bluuebunny/crossref_metadata_2025_split huggingface dataset:
Block‐wise Exploration of Molecular Descriptors with Multi‐block Orthogonal Component Analysis (MOCA)
Authors: Schmidt Sebastian , Schindler Michael , Eriksson Lennart 
Published: December 2021

AbstractData tables for machine learning and structure‐activity relationship modelling (QSAR) are often naturally organized in blocks of data, where multiple molecular representations or sets of descriptors form the blocks. Multi‐block Orthogonal Component Analysis (MOCA), a new analytical tool, can be used to explore such data structures in a single model, identifying principal components that are unique to a single block or joint over multiple blocks. We applied MOCA to two sets of 550 and 300 molecules and up to 9213 molecular descriptors organized in 11 blocks. The MOCA models reveal relationships between the blocks and overarching trends across the whole dataset. Based on the MOCA joint components, we propose a quantitative metric for the redundancy of blocks, useful for a priori block‐wise feature selection or evaluation of new molecular representations. The second data set includes 7 ecotoxicological study endpoints for crop protection chemicals, for which we (re‐)discovered some general trends and linked them to molecular properties. Using a single MOCA model we estimated the predictive potential of each block and the model‐ability of the target block.
A spectrum analyzer system with wide bandwidth and high frequency resolution based on chirp transform
Authors: Ru Peng‐Lei , Liu Meng‐Wei , Gong Jun‐Jie , Wang Wen , Zhu Hao‐Tian 
Published: December 2021

AbstractWith the advantages of low power consumption and high stability, chirp transform spectrometer (CTS) has become a powerful tool widely used in spectrum analysis today. In recent years, compared with other spectrum analyzers, CTS is limited by the lack of bandwidth, which severely restricts its application and development. In this article, a CTS system with a wide bandwidth is proposed. The chirp signal with 2 GHz bandwidth is generated by DAC and multiplier, and its dispersion characteristics are matched with a 1 GHz bandwidth surface acoustic wave (SAW) filter to build a spectrum analyzer with an analysis bandwidth of 1 GHz. Experimental results show that the system frequency resolution can reach up to 102 kHz, which is very close to the theoretical value (100 kHz).
The development and validation of a Patient‐Perceived Methotrexate Intolerance Scale for use in adult rheumatoid arthritis patients
Authors: Salt Elizabeth , Wiggins Amanda , Lohr Kristine , Crofford Leslie , Studts Jamie , Nowell W. Benjamin , Cappelleri Joseph C. , Rayens Mary Kay 
Published: December 2021

AbstractIntroduction/ObjectiveTo develop a scale to measure methotrexate intolerance for use in adult rheumatoid arthritis (RA) patients and to describe its psychometric properties.MethodsA three‐phase study was conducted. During Phase 1, we conducted individual interviews with RA patients (n = 14) to inform our item development process. During Phase 2, we asked for RA patients' (n = 10) feedback on item readability, clarity and the scale's ability to measure methotrexate intolerance. During Phase 3, we had patients with RA (n = 204) complete the scale to develop a final version and to describe the scale's internal validity (Cronbach’s alpha), test–retest reliability (intra‐class correlation coefficients), construct validity and discriminant validity and the ability of the scale to discriminate between past and present methotrexate users.ResultsThe newly developed, weighted scale (Patient‐Perceived Methotrexate Intolerance Scale[PPMIS]) includes four subscales:Methotrexate Benefits, Methotrexate Risks‐Side Effect Considerations, RA RisksandMethotrexate Risks‐Willingness to Take Methotrexate Despite Risks. Cronbach's alpha ranged from 0.79 to 0.94. Test–retest reliability at 2 weeks was 0.73–0.88. Construct validity was supported with significant logical relationships between subscale scores and the existing methotrexate intolerance scale and past/present methotrexate use. The PPMIS was able to correctly classify RA patients as a past versus present methotrexate user 77% of the time. At the cut point of 3.29, the sensitivity of the PPMIS is 74% and specificity is 72% to correctly classify patients into past/present methotrexate use.ConclusionThis is the first known scale with favourable measurement properties to evaluate methotrexate intolerance using a patient‐centred perspective.
Clinical placements as a challenging opportunity in midwifery education: A qualitative study
Authors: Modarres Maryam , Geranmayeh Mehrnaz , Amini Mitra , Toosi Monireh 
Published: December 2021

