bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemBead Enabled High‐Throughput Cross‐Electrophile Coupling Reveals a New Complementary Ligand
Authors: Aguirre Ana L. , Loud Nathan L. , Johnson Keywan A. , Weix Daniel J. , Wang Ying 
Published: July 2021

AbstractHigh‐throughput experimentation (HTE) methods are central to modern medicinal chemistry. While many HTE approaches to C−N and Csp2−Csp2 bonds are available, options for Csp2−Csp3 bonds are limited. We report here how the adaptation of nickel‐catalyzed cross‐electrophile coupling of aryl bromides with alkyl halides to HTE is enabled by AbbVie ChemBeads technology. By using this approach, we were able to quickly map out the reactivity space at a global level with a challenging array of 3×222 micromolar reactions. The observed hit rate (56 %) is competitive with other often‐used HTE reactions and the results are scalable. A key to this level of success was the finding that bipyridine 6‐carboxamidine (BpyCam), a ligand that had not previously been shown to be optimal in any reaction, is as general as the best‐known ligands with complementary reactivity. Such “cryptic” catalysts may be common and modern HTE methods should facilitate the process of finding these catalysts.
Effect of Sn content on Pt/CNT electrocatalysts for direct ethanol fuel cell application
Authors: Azcoaga Chort M. Florencia , Nagel Pablo A. , Veizaga Natalia S. , Rodríguez Virginia I. , de Miguel Sergio R. 
Published: July 2021

AbstractSeveral bimetallic PtSn catalysts supported on multiwalled carbon nanotubes for ethanol electro‐oxidation were prepared by conventional impregnation‐reduction method. The Pt loading was kept at 20 wt.% and Pt:Sn atomic ratios of 5:1, 3:1, and 1:1 were selected. The catalysts were structurally characterized by temperature programmed reduction, X‐ray diffraction, X‐ray photoelectron spectroscopy, H2 chemisorption, cyclohexane dehydrogenation reaction, and transmission electron microscopy. The electrochemical characterization of the electrocatalytic materials was carried out in acid medium by cyclic voltammetry, linear sweep voltammetry, chronoamperometry, and CO stripping techniques. Among the different stoichiometries tested, the Pt(20)Sn(12.17)/CNT catalyst exhibited the highest electrocatalytic activity for ethanol oxidation reaction, with mass current density of 189.5 mA mgPt−1 at 796 mV (vs. Ag/AgCl).
Longitudinal association between cognitive depressive symptoms and D‐dimer levels in patients following acute myocardial infarction
Authors: von Känel Roland , Pazhenkottil Aju P. , Meister‐Langraf Rebecca E. , Znoj Hansjörg , Schmid Jean‐Paul , Zuccarella‐Hackl Claudia , Barth Jürgen , Schnyder Ulrich , Princip Mary 
Published: July 2021

AbstractBackgroundA prothrombotic tendency could partially explain the poor prognosis of patients with coronary heart disease and depression. We hypothesized that cognitive depressive symptoms are positively associated with the coagulation activation marker D‐dimer throughout the first year after myocardial infarction (MI).MethodsPatients with acute MI (mean age 60 years, 85% men) were investigated at hospital admission (n = 190), 3 months (n = 154) and 12 months (n = 106). Random linear mixed regression models were used to evaluate the relation between cognitive depressive symptoms, assessed with the Beck depression inventory (BDI), and changes in plasma D‐dimer levels. Demographics, cardiac disease severity, medical comorbidity, depression history, medication, health behaviors, and stress hormones were considered for analyses.ResultsThe prevalence of clinical depressive symptoms (13‐item BDI score ≥ 6) was 13.2% at admission and stable across time. Both continuous (p < .05) and categorical (p < .010) cognitive depressive symptoms were related to higher D‐dimer levels over time, independent of covariates. Indicating clinical relevance, D‐dimer was 73 ng/ml higher in patients with a BDI score ≥ 6 versus those with a score < 6. There was a cognitive depressive symptom‐by‐cortisol interaction (p < .05) with a positive association between cognitive depressive symptoms and D‐dimer when cortisol levels were high (p < .010), but not when cortisol levels were low (p > .05). Fluctuations (up and down) of cognitive depressive symptoms and D‐dimer from one investigation to the next showed also significant associations (p < .05).ConclusionsCognitive depressive symptoms were independently associated with hypercoagulability in patients up to 1 year after MI. Hypothalamic–pituitary–adrenal axis could potentially modify this effect.
Comparison of new magnetic resonance imaging grading system with conventional endoscopy for the early detection of nasopharyngeal carcinoma
Authors: Liu Zhiwei , Li Hui , Yu Kelly J. , Xie Shang‐Hang , King Ann D. , Ai Qi‐Yong H. , Chen Wen‐Jie , Chen Xiao‐Xia , Lu Zi‐Jian , Tang Lin‐Quang , Wang Lin , Xie Chuan‐Miao , Ling Wei , Lu Yu‐Qiang , Huang Qi‐Hong , Coghill Anna E. , Fakhry Carole , Pfeiffer Ruth M. , Zeng Yi‐Xin , Cao Su‐Mei , Hildesheim Allan 
Published: July 2021

