained efficacy against the common pest Spodoptera frugiperda. Therefore, MXene@AV, an insecticide with MXene as a carrier, has the potential to be applied to agricultural pest control.
A Review of Computational Methods in Predicting hERG Channel Blockers
Authors: Shan Mengyi , Jiang Chen , Qin Lu‐Ping , Cheng Gang 
Published: August 2022

AbstractInhibition of the human ether‐à‐go‐go‐related gene (hERG) ion channel may lead to prolonged QT interval and even fatal ventricular arrhythmia. Therefore, evaluating the hERG liability has become a mandatory requirement for drug development and drug safety process. However, standard experimental assays are complex, expensive and time‐consuming. Various in silico tools have been developed to identify potential hERG blockers and reduce in advance the risk of cardiotoxicity‐related attritions during the early drug discovery phase. In this review, we first outlined the structure and gating properties of the hERG channel briefly. Then analyzed the advantages of computational technology, and comprehensively summarized the in silico methods of hERG‐related cardiotoxicity, including ligand‐based and structure‐based methods. Additionally, the current predictive models in prediction of hERG blockage were emphatically reviewed. Finally, issues involved in the current computational methods, as well as the future direction for developing reliable models of hERG channel blockers, are discussed.
Novel Curcumin Mimics: Design, Synthesis, Biological Properties and Computational Studies of Piperidone‐Piperazine Conjugates
Authors: Youssef M. Adel , Panda Siva S. , Aboshouk Dalia R. , Said Mona F. , El Taweel Ahmed , GabAllah Mohamed , Fayad Walid , Soliman Ahmed F. , Mostafa Ahmed , Fawzy Nehmedo G. , Girgis Adel S. 
Published: August 2022

Abstract3,5‐Di[(E)‐arylidene]‐1‐[3‐(4‐methylpiperazin‐1‐yl)alkyl]piperidin‐4‐ones 7 a−k were synthesized through dehydrohalogenation of 1‐(2‐chloroacyl)piperidin‐4‐ones 5 a−k with N‐methylpiperazine (6). High antiproliferation potencies were observed by most of the synthesized agents against both HCT116 (colon) and MCF7 (breast) cancer cell lines relative to the standard references (sunitinib and 5‐fluorouracil). The synthesized agents are of dual activity against topoisomerases I and IIα however, with higher efficacy against topoisomerase IIα rather than topoisomerase I. Flow‐cytometry cell cycle studies support the observed antiproliferation properties and exhibit the capability of 1‐(2‐chloroacetyl)‐3,5‐bis[(E)‐4‐chlorobenzylidene]piperidin‐4‐one (5 e) and 3,5‐bis[(E)‐4‐bromobenzylidene]‐1‐[2‐(4‐methylpiperazin‐1‐yl)acetyl]piperidin‐4‐one (7 g) to arrest the HCT116 cell cycle progression at G1/S and G1 phases, respectively. Noticeable anti‐SARS‐CoV‐2 properties were observed by many synthesized agents. 3,5‐Bis[(E)‐4‐chlorobenzylidene]‐1‐[3‐(4‐methylpiperazin‐1‐yl)propanoyl]piperidin‐4‐one (7 f) is the most effective anti‐SARS‐CoV‐2 synthesized with high SI. Applicability of the highly effective candidates synthesized as antitumor and anti‐SARS‐CoV‐2 is due to the safety observations against normal (RPE1 and VERO‐E6) cells. QSAR models validated internally and externally, support their possibility for optimizing more hits/leads.
A New Spiropyran Hydrazone as an Unusual Colorimetric Sensor for Detection of Cu2+ and Cr3+ Based on Aggregation‐Induced Enhancement Effects in Aqueous Solvent Mixtures
Authors: Li Zongchen , Xiong Hui , Liang Hua , Chen Wenting , Tian Qiang , Yan Minhao , Su Haifeng , Royal Guy 
Published: August 2022