AbstractAimThe aim of this qualitative study was to explore some of the existing statuses of clinical education and examine the strengths and weaknesses of the clinical faculty programme.DesignA qualitative study.MethodsThis qualitative study was designed through the directed content analysis approach, which was completed according to the Context, Input, Process, and Product evaluation model. The purposeful sampling method of maximum variation was employed to select 33 participants, and the data were collected through in‐depth individual interviews and focus group discussion.ResultsAfter the interview transcripts were analysed, the participants' opinions of the clinical faculty programme and the relevant challenges, dimensions and factors were classified into four categories and sixteen subcategories. The categories were compiled in the CIPP evaluation model, including context, input, process and product. Based on the content analysis results, appropriate planning was recommended for teaching effective clinical skills to students.
Formation and reinforcing effect of epitaxial oriented crystallization of polyethylene induced by self‐assembly nucleating agent under stress
Authors: Wu Buyong , Kong Chen , Cai Yudong , Ye Lin , Chen Shangtao , Li Shuanhong , Zhao Xiaowen 
Published: December 2021

AbstractA rare earth nucleating agent (RENA) was introduced to fabricate polyethylene (PE) pipe resin, which self‐assembled into various structures in PE melt during processing and further induced PE molecules to epitaxially crystallize on its surface to form, among others, a hybrid shish‐kebab crystalline structure due to good crystallographic matching between RENA and PE. Under stress, the shish structure formed by needle‐like RENA assembly arranged preferentially along the drawing direction, which was beneficial for an orderly arrangement of PE chains epitaxially crystallizing on its surface in the process of stress‐induced recrystallization and thus promoted the formation of a dense oriented crystalline structure with a large number of shish structures, resulting in higher degree of crystallinity and orientation, and lower long period and lateral size of lamellae than those of PE sample. By orientation, compared with PE sample at the same draw ratio, PE‐RENA samples showed much higher tensile strength and modulus. Especially, the oriented PE‐RENA pipes showed an approximately 96% and 100% increase in tensile strength along the hoop direction and internal pressure resistance, respectively, compared with unoriented pipe sample. This work provides a facile method for fabricating highly enhanced PE pipes with wide application prospects. © 2021 Society of Industrial Chemistry.
Stratification of prostate cancer patients into low‐ and high‐grade groups using multiparametric magnetic resonance radiomics with dynamic contrast‐enhanced image joint histograms
Authors: Urakami Akimasa , Arimura Hidetaka , Takayama Yukihisa , Kinoshita Fumio , Ninomiya Kenta , Imada Kenjiro , Watanabe Sumiko , Nishie Akihiro , Oda Yoshinao , Ishigami Kousei 
Published: December 2021

AbstractPurposeThis study aimed to investigate the potential of stratification of prostate cancer patients into low‐ and high‐grade groups (GGs) using multiparametric magnetic resonance (mpMR) radiomics in conjunction with two‐dimensional (2D) joint histograms computed with dynamic contrast‐enhanced (DCE) images.MethodsA total of 101 prostate cancer regions extracted from the MR images of 44 patients were identified and divided into training (n = 31 with 72 cancer regions) and test datasets (n = 13 with 29 cancer regions). Each dataset included low‐grade tumors (International Society of Urological Pathology [ISUP] GG ≤ 2) and high‐grade tumors (ISUP GG ≥ 3). A total of 137,970 features consisted of mpMR image (16 types of images in four sequences)‐based and joint histogram (DCE images at 10 phases)‐based features for each cancer region. Joint histogram features can visualize temporally changing perfusion patterns in prostate cancer based on the joint histograms between different phases or subtraction phases of DCE images. Nine signatures (a set of significant features related to GGs) were determined using the best combinations of features selected using the least absolute shrinkage and selection operator. Further, support vector machine models with the nine signatures were built based on a leave‐one‐out cross‐validation for the training dataset and evaluated with receiver operating characteristic (ROC) curve analysis.ResultsThe signature showing the best performance was constructed using six features derived from the joint histograms, DCE original images, and apparent diffusion coefficient maps. The areas under the ROC curves for the training and test datasets were 1.00 and 0.985, respectively.ConclusionThis study suggests that the proposed approach with mpMR radiomics in conjunction with 2D joint histogram computed with DCE images could have the potential to stratify prostate cancer patients into low‐ and high‐GGs.
Prevalence of adverse pathology features in grade group 2 prostatectomy specimens with syn‐ or metachronous metastatic disease
Authors: Ma Christopher , Downes Michelle , Jain Rahi , Ientilucci Marc , Fleshner Neil , Perlis Nathan , van der Kwast Theodorus 
Published: December 2021