BackgroundAlthough stratifying individuals with respect to nasopharyngeal carcinoma (NPC) risk with Epstein‐Barr virus–based markers is possible, the performance of diagnostic methods for detecting lesions among screen‐positive individuals is poorly understood.MethodsThe authors prospectively evaluated 882 participants aged 30 to 70 years who were enrolled between October 2014 and November 2018 in an ongoing, population‐based NPC screening program and had an elevated NPC risk. Participants were offered endoscopy and magnetic resonance imaging (MRI), and lesions were identified either by biopsy at a follow‐up endoscopy or further contact and linkage to the local cancer registry through December 31, 2019. The diagnostic performance characteristics of endoscopy and MRI for NPC detection were investigated.ResultsEighteen of 28 identified NPC cases were detected by both methods, 1 was detected by endoscopy alone, and 9 were detected by MRI alone. MRI had significantly higher sensitivity than endoscopy for NPC detection overall (96.4% vs 67.9%; Pdifference = .021) and for early‐stage NPC (95.2% vs 57.1%; P = .021). The sensitivity of endoscopy was suggestively lower among participants who had previously been screened in comparison with those undergoing an initial screening (50.0% vs 81.2%; P = .11). The authors observed a higher overall referral rate by MRI versus endoscopy (17.3% vs 9.1%; P < .001). Cases missed by endoscopy had early‐stage disease and were more commonly observed for tumors originating from the pharyngeal recess.ConclusionsMRI was more sensitive than endoscopy for NPC detection in the context of population screening but required the referral of a higher proportion of screen‐positive individuals. The sensitivity of endoscopy was particularly low for individuals who had previously been screened.
Validation and parameter optimization of a hybrid embedded/homogenized solid tumor perfusion model
Authors: Kremheller Johannes , Brandstaeter Sebastian , Schrefler Bernhard A. , Wall Wolfgang A. 
Published: July 2021

AbstractThe goal of this paper is to investigate the validity of a hybrid embedded/homogenized in‐silico approach for modeling perfusion through solid tumors. The rationale behind this novel idea is that only the larger blood vessels have to be explicitly resolved while the smaller scales of the vasculature are homogenized. As opposed to typical discrete or fully resolved 1D–3D models, the required data can be obtained with in‐vivo imaging techniques since the morphology of the smaller vessels is not necessary. By contrast, the larger vessels, whose topology and structure is attainable noninvasively, are resolved and embedded as one‐dimensional inclusions into the three‐dimensional tissue domain which is modeled as a porous medium. A sound mortar‐type formulation is employed to couple the two representations of the vasculature. We validate the hybrid model and optimize its parameters by comparing its results to a corresponding fully resolved model based on several well‐defined metrics. These tests are performed on a complex data set of three different tumor types with heterogeneous vascular architectures. The correspondence of the hybrid model in terms of mean representative elementary volume blood and interstitial fluid pressures is excellent with relative errors of less than 4%. Larger, but less important and explicable errors are present in terms of blood flow in the smaller, homogenized vessels. We finally discuss and demonstrate how the hybrid model can be further improved to apply it for studies on tumor perfusion and the efficacy of drug delivery.
Halide Salt‐Catalyzed Crosslinked Polyurethanes for Supercapacitor Gel Electrolyte Applications
Authors: Wei Chien Sheau , Tay Jacob J. M. , Chee Celestine P. T. , Jun Loh Xian , Fam Derrick W. H. , Lim Jason Y. C. 
Published: July 2021