AbstractThough many improvements have been made on fluorescence probes for respective detection of Cu2+ and Cr3+, multiply detect of the ions by a simple colorimetric way in high water content solution sensors remains scarce. In this work, a novel spiropyran hydrazone, [(E)‐(2‐hydroxy‐1‐naphthyl)methylidene][(E)‐[1′,3′,3′‐trimethyl‐6‐(2‐methylprop −2‐yl)‐1′,3′‐dihydrospiro[chromene‐2,2′‐indole]‐8‐yl]methylidene]hydrazine (NA‐SP), which shows aggregation‐induced enhancement effects (AIEE) phenomena in EtOH (ethanol)/H2O and THF (tetrahydrofuran)/H2O media, has been developed. It can detect Cu2+ colorimetrically having a sensitivity of 105 nM in EtOH/H2O (40/60, v/v) with an unusual specific tandem‐response to Cr3+ at a detection limit of 151 nM in addition with a wide pH range of 4–10. Mechanism investigations by HRMS, 1H NMR and UV‐Vis spectroscopy have verified that the response to Cr3+ is based on the cooperative effect between NA‐SP and Cu2+, instead of the replacement of Cu2+ by Cr3+. Moreover, NA‐SP shows a robust AIEE‐caused recognition for Cu2+ in THF/H2O (20/80, v/v) with a detection limit of 16.5 nM. Real water tests indicate that the probe has potential detection application for Cu2+ in environmental situations. This contribution presents a new spiropyran sensor for the detection of Cu2+ and Cr3+ in aqueous solutions through an uncommonly colorimetric way.
Facile and Sensitive Method for Detecting Bisphenol A UsingUbiquitous pH Meters
Authors: Xu Zhou , Yu ShaoYi , Mo WeiXi , Tang Yao , Cheng Yunhui , Ding Li , Chen Maolong , Peng Shuang 
Published: August 2022

AbstractA sensitive and rapid method for the detection of bisphenol A (BPA) using general pH meters or pH paper was developed. Aptamer‐functionalized Fe3O4 magnetic nanoparticles (MNPs) were synthesized to capture BPA in samples, and gold NPs (AuNPs) were modified with acetylcholinesterase and the complementary strand of BPA aptamer. The specific detection of BPA was realized using the combination of BPA‐responsive, aptamer‐cross‐linked MNPs‐AuNPs complex. As the acetylcholine was hydrolyzed to choline and acetic acid, the pH of the solution decreased. The resulting pH change could be measured in real‐time using a pH meter. The sensitivity of detection of this assay was 5 pg/mL with the range of 0.01 to 1000 ng/mL. The pH change could be determined with the naked eye from the color change of a pH indicator strip. This sensor technology is promising and reliable for rapid, sensitive, and on‐site monitoring of BPA in water samples.
Druckschachtpanzerungen mit mehreren Schubringen – Realitätsnahe Schubringkräfte aus Zwangsbeanspruchungen und Vergleich mit Bemessungsmodell
Authors: Unterweger Harald , Ecker Alexander 
Published: August 2022

AbstractSchubringe von Druckschachtpanzerungen dienen zur Längskraftübertragung zwischen Rohr und Gebirge und werden primär aus der Deckeldruckkraft beansprucht. In diesem Aufsatz wird auf das realitätsnahe Tragverhalten von mehreren hintereinanderliegenden Schubringen bei zusätzlichen Zwangsbeanspruchungen aus Innendruck und Temperatur für repräsentative Ausführungsfälle eingegangen, wobei auch die Rohrreibung mit einbezogen wird. Dazu dienen numerische FE‐Berechnungen. Des Weiteren wird ein 1D‐Stabmodell (Bemessungsmodell) dargestellt, das von den Autoren entwickelt wurde. Die Ergebnisse am 1D‐Stabmodell werden jenen am FE‐Modell gegenübergestellt. Es kann gezeigt werden, dass auch für maßgebende Einwirkungskombinationen mit dem 1D‐Stabmodell ausreichend zutreffende Schubringkräfte erhalten werden. Die FE‐Berechnungen zeigen auch, dass Einwirkungskombinationen nur zutreffend als Gesamtbelastung analysiert werden können, eine Superposition von Einzellastfallergebnissen führt hier mitunter zu groben Fehleinschätzungen.