AbstractBackgroundTo validate the importance of recently established adverse histopathology features (cribriform pattern and intraductal carcinoma) as contra‐indication for deferred treatment of Gleason score 7 (3 + 4) (grade group [GG] 2) prostate cancer, we investigated their frequency in GG2 radical prostatectomies with syn‐ or metachronous metastatic disease.MethodsGG2 prostatectomy specimens of patients with concomitant lymph node metastasis or distant metastasis at follow‐up were identified in a clinical database of a tertiary care center and their pathology was reviewed for pathological stage, lymphovascular invasion, Gleason grade 4 subpatterns, presence of tertiary grade 5, and ductal adenocarcinoma histology. A control group of 99 GG2 prostatectomy specimens who had no metastatic disease (controls) was reviewed for the same adverse pathological features.ResultsOf 1860 GG2 prostatectomy specimens (operated between 2002 and 2020), 45 (2.4%) had concurrent regional lymph node metastases or distant metastases at follow‐up. Pathological stage distribution of cases and controls was 24% and 79% pT2, 42% and 15% pT3a, 33% and 6.1% pT3b ‐T4, respectively (p < 0.001). Eleven of 45 cases (24%) had ≤10% Gleason grade 4 component. Cribriform pattern or intraductal carcinoma was present in 84% of cases versus 34% of controls (p < 0.001), tertiary grade 5 in 16% of cases versus 5% controls (p = 0.05) and ductal adenocarcinoma in 16% of cases versus 2% of controls (p = 0.004). Among the seven cases without cribriform or intraductal carcinoma, two displayed ductal adenocarcinoma features.ConclusionsWell‐established unfavorable histopathologic features (intraductal and cribriform pattern carcinoma, ductal adenocarcinoma) are represented in about 90% of GG2 prostate cancers with local or distant metastatic disease and are much less common (38%) in those without metastatic disease. Strikingly, about 25% of GG2 prostatectomy cases with metastatic disease had an organ‐confined disease and/or a small percentage of Gleason grade 4 pattern. This further emphasizes the relative importance of these adverse histopathological features (cribriform, intraductal, and ductal adenocarcinoma) rather than percentage Gleason grade 4 as contra‐indicator of deferred treatment for patients with GG2 prostate cancer.
Development of a model‐based clinical trial simulation platform to optimize the design of clinical trials for Duchenne muscular dystrophy
Authors: Lingineni Karthik , Aggarwal Varun , Morales Juan Francisco , Conrado Daniela J. , Corey Diane , Vong Camille , Burton Jackson , Larkindale Jane , Romero Klaus , Schmidt Stephan , Kim Sarah ,   the Cooperative International Neuromuscular Research Group investigators and Duchenne Regulatory Science Consortium members
Published: December 2021

AbstractEarly clinical trials of therapies to treat Duchenne muscular dystrophy (DMD), a fatal genetic X‐linked pediatric disease, have been designed based on the limited understanding of natural disease progression and variability in clinical measures over different stages of the continuum of the disease. The objective was to inform the design of DMD clinical trials by developing a disease progression model‐based clinical trial simulation (CTS) platform based on measures commonly used in DMD trials. Data were integrated from past studies through the Duchenne Regulatory Science Consortium founded by the Critical Path Institute (15 clinical trials and studies, 1505 subjects, 27,252 observations). Using a nonlinear mixed‐effects modeling approach, longitudinal dynamics of five measures were modeled (NorthStar Ambulatory Assessment, forced vital capacity, and the velocities of the following three timed functional tests: time to stand from supine, time to climb 4 stairs, and 10 meter walk‐run time). The models were validated on external data sets and captured longitudinal changes in the five measures well, including both early disease when function improves as a result of growth and development and the decline in function in later stages. The models can be used in the CTS platform to perform trial simulations to optimize the selection of inclusion/exclusion criteria, selection of measures, and other trial parameters. The data sets and models have been reviewed by the US Food and Drug Administration and the European Medicines Agency; have been accepted into the Fit‐for‐Purpose and Qualification for Novel Methodologies pathways, respectively; and will be submitted for potential endorsement by both agencies.
Theoretical study on the thermal dissociation of FOX‐7 promoted by NO2
Authors: Zhu Qiong , Zhou Panwang , Liu Jianyong , Yin Shuhui 
Published: December 2021