AbstractGel polymer electrolytes are an important advancement in energy storage technology due to their enhanced safety and practical ionic conductivities at ambient temperatures. Herein, a simple one‐step facile synthesis of chemically crosslinked polyurethanes containing polyethylene oxide (PEO) and polypropylene oxide (PPO) macromolecular segments was developed, using ubiquitous non‐toxic tetrabutylammonium or potassium chloride and bromide salts as catalysts. These salts were shown to catalyze the gelation of diol‐diisocyanate polyaddition reactions within minutes. When impregnated with a liquid electrolyte, the resulting gel electrolyte exhibited a practical ionic conductivity of 1.1×10−4 S cm−1 at 40 °C and low segmental chain motion activation energy (11 kJ mol−1). These findings further promote PEO‐PPO polyurethanes as a biocompatible class of materials suitable for further exploration as gel polymer electrolytes for supercapacitors.
Metapopulation dynamics of oysters: sources, sinks, and implications for conservation and restoration
Authors: Theuerkauf Seth J. , Puckett Brandon J. , Eggleston David B. 
Published: July 2021

AbstractMetapopulation and source–sink dynamics are increasingly considered within spatially explicit management of wildlife populations, yet the application of these concepts has generally been limited to comparisons of the performance (e.g., demographic rates or dispersal) inside vs. outside protected areas, and at spatial scales that do not encompass an entire metapopulation. In the present study, a spatially explicit, size‐structured matrix model was applied to simulate the dynamics of an Eastern oyster (Crassostrea virginica) metapopulation in the second largest estuary in the United States—the Albemarle‐Pamlico Estuarine System in North Carolina. The model integrated larval dispersal simulations with empirical measures of oyster demographic rates to simulate the dynamics of the entire oyster metapopulation consisting of 646 reefs and five reef types: (1) restored subtidal reefs closed to harvest (i.e., sanctuaries or protected areas; n = 14), (2) restored subtidal reefs open to harvest (n = 53), (3) natural subtidal reefs open to harvest (n = 301), (4) natural intertidal reefs open to harvest (n = 129), and (5) oyster reefs on manmade, hard structures such as seawalls (n = 149). Key findings included (1) an overall stable, yet slightly declining oyster metapopulation, (2) variable reef type‐specific population trajectories, largely dependent on spatiotemporal variation in larval recruitment, (3) a greater relative importance of inter‐reef larval connectivity on metapopulation dynamics than local larval retention processes, and (4) spatiotemporal variation in the source–sink status of reef subpopulations wherein subtidal sanctuaries and reefs located in the northeastern portion of the estuary were frequent sources. From a management perspective, continued protection of oyster sanctuaries is warranted. Sanctuaries represented only 6.2% of the total reef area, however, they harbored 19% (± 2%) of all oysters and produced 25% (± 6%) of all larvae settling within the metapopulation. Additional management priorities should focus on restoration or conservation of subpopulations that serve as frequent source subpopulations (including those with poor demographic rates, but high connectivity potential), and management of harvest from sink subpopulations. The application of a source–sink framework and similar integrated modeling approach could inform management of oysters in other systems, as well as other species that exhibit similar metapopulation characteristics.
Axially‐ and Meso‐Substituted Aza‐Crown‐Ether‐Incorporated BIII Subporphyrins: Control of Electron‐Donating Ability by Metal Ion Chelation
Authors: Kise Koki , Lee Yu Jin , Tanaka Takayuki , Kim Dongho , Osuka Atsuhiro 
Published: July 2021

