bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polarity Umpolung Strategy for the Radical Alkylation of Alkenes
Authors: Liu Jige , Wu Shuo , Yu Jiajia , Lu Chenxi , Wu Zhen , Wu Xinxin , Xue Xiao‐Song , Zhu Chen 
Published: February 2020

AbstractFree radical mediated alkylation of alkenes is a challenging and largely unmet goal. Disclosed here is a conceptually novel “polarity umpolung” strategy for radical alkylation of alkenes using a portfolio of easily accessed, difunctional alkylating reagents. This strategy is achieved by substituting inherently nucleophilic alkyl radicals with electrophilic sulfone‐bearing surrogates, thus inverting the usual mode of reactivity. Along with alkylation, either an heteroaryl or oximino group is concurrently incorporated into the alkenes by a consecutive docking and migration process, leading to valuable products. The reaction displays a broad functional‐group tolerance under mild reaction conditions. The protocol opens new vistas for the late‐stage modification of complex natural products and drug molecules containing alkene moieties.
Missing data treatment for locally weighted partial least square‐based modelling: A comparative study
Authors: Yeo Wan Sieng , Saptoro Agus , Kumar Perumal 
Published: February 2020

AbstractAdaptive soft sensors including widely used locally weighted partial least square (LW‐PLS) have been established for online prediction, fault detection, and process monitoring. Nevertheless, majority of these existing adaptive soft sensors have zero tolerance to missing data, and the presence of missing data is inevitable due to sensor failures, routine maintenance, changes in sensor equipment over time, merging data from different system, and so forth. In the literature, limited studies could be found on the effects of missing data and the existing missing data imputation methods on the predictive performances of adaptive soft sensors. This work reports combined use of different missing data imputation techniques on LW‐PLS and the nonadaptive soft sensor, the partial least square (PLS). Well known trimmed score regression (TSR) and singular value decomposition (SVD) were employed in this study, and thus, the newly integrated TSR‐LW‐PLS and SVD‐LW‐PLS algorithms were proposed. Meanwhile, both existing TSR‐PLS and SVD‐PLS were used, and their results compared with the novel TSR‐LW‐PLS and SVD‐LW‐PLS algorithms. These algorithms were tested and evaluated using two examples having different percentages of missing data ranging from 5% to 40%. Results showed that TSR‐LW‐PLS model was superior compared with SVD‐LW‐PLS, TSR‐PLS, and SVD‐PLS as indicated by more than 100% improvements in prediction accuracy. It was also evident that TSR‐LW‐PLS is able to cope well with up to 20% of missing data.
The incorporation and release of ungeremine, an antifungal Amaryllidaceae alkaloid, in poly(lactic acid)/poly(ethylene glycol) nanofibers
Authors: Moeini Arash , Cimmino Alessio , Masi Marco , Evidente Antonio , Van Reenen Albert 
Published: February 2020

AbstractUngeremine (UNG) is an alkaloid typically isolated from Pancratium maritimum or synthesized by the oxidation of lycorine. This antifungal alkaloid was incorporated into electrospun nanofibers based on blends of poly(lactic acid) (PLA) and poly(ethylene glycol) (PEG). The effect of the UNG on the structure, morphology, and thermal properties of the fibers was evaluated, and the release of the alkaloid from the fibers was quantified. Studies on the release of the UNG for the nanofibers show that the release rate is related to the amount and distribution of the PEG in the nanofiber matrix. Initial burst release of the antifungal alkaloid is related to the PEG in the nanofibers, where after a sustained release occurs indicating that the UNG is present in both the PLA and PEG domains in the nanofibers.
Development and characterization of novel SSR markers in the endangered endemic species Ferula sadleriana
Authors: Malkócs Tamás , Laczkó Levente , Bereczki Judit , Meglécz Emese , Szövényi Péter , Sramkó Gábor 
Published: February 2020

PremiseFerula sadleriana (Apiaceae) is a polycarpic, perennial herb with a very limited range and small populations. It is listed as “endangered” on the IUCN Red List of Threatened Species. Microsatellite markers can contribute to conservation efforts by allowing the study of the genetic structure of its shrinking populations.Methods and ResultsWe used a microsatellite‐enriched library combined with an Illumina sequencing approach to develop simple sequence repeat markers in our target species. Out of 44 tested primer pairs, 22 provided specific products, and 13 showed heterologous amplification in the target species. Cross‐species amplification was achieved at 20 and 19 loci in two congeneric species, F. soongarica and F. tatarica, respectively.ConclusionsThe primers described here are the first tools that enable the population genetic characterization of F. sadleriana. Our results suggest a wider applicability in the genus Ferula.
Using object‐based image analysis with multi‐temporal aerial imagery and LiDAR to detect change in temperate intertidal habitats
Authors: Lightfoot Paula , Scott Catherine , Fitzsimmons Clare 
Published: February 2020

