bluuebunny/crossref_metadata_2025_split huggingface dataset:
A concurrent two‐scale coupling for wave propagation using direct solution schemes with explicit time integration
Authors: Grunwald Christoph , Durr Nathanaël , Sauer Martin , Riedel Werner , Hiermaier Stefan 
Published: July 2021

AbstractThis article proposes an efficient concurrent coupling of two different material scales—a macroscale and a microscale—in a direct solution scheme based on explicit time integration. Both scales may be discretized with different element sizes and the microdomain may exhibit a heterogeneous structure. A surface coupling is described, which imposes the macrovelocities at the interfaces on the microscale. Using an averaged stress state of several elements on the microscale within a bounded volume, forces are derived which transfer the micromaterial response back to the macroscale. Whereas established surface couplings based on Lagrange multipliers achieve an exact solution of the interface problem, the proposed coupling is based on a weak staggered scheme. The advantage is that no common global system of equations has to be solved and the approach preserves the efficiency of direct solution schemes almost completely. It is therefore well applicable to the simulation of wave propagation phenomena in heterogeneous materials with complex constitutive models and suitable for massive parallelization. Example simulations demonstrate the capabilities and current limitations.
A Godunov‐type discrete element model for elastic‐viscoplastic continuum impact problems
Authors: Liu Zhechao , Zhang Jun , He Yong , Zhao Wanhua 
Published: July 2021

AbstractThe discrete element model (DEM) has attractive advantages in expressing multiple cracks propagation problem in continuum, but the description of material plastic characteristics by current DEM is restricted by the connection model, which is the core procedure in DEM modeling process. A Godunov‐type continuum‐based DEM model is proposed to solve the dynamic response of materials under high‐speed impact, in which there is a state transition of material model from continuous to discontinuous. In this article, under the framework of DEM, the contact discontinuity between adjacent elements is analyzed with the Godunov method, and a connection model derived from the physical process is established. Firstly, the numerical solution of the Riemann problem, which is equivalent to the plane wave collision operator, is solved by an iterative method, and an explicit time‐marching integral format for the dynamic impact problem in elastic‐viscoplastic materials is derived. Then, the numerical model is validated by comparing the calculation results with theoretical results, using a wave propagation example in plate. In addition, the capacity of simulating material property discontinuity and multiple cracks are validated by cases of stress wave transmission and reflection at the materials interface and the cracks capture in Kalthoff dynamic shear test, respectively.
Late isolated central nervous system relapse in childhood B‐cell acute lymphoblastic leukemia treated with intensified systemic therapy and delayed reduced dose cranial radiation: A report from the Children's Oncology Group study AALL02P2
Authors: Hastings Caroline , Chen Yichen , Devidas Meenakshi , Ritchey A. Kim , Winick Naomi J. , Carroll William L. , Hunger Stephen P. , Wood Brent L. , Marcus Robert B. , Barredo Julio C. 
Published: July 2021

AbstractBackgroundPatients with late, ≥18 months postdiagnosis, isolated central nervous relapse (iCNS‐R) of B‐acute lymphoblastic leukemia (ALL) have excellent outcomes with chemotherapy plus cranial radiotherapy, with 5‐year overall survival (OS) approaching 80% in POG 9412. Subsequent relapse and radiation‐related morbidity remain the causes of treatment failure and long‐term sequelae. COG AALL02P2 aimed to maintain outcomes in patients with late iCNS‐R using intensified chemotherapy and a decrease in cranial irradiation from 1800 to 1200 cGy.ProceduresCOG AALL02P2 enrolled 118 eligible patients with B‐cell ALL (B‐ALL) and late iCNS‐R who received intensified systemic therapy, triple intrathecal chemotherapy, and 1200 cGy cranial irradiation delivered at 12 months, with maintenance chemotherapy continuing until 104 weeks postdiagnosis.ResultsThe 3‐year event‐free survival (EFS) and OS were 64.3% ± 4.5% and 79.6% ± 3.8%, with 46.1% (18/39) of second relapses including the CNS. Of the 112 patients who completed therapy, 78 received protocol‐specified radiation. Study enrollment was closed after interim monitoring analysis showed inferior EFS compared to POG 9412. Patients with initial NCI standard‐risk classification fared better than high‐risk patients.ConclusionsCOG AALL02P2 showed inferior EFS but similar OS compared to POG 9412. Limitations included a small sample size, more intensive prior therapies, and a significant number of patients (34/118, 29%) who did not receive protocol‐directed radiation due to early relapse prior to 1 year or did not otherwise follow the treatment plan. New approaches are needed to improve outcome for these patients and determine the optimal timing and dose of cranial radiation in the treatment of iCNS‐R.
Utility of fetal whole exome sequencing in the etiological evaluation and outcome of nonimmune hydrops fetalis
Authors: Correa Alec Reginald Errol , Naini Kamal , Mishra Pallavi , Dadhwal Vatsla , Agarwal Ramesh , Shukla Rashmi , Kabra Madhulika , Gupta Neerja 
Published: July 2021