AbstractA series of subporphyrin‐based fluorescent probes bearing 1‐aza‐15‐crown‐5 or 1‐aza‐18‐crown‐6 moieties at the meso or axial positions were prepared by Pd‐catalyzed Buchwald‐Hartwig amination reaction of the corresponding bromosubporphyrins. Both types of aza‐crown‐ether‐incorporated subporphyrins were fluorescent in solution and exhibited cation‐dependent absorption and fluorescence changes. In fluorescence titration experiments, opposite responses were observed for the two types of subporphyrins. Namely, fluorescence quenching occurred for the meso‐substituted subporphyrins while fluorescence enhancement was observed for the axially‐substituted subporphyrins. These results demonstrate the advantage of subporphyrins being viable to serve as turn‐off‐type or turn‐on‐type fluorescence probes, depending upon substitution pattern.
Using legacy data to reconstruct the past? Rescue, rigour and reuse in peatland geochronology
Authors: Quik Cindy , van der Velde Ype , Harkema Tom , van der Plicht Hans , Quik Jim , van Beek Roy , Wallinga Jakob 
Published: July 2021

AbstractThere is a growing interest in the rescue and reuse of data from past studies (so‐called legacy data). Data loss is alarming, especially where natural archives are under threat, such as peat deposits. Here we develop a workflow for reuse of legacy radiocarbon dates in peatland studies, including a rigorous quality assessment that can be tailored to specific research questions and study regions. A penalty is assigned to each date based on criteria that consider taphonomic quality (i.e., sample provenance) and dating quality (i.e., sample material and method used). The weights of quality criteria may be adjusted based on the research focus, and resulting confidence levels may be used in further analyses to ensure robustness of conclusions. We apply the proposed approach to a case study of a (former) peat landscape in the Netherlands, aiming to reconstruct the timing of peat initiation spatially. Our search yielded 313 radiocarbon dates from the 1950s to 2019. Based on the quality assessment, the dates—of highly diverse quality—were assigned to four confidence levels. Results indicate that peat initiation for the study area first peaked in the Late Glacial (~14,000 cal years BP), dropped during the Boreal (~9,500 cal years BP) and showed a second peak in the Subboreal (~4,500 cal years BP). We tentatively conclude that the earliest peak was mostly driven by climate (Bølling–Allerød interstadial), whereas the second was probably the result of Holocene sea level rise and related groundwater level rise in combination with climatic conditions (hypsithermal). Our study highlights the potential of legacy data for palaeogeographic reconstructions, as it is cost‐efficient and provides access to information no longer available in the field. However, data retrieval may be challenging, and reuse of data requires that basic information on location, elevation, stratigraphy, sample and laboratory analysis are documented irrespective of the original research aims.
On the use of IMU (inertial measurement unit) sensors in geomorphology
Authors: Maniatis Georgios 
Published: July 2021

AbstractInertial measurement units (IMUs) are mobile sensors assemblies constructed using a combination of MEMS (micro electrical mechanical systems) accelerometers, gyroscopes and magnetometers. Both the technology and its applications to geomorphic problems are developing rapidly, since they demonstrate the prospect of monitoring individual sediment grains, of various sizes, during transport and at high frequency. This prospect has numerous implications which range from hazard identification and warning to complex theoretical derivations for sediment transport modelling. At the same time, the deployment of IMUs needs to be underpinned by a number of technical considerations regarding the limitations of the technology and the physics of the inertial measurements. IMU measurements should be reported in a manner that allows for clear understanding of the scope of the study, with sufficient detail for repeatability and clear error characterization. At a secondary level, IMU measurements should be linked clearly with the physics of sediment motion. Here the author highlights five technical issues which can lead to the misinterpretation of IMU measurements. His scope is to begin a dialogue towards a collective agreement on a presentation/reporting protocol for IMU measurements in geomorphic studies that will allow for the coherent contextualization of the technology and accelerate its scientific impact within geosciences.
Cannabinoid signaling promotes the de‐differentiation and proliferation of Müller glia‐derived progenitor cells
Authors: Campbell Warren A. , Blum Sydney , Reske Alana , Hoang Thanh , Blackshaw Seth , Fischer Andy J. 
Published: July 2021