Abstract

Intertidal habitat maps are needed at both fine and coarse scales to monitor change and inform conservation and management, but current methods of field survey and expert interpretation of aerial imagery can be time‐consuming and subjective. Object‐based image analysis (OBIA) of remote sensing data is increasingly employed for producing habitat or land cover maps. Users create automated workflows to segment imagery, creating ecologically meaningful objects, which are then classified based on their spectral or geometric properties, relationships to other objects and contextual data.
This study evaluates the change‐detection capability of OBIA in the intertidal environment by developing and comparing two OBIA methods for quantifying change in extent and distribution of habitats from freely available multi‐temporal aerial imagery and LiDAR data. Despite considerable variability in the data, pre‐ and post‐classification change detection methods had sufficient accuracy (mean overall accuracy from 70.5 to 82.6%) to monitor deviation from a background level of natural environmental fluctuation.
This insight into spatial and temporal patterns of natural cyclical change and their detectability by OBIA could inform use of remote sensing for regular, rapid coastal assessment, providing an alert system to direct survey resources to areas of ecologically relevant change.
Biological subtype predicts locoregional recurrence after postmastectomy radiotherapy in Chinese breast cancer patients
Authors: Wang Jiangfeng , Luo Jurui , Jin Kairui , Wang Xuanyi , Yang Zhaozhi , Ma Jinli , Mei Xin , Wang Xiaofang , Zhou Zhirui , Yu Xiaoli , Chen Xingxing , Guo Xiaomao 
Published: February 2020

AbstractAimTo investigate the impact of biological subtypes in locoregional recurrence in Chinese breast cancer patients receiving postmastectomy radiotherapy (PMRT).Methods and MaterialsAbout 583 patients who received postmastectomy radiation between 2010 and 2012 were retrospectively analyzed. According to immunohistochemical staining profile, patients were classified into: Luminal A‐like, Luminal B‐like, HER2‐positive, and triple‐negative breast cancer (TNBC). Local and regional recurrence (LRR) cumulative incidences were calculated by competing risks methodology and the power of prognostic factors was examined by Gray's test and the test of Fine and Gray.ResultsThe median follow‐up was 70.9 months. About 34 LRR events occurred. For Luminal A, Luminal B, HER2‐positive, and TNBC patients, the 5‐year LRR cumulative incidence rates were 1.57%, 4.09%, 10.74%, and 10.28%. Compared with Luminal A, HER2‐positive subtype and TNBC had a significant increased risk of LRR (HR was 5.034 and 5.188, respectively). In univariate analysis, predictive factors for higher LRR were HER2‐positive subtype (HR = 4.43, P < .05), TNBC (HR = 4.70, P < .05), and pN3 (HR = 5.83, P < .05). In the multivariate model, HER2‐positive subtype (HR = 5.034, P < .05), TNBC (HR = 5.188, P < .05), and pN3 (HR = 9.607, P < .01) were independent predictors of LRR. LRR without trastuzumab was similar to that of TNBC (without vs TNBC, 17.88% vs 10.28%, P > .05) in HER2‐positive subtype patients, while LRR with trastuzumab was approximate to Luminal A (with vs Luminal A, P > .05). Additionally, endocrine therapy also significantly reduced LRR incidence in the luminal subtype cohort (without vs with therapy, 6.25% vs 2.89%, HR = 0.365, P < .1).ConclusionsBiological subtype was a prognostic factor of LRR in the PMRT setting among Chinese breast cancer patients.
The effects of moisture at baling and wrapping delay on storage characteristics of annual ryegrass round bale silage
Authors: Crook Tyler , Stewart Brandon , Sims Michael , Weiss Caleb , Coffey Ken , Coblentz Wayne , Beck Paul 
Published: February 2020