AbstractIntroductionNonimmune hydrops fetalis (NIHF) has varied etiology. We assessed the etiological spectrum and evaluated the utility of fetal whole exome sequencing (fWES) for the diagnosis of NIHF.MethodsIn this prospective cohort study, we evaluated antenatally diagnosed fetuses with NIHF between July 2018 and December 2019 according to the routine diagnostic algorithm. Fetuses that remained undiagnosed after routine NIHF workup were subjected to fetal chromosomal microarray and/or WES. Pregnancies were followed up for clinical outcomes.ResultsOf the 45 fetuses, consanguinity and recurrent hydrops fetalis were observed in 13.3% (6/45) and 28.8% (13/45), respectively. Overall, an etiological diagnosis was possible in 75.5% (34/45) of fetuses, while the cause remained unknown in 24.4% (11/45). A genetic etiology was identified in 46.6% (21/45): aneuploidy and monogenic disorders in 28.8% (13/45) and 17.8% (8/45), respectively. fWES on 19 fetuses detected disease‐causing variants in 42.1% (8/19). Nine novel variants were detected in RAPSN, ASCC1, NEB, PKD1L1, GUSB, and PIEZO1. Only 8.8% (4/45) of the cohort survived without morbidity.ConclusionsThis study describes the etiological spectrum and the disease‐causing variants in an Indian cohort of hydropic fetuses.
Side‐chain amino‐acid‐based polymers: self‐assembly and bioapplications
Authors: Nayak Kasturee , Ghosh Pooja , Khan Md Ezaz Hasan , De Priyadarsi 
Published: July 2021

AbstractThe design and development of side‐chain amino‐acid‐based polymeric nanostructures have attracted a significant research interest as they bring a remarkable revolution in various territories of the biomedical field. The incorporation of amino acid moieties into the side chain of synthetic polymeric scaffolds exhibits several beneficial properties like aqueous solubility, chiral recognition, high biocompatibility, stimuli responsiveness, antifouling properties, as well as their capability to form higher ordered self‐assembled architectures. Considering the important features and widespread applications of side‐chain amino‐acid‐containing polymers, here we shed light on the self‐assembled characteristics of side‐chain amino‐acid‐containing polymers and their implications. The primary aim of this review article is to highlight the recent achievements of this bright area of research. We describe the numerous aspects of side‐chain amino‐acid‐containing polymers focusing mainly on self‐assembly properties and the biomedical applications, which include drug and gene delivery, antimicrobial activity, antifouling coating, wound healing, tissue engineering etc. © 2021 Society of Industrial Chemistry.
Study of crystal structure and properties of poly(vinylidene fluoride)/graphene composite fibers
Authors: Yan Jingjing , Xiao Changfa , Huang Yan , Zhang Tai 
Published: July 2021

AbstractPoly(vinylidene fluoride) (PVDF) nascent composite fibers were prepared through the melt‐spinning method with different graphene (GE) contents, following which post‐stretched composite fibers were obtained using a post‐stretching process under thermal treatment condition. The effects of GE content and post‐stretching ratio on the crystal structure and properties of the fibers were investigated in order to obtain PVDF composite fibers with high β crystal content and high hydrophobicity and oleophilicity. The results indicated that the addition of GE led to some extent to an improvement in the content of β crystals and the orientation of crystals. Furthermore, the addition of GE obviously improved the mechanical properties, hydrophobicity and oleophilicity of nascent composite fibers. The post‐stretching ratio had a significant influence on the transition of the crystal phase from α to β and the orientation of crystals. In addition, the post‐stretching played a positive role in enhancement of mechanical properties and hydrophobicity. When 5 wt% GE was added and the post‐stretching ratio was 6, PVDF composite fibers with high β crystal content, super‐oleophilicity and high hydrophobicity could be obtained. The β crystal content of PVDF composite fibers could reach 62.8%, oil contact angle was 0° and water contact angle was 116.0°. © 2021 Society of Industrial Chemistry.
Effects of fadolmidine, an α2‐adrenoceptor agonist, as an adjuvant to spinal bupivacaine on antinociception and motor function in rats and dogs
Authors: Leino Tiina , Viitamaa Timo , Salonen Jarmo S. , Pesonen Ullamari , Haapalinna Antti 
Published: July 2021