AbstractEndocannabinoids (eCB) are lipid‐based neurotransmitters that are known to influence synaptic function in the visual system. eCBs are also known to suppress neuroinflammation in different pathological states. However, nothing is known about the roles of the eCB system during the transition of Müller glia (MG) into proliferating progenitor‐like cells in the retina. Accordingly, we used the chick and mouse model to characterize expression patterns of eCB‐related genes and applied pharmacological agents to investigate how the eCB system impacts glial reactivity and the capacity of MG to become Müller glia‐derived progenitor cells (MGPCs). We queried single cell RNA‐seq libraries to identify eCB‐related genes and identify cells with dynamic patterns of expression in damaged retinas. MG and inner retinal neurons expressed the eCB receptor CNR1, as well as enzymes involved in eCB metabolism. In the chick, intraocular injections of cannabinoids, 2‐Arachidonoylglycerol (2‐AG) and Anandamide (AEA), stimulated the formation of MGPCs. Cannabinoid Receptor 1 (CNR1)‐agonists and Monoglyceride Lipase‐inhibitor promoted the formation of MGPCs, whereas CNR1‐antagonist and inhibitors of eCB synthesis suppressed this process. In damaged mouse retinas where MG activate NFkB‐signaling, activation of CNR1 decreased and inhibition of CNR1 increased NFkB, whereas levels of neuronal cell death were unaffected. Surprisingly, retinal microglia were largely unaffected by increases or decreases in eCB‐signaling in both chick and mouse retinas. We conclude that the eCB system in the retina influences the reactivity of MG and the formation of proliferating MGPCs, but does not influence the reactivity of immune cells in the retina.
Correlation between peripheral blood automated hematopoietic progenitor cell counts and flow cytometric CD34+ cell counts differs according to diagnosis in patients undergoing autologous peripheral blood stem cell transplantation
Authors: Kim Sang‐Mi , Kim Hyun‐Young , Kim Seok Jin , Jang Jun Ho , Kim Kihyun , Kim Won Seog , Jung Chul Won , Cho Duck , Kang Eun‐Suk 
Published: July 2021

AbstractBackgroundAn automated hematopoietic progenitor cell count measurement in Sysmex XN analyzer (XN‐HPC) has been developed to assist flow cytometry CD34+ cell count measurement, which requires technical expertise and a long turnaround time. Here, we evaluated the correlation between XN‐HPC count and flow cytometric CD34+ cell count in pre‐harvest peripheral blood (PB) samples from patients undergoing autologous peripheral blood stem cell (PBSC) transplantation according to diagnosis and investigated the possible cause of the decreased correlation in plasma cell neoplasm patients.Materials and MethodsWe retrospectively included 399 patient data that had matched PB XN‐HPC count and CD34+ cell count of PB and apheresis product from Samsung Medical Center (SMC) and the Hematopoietic Stem Cell (HSC) registry. We assessed the diagnostic accuracy and the potential cutoff values of XN‐HPC count for predicting adequate PBSC collection.ResultsThe PB XN‐HPC count was 1.6 and 1.3‐fold higher than the CD34+ cell count in SMC (25.0 vs 15.9/μl) and the HSC registry (20.0 vs 15.2/μl), respectively. Overall the correlation between the PB XN‐HPC and CD34+ cell count was moderate (SMC, r = 0.71; HSC registry, r = 0.66). A significant proportional and systemic bias with overestimation of XN‐HPC count were noted in the plasma cell neoplasm patients in both SMC and the HSC registry. However, no significant difference in correlation was observed according to myeloma‐related laboratory parameters in plasma cell neoplasm patients.ConclusionOur results suggest that XN‐HPC count should be interpreted cautiously in cancer patients undergoing autologous PBSC transplantation, especially in those with plasma cell neoplasm.
Metacognitive reflection and insight therapy in an inpatient setting: Transforming messianism to a coherent mission
Authors: Cohen‐Chazani Yael , Lysaker Paul H. , Roe David , Hasson‐Ohayon Ilanit 
Published: July 2021

AbstractMetacognitive reflection and insight therapy (MERIT) is an integrative form of psychotherapy which seeks to help adults with serious mental illness make sense of the psychosocial challenges and possibilities they face and decide how to respond to them and direct their own recovery. In this article, we present an adaptation of MERIT to the context of an inpatient ward with an accompanied case illustration. Specifically, we describe how this approach is supported by a broad intersubjective framework, followed by a presentation of processes and contents of the treatment. Special attention is given to the concurrent improvements in reflective abilities and overall well‐being of the patient. The unique role that psychotherapy in general, and approaches that emphasize reflective processes in particular, play during acute crises in an inpatient setting is discussed.