AbstractMoisture content and time between baling and wrapping round bale silage impacts silage quality and aerobic stability. The objective of this study was to observe the effects of wrapping delays of 0, 1, 2, or 3 d on the nutritional quality and storage characteristics of annual ryegrass (Lolium multiflorum Lam.) silage baled at two levels of moisture (30 ± 9.5% [DRY] or 74 ± 0.8% [WET]). The DRY (n = 18) and WET (n = 20) bales were assigned as replicates and wrapped by pasture quadrant, then stored for 85 d. Crude protein (CP), acid detergent fiber (ADF), neutral detergent fiber (NDF), and acid detergent insoluble crude protein (ADICP) of the silage were greater (P < .01) for DRY than WET. Wrapping delays did not change bale weight or CP, but dry matter concentrations decreased linearly (P = .03) and ADF, NDF, and ADICP increased (P ≤ .02) linearly with wrapping delay. The maximum temperature of DRY was greater (P = .01) than WET and increased linearly with wrapping delays (P < .01). Changes in the fermentation profile of WET bales with delays in wrapping indicated altered fermentation and increased pH, which will result in reduced shelf life as well as clostridial activity with greater butyric acid content and possible reduced intake by livestock. Based on these results, ryegrass fermentation patterns and nutritional quality show a decline with each day delayed before wrapping with WET silage.
Electronic Finetuning of 8‐Methoxy Psoralens by Palladium‐Catalyzed Coupling: Acidochromicity and Solvatochromicity
Authors: Geenen Sarah R. , Presser Lysander , Hölzel Torsten , Ganter Christian , Müller Thomas J. J. 
Published: February 2020

AbstractDifferently 5‐substituted 8‐methoxypsoralens can be synthesized by an efficient synthetic route with various cross‐coupling methodologies, such as Suzuki, Sonogashira and Heck reaction. Compared to previously synthesized psoralens, thereby promising daylight absorbing compounds as potentially active agents against certain skin diseases can be readily accessed. Extensive investigations of all synthesized psoralen derivatives reveal fluorescence in the solid state as well as several distinctly emissive derivatives in solution. Donor‐substituted psoralens exhibit remarkable photophysical properties, such as high fluorescence quantum yields and pronounced emission solvatochromicity and acidochromicity, which were scrutinized by Lippert–Mataga and Stern–Volmer plots. The results indicate that the compounds exceed the limit of visible light, a significant factor for potential applications as an active agent. In addition, (TD)DFT calculations were performed to elucidate the underlying electronic structure and to assign experimentally obtained data.
N‐Heterocyclic Carbene (NHC)‐Stabilized Ru0 Nanoparticles: In Situ Generation of an Efficient Transfer Hydrogenation Catalyst
Authors: Kathuria Lakshay , Din Reshi Noor U. , Samuelson Ashoka G. 
Published: February 2020

AbstractTethered and untethered ruthenium half‐sandwich complexes were synthesized and characterized spectroscopically. X‐ray crystallographic analysis of three untethered and two tethered Ru N‐heterocyclic carbene (NHC) complexes were also carried out. These RuNHC complexes catalyze transfer hydrogenation of aromatic ketones in 2‐propanol under reflux, optimally in the presence of (25 mol %) KOH. Under these conditions, the formation of 2–3 nm‐sized Ru0 nanoparticles was detected by TEM measurements. A solid‐state NMR investigation of the nanoparticles suggested that the NHC ligands were bound to the surface of the Ru nanoparticles (NPs). This base‐promoted route to NHC‐stabilized ruthenium nanoparticles directly from arene‐tethered ruthenium–NHC complexes and from untethered ruthenium–NHC complexes is more convenient than previously known routes to NHC‐stabilized Ru nanocatalysts. Similar catalytically active RuNPs were also generated from the reaction of a mixture of [RuCl2(p‐cymene)]2 and the NHC precursor with KOH in isopropanol under reflux. The transfer hydrogenation catalyzed by these NHC‐stabilized RuNPs possess a high turnover number. The catalytic efficiency was significantly reduced if nanoparticles were exposed to air or allowed to aggregate and precipitate by cooling the reaction mixtures during the reaction.
Main‐Group Metal Complexes in Selective Bond Formations Through Radical Pathways
Authors: Lichtenberg Crispin 
Published: February 2020