Abstractα2‐Adrenoceptor agonists such as clonidine and dexmedetomidine are used as adjuvants to local anesthetics in regional anesthesia. Fadolmidine is an α2‐adrenoceptor agonist developed especially as a spinal analgesic. The current studies investigate the effects of intrathecally administered fadolmidine with a local anesthetic, bupivacaine, on antinociception and motor block in conscious rats and dogs. The antinociceptive effects of intrathecal fadolmidine and bupivacaine alone or in combination were tested in the rat tail‐flick and the dog's skin twitch models. The durations of motor block in rats and in dogs were also assessed. In addition, the effects on sedation, mean arterial blood pressure, heart rate, respiratory rate and body temperature were evaluated in telemetrized dogs. Concentrations of fadolmidine in plasma and spinal cord were determined after intrathecal and intravenous administration in rats. Co‐administration of intrathecal fadolmidine with bupivacaine increased the magnitude and duration of the antinociceptive effects and prolonged motor block without hypotension. The interaction of the antinociceptive effect was synergistic in its nature in rats. Concentration of fadolmidine in plasma was very low after intrathecal dosing. Taken together, these studies show that fadolmidine as an adjuvant to intrathecal bupivacaine provides enhanced sensory‐motor block and enables a reduction of the doses of both drugs. The results indicate that co‐administration of fadolmidine with intrathecal bupivacaine was able to achieve an enhanced antinociceptive effect without hypotension and could thus represent a suitable combination for spinal anesthesia.
Binding interactions with sevelamer and polystyrene sulfonate in vitro
Authors: van Berlo‐van de Laar Inge R.F. , Prins‐Can Ilona , de Lange Aliesa A. , Taxis Katja , Jansman Frank G.A. 
Published: July 2021

AbstractThis study explored the binding of 28 drugs, which were selected based on frequency of concomitant use and chemical properties, to sevelamer and polystyrene sulfonate in vitro. The relative binding was determined by dissolving the investigated drugs alone (=control), together with 800 mg of sevelamer and 15 g of polystyrene sulfonate at different pH levels (1.5, 5.5, and 7.4), respectively. After incubation at 37℃ and shaking for 60 min, the solutions were diluted and centrifuged, and the drug concentrations were quantified with validated analytical assays. The binding assays were performed in threefold. The mean relative binding (MRB) at each pH level was calculated, with a MRB >20% for at least one pH level to be considered as relevant binding. Fourteen and 23 potentially new binding interactions were identified with sevelamer and polystyrene sulfonate, respectively. These potentially new binding interactions have to be studied in vivo to assess their clinical relevance.
Switching TNFα inhibitors: Patterns and determinants
Authors: Meijboom Rosanne W. , Gardarsdottir Helga , Becker Matthijs L. , de Groot Mark C. H. , Movig Kris L. L. , Kuijvenhoven Johan , Egberts Toine C. G. , Leufkens Hubert G. M. , Giezen Thijs J. 
Published: July 2021