Abstract1,1‐diamino‐2,2‐dinitroethene (FOX‐7) is a novel energetic material with high performance and low sensitivity. In order to deeply understand the reaction mechanism in the initiation “hot spots” of FOX‐7 and reveal the growth mechanism of these initiation “hot spots” in the explosion process, the detailed mechanisms of bimolecular reaction of NO2and FOX‐7, as well as the subsequent reactions have been investigated by the quantum chemical calculations. The mechanism of NO2and FOX‐7 bimolecular reaction and the catalytic effect of NO2were revealed by three key dissociation paths. It is demonstrated that the NO2molecule plays an important role in promoting the decomposition of the FOX‐7 molecule, and the main exothermic pathways were the reactions between oxidizing intermediates (NO, NO2), and reducing intermediates (CO, NH3).
Evaluation of cooking effects on otolith stable carbon and oxygen isotope values of teleostean fish Pomadasys kaakan (Cuvier, 1830)
Authors: Wang Yen‐Chun , Chang Yi‐Jay , Wang Pei‐Ling , Shiao Jen‐Chieh 
Published: December 2021

RationaleFor years, archaeologists, climatologists, and ecologists have used stable oxygen isotope values (δ13C, δ18O) in fish otoliths from archaeological sites to reconstruct the habitats, paleo‐temperature, and seasonality of the fish captures. Otoliths from archaeological sites might have been heated when ancient people cooked the fish for food. Therefore, there are debates as to whether the cooking behaviors would cause further isotopic fractionations of the carbonate in the otoliths.MethodsIn this study, we have evaluated the effects of the cooking methods on the otolith δ13C and δ18O values by comparing the otoliths of the javelin grunter (Pomadasys kaakan) from the same individuals, with the left otoliths taken out before the different cooking processes. Otolith sections of the fish were then made and several subsamples were milled along the microstructures visible in the otolith pairs, mostly annual check rings, followed by the stable isotope analyses.ResultsThere were no morphological changes between the cooked and uncooked otoliths. The δ13C and δ18O values were highly consistent for the otolith subsamples between the cooked and uncooked pairs, suggesting none or trivial effects of the cooking processes on the isotopic values of the otoliths. In addition, some javelin grunters showed lower δ13C (−5‰ to −6‰) and δ18O (−4‰ to −5‰) values deposited in the wide translucent zone of the otoliths, suggesting seasonal migration of the fish to estuaries during the summer.ConclusionsThis study suggests that cooking processes do not change otolith stable isotopic compositions and will therefore allow for future research to use the otolith δ13C and δ18O values to better understand the life history and used habitats of the preserved fish remains in the middens.
Smart Solar–Metal–Air Batteries Based on BiOCl Photocorrosion for Monolithic Solar Energy Conversion and Storage
Authors: Lan Yalin , Batmunkh Munkhbayar , Li Peng , Qian Bingzhi , Bu Degang , Zhao Qin , Huang Hongwei , Sun Wenping , Zhang Yu , Ma Tianyi , Song Xi‐Ming , Jia Baohua 
Published: December 2021

AbstractHerein, a BiOCl hydrogel film electrode featuring excellent photocorrosion and regeneration properties acts as the anode to construct a novel type of smart solar–metal–air batteries (SMABs), which combines the characteristics of solar cells (direct photovoltaic conversion) and metal–air batteries (electric energy storage and release interacting with atmosphere). The cyclic photocorrosion processes between BiOCl (Bi3+) and Bi can simply be achieved by solar light illumination and standing in the dark. Upon illumination, the device takes open‐circuit configuration to charge itself from the sunlight. Notably, in this system, the converted solar energy can be stored in the SMABs without the need of external assistance. In the discharging process in the dark, Bi0 spontaneously turns back to Bi3+ producing electrons to induce the oxygen reduction reaction. With an illumination of 15 min, the battery with an electrode area of 1 cm2 can be continuously discharged for ≈3000 s. Taking elemental Bi as the calculation object, the theoretical capacity of the SMABs is 384.75 mAh g‐1, showing its potential application in energy storage. This novel type of SMABs is developed based on the unique photocorrosive and self‐oxidation reaction of BiOCl to achieve photochemical energy generation and storage.
Beta hemolysin gene of Staphylococcus phage 3AJ_2017 genome is a suitable molecular marker for identification and characterization of pathogenic Staphylococcus aureus
Authors: Miruka Silviane A. , Aboge Gabriel O. , Macharia Rosaline W. , Obiero George O. , Omwenga Isaac M. 
Published: December 2021