AbstractRecent years have witnessed remarkable advances in radical reactions involving main‐group metal complexes. This includes the isolation and detailed characterization of main‐group metal radical compounds, but also the generation of highly reactive persistent or transient radical species. A rich arsenal of methods has been established that allows control over and exploitation of their unusual reactivity patterns. Thus, main‐group metal compounds have entered the field of selective bond formations in controlled radical reactions. Transformations that used to be the domain of late transition‐metal compounds have been realized, and unusual selectivities, high activities, as well as remarkable functional‐group tolerances have been reported. Recent findings demonstrate the potential of main‐group metal compounds to become standard tools of synthetic chemistry, catalysis, and materials science, when operating through radical pathways.
Rh‐Catalyzed Asymmetric Hydrogenation of α,β‐ and β,β‐Disubstituted Unsaturated Boronate Esters
Authors: Yan Qiaozhi , Shen Xin , Zi Guofu , Hou Guohua 
Published: February 2020

AbstractA highly enantioselective hydrogenation of α,β‐unsaturated boronate esters catalyzed by Rh‐(S)‐DTBM‐Segphos complex has been developed. Both (Z)‐α,β‐ and β,β‐disubstituted substrates can be successfully hydrogenated to afford chiral boronates with excellent enantioselectivities, up to 98 % ee. Furthermore, the obtained chiral boronate esters, as important versatile synthetic intermediates are successfully transformed to the corresponding chiral alcohols, amines and other important derivatives with maintained enantioselectivities.
Enantiomeric effect of paclobutrazol on the microorganism composition during wine fermentation
Authors: Guo Hao‐Ming , Zhao Yue , Ou Yang Mei‐Nan , Yang Zhong‐Hua 
Published: February 2020

AbstractPesticide residues in food can bring potential risks to human health and has been widely concerned in recent years. In the current study, the influence of paclobutrazol, which resided in raw material (grape) on wine fermentation process, were investigated. The degradation kinetic results indicated that the enantiomers of paclobutrazol not be degraded during 30 days of fermentation process. In order to achieve the fermented microorganism information of diversity, community composition, and function, the analysis of 16S rRNA and ITS sequencing were performed. Results demonstrated that the dominant microorganisms multiplied and the microbial diversity in the samples decreased as the fermentation process progresses. Furthermore, the paclobutrazol stimulated the growth of Pichia, which was observed during wine fermentation and which may have an underlying impact on the quality of the wine. The above results inferred that paclobutrazol residue could disturb the microbial community stability during wine fermentation, and the stable existence of paclobutrazol will cause potential risks to food safety and human health. In this work, we have successfully devised a method to investigate the influences of pesticide residues in raw materials during food processing and conclusions from this study could provide basis for dietary risk assessment.
Exercise and hypertrophic cardiomyopathy: Two incompatible entities?
Authors: Basu Joyee , Malhotra Aneil , Papadakis Michael 
Published: February 2020

AbstractA greater understanding of the pathogenic mechanisms underpinning hypertrophic cardiomyopathy (HCM) has translated to improved medical care and better survival of affected individuals. Historically these patients were considered to be at high risk of sudden cardiac death (SCD) during exercise; therefore, exercise recommendations were highly conservative and promoted a sedentary life style. There is emerging evidence that suggests that exercise in HCM has a favorable effect on cardiovascular remodeling and moderate exercise programs have not raised any safety concerns. Furthermore, individuals with HCM have a similar burden of atherosclerotic risk factors as the general population in whom exercise has been associated with a reduction in myocardial infarction, stroke, and heart failure, especially among those with a high‐risk burden. Small studies revealed that athletes who choose to continue with regular competition do not demonstrate adverse outcomes when compared to those who discontinue sport, and active individuals implanted with an implantable cardioverter defibrillator do not have an increased risk of appropriate shocks or other adverse events. The recently published exercise recommendations from the European Association for Preventative Cardiology account for more contemporary evidence and adopt a more liberal stance regarding competitive and high intensity sport in individuals with low‐risk HCM. This review addresses the issue of exercise in individuals with HCM, and explores current evidence supporting safety of exercise in HCM, potential caveats, and areas of further research.
Crafting Porous Carbon for Immobilizing Pd Nanoparticles with Enhanced Catalytic Activity for Formic Acid Dehydrogenation
Authors: Li Zhangpeng , Tsumori Nobuko , Xu Qiang 
Published: February 2020