AbstractThe aim of this study was to assess switching patterns and determinants for switching in patients initiating TNFα inhibitor (TNFα‐i) treatment. Patients were included who started TNFα‐i treatment between July 1, 2012 and December 31, 2017, from three Dutch hospitals, and were diagnosed with rheumatic diseases (RD), inflammatory bowel disease (IBD), or psoriasis. Outcomes were switching, defined as initiating another biological; switching patterns including multiple switches until the end of follow‐up; determinants for first switch, assessed using multivariate logistic regression. A total of 2228 patients were included (median age 43.3 years, 57% female), of which 52% (n = 1155) received TNFα‐i for RD, 43% (n = 967) for IBD, and 5% (n = 106) for psoriasis. About 16.6% of RD patients, 14.5% of IBD patients, and 16.0% of psoriasis patients switched at least once, mainly to another TNFα‐i. TNFα‐i dose escalation (OR 13.78, 95% CI 1.40–135.0) and high‐dose corticosteroids initiation (OR 3.62, 95% CI 1.10–12.15) were determinants for switching in RD patients. TNFα‐i dose escalation (OR 8.22, 95% CI 3.76–17.93), immunomodulator initiation/dose escalation (OR 2.13, 95% CI 1.04–4.34), high‐dose corticosteroids initiation (OR 6.91, 95% CI 2.81–17.01) and serum concentration measurement (OR 5.44, 95% CI 2.74–10.79) were determinants for switching in IBD patients. Switching biological treatment occurred in about one in six patients. RD patients with TNFα‐i dose escalation and/or high‐dose corticosteroids initiation were more likely to switch. IBD patients with TNFα‐i or immunomodulator initiation/dose escalation, high‐dose corticosteroids initiation or serum concentration measurement were more likely to switch. These findings might help clinicians anticipating switching in TNFα‐i treatment.
Population genomics of Digitaria insularis from soybean areas in Brazil
Authors: Gonçalves Netto Acácio , Cordeiro Erick MG , Nicolai Marcelo , de Carvalho Saul JP , Ovejero Ramiro Fernando Lopez , Brunharo Caio ACG , Zucchi Maria I , Christoffoleti Pedro J 
Published: July 2021

AbstractBACKGROUNDDigitaria insularis is a weed species that has gained considerable importance in Brazil's soybean production areas that rely on glyphosate‐resistant cultivars. Herbicide‐resistant weed populations of this species have been reported in many regions in Brazil, first in the south, followed by later reports in the north. We hypothesized that the spread of herbicide‐resistant D. insularis is facilitated by movement of agricultural machinery from the southern regions of Brazil.RESULTSPopulation genomics revealed a weak or no genetic structure (FST = [0; 0.16]), moderate expected heterozygosity (HE = 0.15; 0.44) and low inbreeding (FIS = [−0.1; 0.1]) in D. insularis populations. Our data supported the hypothesis that herbicide resistance gene flow predominantly occurred in a south‐to‐north direction based on a migration analysis. We also found evidence of local adaptation of resistant populations in the northern soybean‐growing regions of Brazil.CONCLUSIONEvidence in our work suggests that gene flow of glyphosate‐resistant D. insularis is associated with movement of agricultural machinery, although local selection pressure seems to play an important role in the evolution of herbicide resistance throughout the country. Our results suggest preventive practices such as equipment sanitation should be implemented to limit the spread of herbicide resistant D. insularis. © 2021 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Confidence intervals of prediction accuracy measures for multivariable prediction models based on the bootstrap‐based optimism correction methods
Authors: Noma Hisashi , Shinozaki Tomohiro , Iba Katsuhiro , Teramukai Satoshi , Furukawa Toshi A. 
Published: July 2021

AbstractIn assessing prediction accuracy of multivariable prediction models, optimism corrections are essential for preventing biased results. However, in most published papers of clinical prediction models, the point estimates of the prediction accuracy measures are corrected by adequate bootstrap‐based correction methods, but their confidence intervals are not corrected, for example, the DeLong's confidence interval is usually used for assessing theC‐statistic. These naïve methods do not adjust for the optimism bias and do not account for statistical variability in the estimation of parameters in the prediction models. Therefore, their coverage probabilities of the true value of the prediction accuracy measure can be seriously below the nominal level (eg, 95%). In this article, we provide two generic bootstrap methods, namely, (1) location‐shifted bootstrap confidence intervals and (2) two‐stage bootstrap confidence intervals, that can be generally applied to the bootstrap‐based optimism correction methods, that is, the Harrell's bias correction, 0.632, and 0.632+ methods. In addition, they can be widely applied to various methods for prediction model development involving modern shrinkage methods such as the ridge and lasso regressions. Through numerical evaluations by simulations, the proposed confidence intervals showed favorable coverage performances. Besides, the current standard practices based on the optimism‐uncorrected methods showed serious undercoverage properties. To avoid erroneous results, the optimism‐uncorrected confidence intervals should not be used in practice, and the adjusted methods are recommended instead. We also developed the R packagepredbootfor implementing these methods (https://github.com/nomahi/predboot). The effectiveness of the proposed methods are illustrated via applications to the GUSTO‐I clinical trial.
Controlling Movement at Nanoscale: Curvature Driven Mechanotaxis
Authors: Machado Leonardo D. , Bizao Rafael A. , Pugno Nicola M. , Galvão Douglas S. 
Published: July 2021