AbstractBackgroundStaphylococcus aureus cause diseases both in humans and animals. These diseases range from mild to fatal infections thus necessitating development of a specific molecular method for detection of pathogenic S. aureus.ObjectivesTo identify and analyze genetic profile of pathogenic S. aureus using bacteriophage based genetic biomarkers.MethodsUsing culture and biochemical methods, 148 S. aureus (87 %) were isolated from 170 raw milk samples taken from 10 dairy farms in Marsabit and Isiolo counties in Northern Kenya between June 2016 and February 2017. The samples were collected directly from dairy lactating cows previously diagnosed with S. aureus in a follow‐up study. The isolates were analyzed by PCR and sequencing of beta hemolysin (hlb) gene. The genetic relationship between five Kenyan S. aureus isolates and five isolates previously identified was inferred.ResultsFrom the 96 isolates screened for hlb gene, 75 (78.1%) tested positive. Some of the positive isolates yielded a band size of 975 bp, while others 1100 bp. Through Basic Local Alignment Search Tool (BLAST) search analysis, the two different band sizes (975 bp and 1100 bp) were both confirmed to be hlb gene from S. aureus isolates indicating that the difference in band size may have been due to deletions that were detected in the 975 bp hlb gene. Some S. aureus isolates from Kenya appeared to be closely related to isolates from other parts of the world, while some showed a distant relationship.ConclusionsPhage‐derived hlb gene is a suitable molecular marker for detection of pathogenic S. aureus.
Emotional pathways to climate change responses
Authors: Davidson Debra J. , Kecinski Maik 
Published: December 2021

AbstractThe first trigger to any form of personal and collective change begins with emotions. They influence whether and how our attention is drawn to stimuli, how we reflect upon those stimuli, and how we choose courses of action. Emotions are thus at the center of social responses to climate change. We offer a selective, interdisciplinary review of emotions research to inform the development of a hypothetical emotion–cognition model of climate change response, followed by exploration of the emotional precedents supporting three prevailing behavioral responses which support inaction: apathy, denial, and withdrawal. We then review research that can inform emotion triggers to pro‐climate adaptive and mitigative action. We conclude with a discussion of two key research needs: intersectionality and interdisciplinarity. Addressing these needs will enhance our ability to respond to the climate emergency.This article is categorized under:Perceptions, Behavior, and Communication of Climate Change > Behavior Change and Responses
Invasion of Eastern Deciduous Forests by the Spotted Wing Drosophila: Impacts and Knowledge Gaps
Authors: Roche Daniel P. , Stoleson Scott H. , Lituma Christopher M. 
Published: December 2021

ABSTRACTInvasion of forest ecosystems by non‐native invasive insect pests (NNIIPs) can alter native animal and plant communities by disrupting species interactions. However, little is known about how fruit‐targeting NNIIPs may alter forest ecosystems. Recently introduced to the western United States, spotted wing Drosophila (Drosophila suzukii; SWD) is a parasite of soft‐skinned fruits. The ability of SWD to parasitize still‐ripening fruits of many plant species led to rapid expansion in agricultural systems across North America. Recent surveys have documented widespread SWD parasitism of wild fruits in forests, although impacts of parasitism remain unexplored. We investigated how SWD may produce ecological changes to eastern forests through several mechanisms: 1) disruption of plant–animal seed dispersal interactions; 2) subsequent alterations to plant community composition; and 3) changes in fruit consumption by wildlife. Parasitism of fruits by SWD may reduce attractiveness to potential seed dispersers, reducing overall consumption and shifting future plant communities away from fruit‐producing species. Invasion by SWD may therefore have both short‐term and long‐term consequences for food resources for wildlife and ecosystem function. We highlighted frugivorous birds because of their importance as consumers and dispersers of fruits in eastern North America and their well‐documented rejection of parasitized fruits. We proposed several critical avenues of research and call for a large‐scale collaborative effort to understand the complex relationship SWD may play with plants and wildlife in forest ecosystems. © 2021 The Wildlife Society.