AbstractThe development of highly active heterogeneous catalytic systems that catalyze formic acid (FA) to generate CO‐free H2 holds great promise for future energy demands, but is often limited by the low catalytic activity and stability of metal catalysts under ambient conditions. It is thus highly desirable to rationally design a catalyst to boost the catalytic performance. Herein, a general room‐temperature HNO3‐treatment approach (RTHTA) is developed to accomplish surface modification of various porous carbon materials for immobilizing ultrafine palladium nanoparticles (Pd NPs). A significantly enhanced catalytic performance of the immobilized Pd NPs toward the selective dehydrogenation of FA is achieved, which gives a record‐high turnover frequency of 13333 h−1 at 60 °C, corresponding to a calculated H2 generation rate of 50.8 L H2 min−1 gPd−1. The results presented here may provide insight into the formation and stabilization of highly active immobilized metal nanoparticles, as well as the enhanced catalytic performance of Pd NPs for catalytic dehydrogenation reactions.
How to Perform miRacles: A Step‐by‐Step microRNA Detection Protocol Using DNA Nanoswitches
Authors: Chandrasekaran Arun Richard , Dey Bijan K. , Halvorsen Ken 
Published: February 2020

AbstractMicroRNAs are short non‐coding RNAs involved in post‐transcriptional gene regulation, and are increasingly considered to be biomarkers for numerous biological processes and human diseases. Current techniques used for microRNA detection can be expensive and labor‐intensive, and typically require amplification, labeling, or radioactive probes. In this protocol, we describe a DNA nanoswitch–based microRNA detection assay termed “miRacles”: microRNA‐activated conditional looping of engineered switches. This method uses conformationally responsive DNA nanoswitches that detect the presence of specific microRNAs with a simple and unambiguous gel‐shift assay that can be performed on the benchtop. The assay is low cost, minimalistic, and capable of direct detection of specific microRNAs in unprocessed total RNA samples, with no enzymatic amplification, labeling, or special equipment. The protocol for detection of microRNAs in total RNA can be completed in as little as a few hours, making this assay a compelling alternative to qPCR and Northern blotting. © 2020 by John Wiley & Sons, Inc.Basic Protocol 1: Preparation of DNA nanoswitchesBasic Protocol 2: Detection of microRNAs from total RNA samplesSupport Protocol 1: Optional nanoswitch purification by PEG precipitationSupport Protocol 2: Optional nanoswitch purification by liquid chromatography
Integrative Sustainable Intelligence: A holistic model to integrate corporate sustainability strategies
Authors: Silvestre Winston Jerónimo , Fonseca Ana 
Published: February 2020

AbstractOrganizations have been showing a growing awareness regarding the importance of corporate sustainability. However, the integration of sustainability concerns in companies' long‐term planning, strategic management, processes, and activities is still challenging, disconnected, and often conducted in isolation. Based on a qualitative exploratory research combining different perspectives found in the literature, the present research presents a theoretical framework that is expected to enhance the adequate development and management of organizational sustainability‐oriented practices — the Integrative Sustainable Intelligence model. This model provides organizational managers with a structured framework to adequately understand, select, implement and assess sustainability promoting actions, based on the development of structural and systematic disruptive tools and involving the exchange of collaborative ideas between organizational stakeholders. The adoption of the Integrative Sustainable Intelligence model is expected to foster change processes and innovations in the search for solutions for sustainability‐oriented business models.
Dual‐Zinc Electrode Electrochemical Desalination
Authors: Dai Jinhong , Wang Jian , Hou Xianhua , Ru Qiang , He Qingyu , Srimuk Pattarachai , Presser Volker , Chen Fuming 
Published: February 2020

AbstractContinuous and low‐energy desalination technologies are in high demand to enable sustainable water remediation. Our work introduces a continuous desalination process based on the redox reaction of a dual‐zinc electrode. The system consists of two zinc foils as redox electrodes with flowing ZnCl2 electrolyte, concentrated and diluted salt streams with three anion‐ and cation‐exchange membranes (AEM and CEM) separated configuration (AEM|CEM|AEM). If a constant current is applied, the negative zinc electrode is oxidized, and electrons are released to the external circuit, whereas the positive zinc electrode is reduced, causing salt removal in the dilution stream. The results showed that brackish water can be directly desalted to 380.6 ppm during a continuous batch‐mode process. The energy consumption can be as low as 35.30 kJ mol−1 at a current density of 0.25 mA cm−2, which is comparable to reverse osmosis. In addition, the dual‐zinc electrode electrochemical desalination demonstrates excellent rate performance, reversibility, and batch cyclability through electrode exchange regeneration. Our research provides a route for continuous low‐energy desalination based on metal redox mediators.