AbstractLocating and manipulating nano‐sized objects to drive motion is a time and effort consuming task. Recent advances show that it is possible to generate motion without direct intervention, by embedding the source of motion in the system configuration. In this work, an alternative manner to controllably displace nano‐objects without external manipulation is demonstrated, by employing spiral‐shaped carbon nanotube (CNT) and graphene nanoribbon structures (GNR). The spiral shape contains smooth gradients of curvature, which lead to smooth gradients of bending energy. It is shown that these gradients as well as surface energy gradients can drive nano‐oscillators. An energy analysis is also carried out by approximating the carbon nanotube to a thin rod and how torsional gradients can be used to drive motion is discussed. For the nanoribbons, the role of layer orientation is also analyzed. The results show that motion is not sustainable for commensurate orientations, in which AB stacking occurs. For incommensurate orientations, friction almost vanishes, and in this instance, the motion can continue even if the driving forces are not very high. This suggests that mild curvature gradients, which can already be found in existing nanostructures, could provide mechanical stimuli to direct motion.
Wood‐Derived, Conductivity and Hierarchical Pore Integrated Thick Electrode Enabling High Areal/Volumetric Energy Density for Hybrid Capacitors
Authors: Wang Feng , Liu Xiaolin , Duan Gaigai , Yang Haoqi , Cheong Jun Young , Lee Jiyoung , Ahn Jaewan , Zhang Qian , He Shuijian , Han Jingquan , Zhao Yan , Kim Il‐Doo , Jiang Shaohua 
Published: July 2021

AbstractFor the proliferation of the supercapacitor technology, it is essential to attain superior areal and volumetric performance. Nevertheless, maintaining stable areal/volumetric capacitance and rate capability, especially for thick electrodes, remains a fundamental challenge. Here, for the first time, a rationally designed porous monolithic electrode is reported with high thickness of 800 µm (46.74 mg cm−2, with high areal mass loading of NiCo2S4 6.9 mg cm−2) in which redox‐active Ag nanoparticles and NiCo2S4 nanosheets are sequentially decorated on highly conductive wood‐derived carbon (WC) substrates. The hierarchically assembled WC@Ag@NiCo2S4 electrode exhibits outstanding areal capacitance of 6.09 F cm−2 and long‐term stability of 84.5% up to 10 000 cycles, as well as exceptional rate capability at 50 mA cm−2. The asymmetric cell with an anode of WC@Ag and a cathode of WC@Ag@NiCo2S4 delivers areal/volumetric energy density of 0.59 mWh cm−2/3.93 mWh cm−3, which is much‐improved performance compared to those of most reported thick electrodes at the same scale. Theoretical calculations verify that the enhanced performance could be attributed to the decreased adsorption energy of OH− and the down‐shifted d‐band of Ag atoms, which can accelerate the electron transport and ion transfer.
The Longer Route can be Better: Electrosynthesis in Extended Path Flow Cells
Authors: Brown Richard C. D. 
Published: July 2021

AbstractThis personal account provides an overview of work conducted in my research group, and through collaborations with other chemists and engineers, to develop flow electrolysis cells and apply these cells in organic electrosynthesis. First, a brief summary of my training and background in organic synthesis is provided, leading in to the start of flow electrosynthesis in my lab in collaboration with Derek Pletcher. Our work on the development of extended path electrolysis flow reactors is described from a synthetic organic chemist's perspective, including laboratory scale‐up to give several moles of an anodic methoxylation product in one day. The importance of cell design is emphasised with regards to achieving good performance in laboratory electrosynthesis with productivities from hundreds of mg h−1to many g h−1, at high conversion in a selective fashion. A simple design of recycle flow cell that can be readily constructed in a small University workshop is also discussed, including simple modifications to improve cell performance. Some examples of flow electrosyntheses are provided, including Shono‐type oxidation, anodic cleavage of protecting groups, Hofer‐Moest reaction of cubane carboxylic acids, oxidative esterification and amidation of aldehydes, and reduction of aryl halides.