bluuebunny/crossref_metadata_2025_split huggingface dataset:
The biomechanics of subscapularis repair in reverse shoulder arthroplasty: The effect of lateralization and insertion site
Authors: Eno Jonathan‐James T. , Kontaxis Andreas , Novoa‐Boldo Alejandro , Windsor Eric , Chen Xiang , Erickson Brandon J. , Warren Russell F. , Dines David M. , Dines Joshua S. , Gulotta Lawrence V. , Taylor Samuel A. 
Published: November 2019

ABSTRACTFunctional outcomes of subscapularis (SSc) repair following reverse shoulder arthroplasty (RSA) remains controversial. SSc repair in combination with glenosphere lateralization was reported to yield worse clinical outcomes compared with the non‐lateralized glenosphere. The aim of this biomechanical study was to investigate how glenosphere lateralization and different re‐insertion sites can affect the biomechanics of the SSc after RSA. Nine patient‐specific RSA shoulder models were created from patients' computed tomography scans. Moment arms and SSc length were calculated for abduction, forward flexion, and internal rotation in 20° and 90° abduction for three configurations of glenosphere lateralization (standard/+0, +5, and +10 mm) and three SSc repair sites (native, superior, and inferior) and compared with the native shoulder. When compared with the native shoulder, RSA resulted in large adducting SSc moment arms that were antagonistic to the deltoid. Glenosphere lateralization had no effect on SSc moment arms in any motion. However, lateralization increased SSc tension beyond its anatomic length for +5 and +10 mm of lateralization when attached to its native insertion. A superior SSc repair site created the least adductive moment arm as well as the least amount of SSc lengthening. Increased glenosphere lateralization showed a significant increase in the SSc length, which in combination with its adductive moment arm can be antagonistic to deltoid function. However, a superior SSc repair site may help reduce the adductive SSc moment arm and allow for reduced tension on the repair as its length in that location is less than that of the native SSc. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 38:888‐894, 2020
Exploring the environmental strategy of big energy companies to drive sustainability
Authors: Ruka Anna , Rashidirad Mona 
Published: November 2019

AbstractThe purpose of this research is to provide an in‐depth evaluation of the environmental strategy of the biggest energy companies to drive sustainability, i.e., for both business and the environment as a collective entity. Rooted in the theory of Corporate Social Responsibility (CSR), a secondary data analysis was conducted on the top five energy companies (i.e., British Petroleum (BP), Exxon Mobil, Gazprom, Sinopec and Saudi Aramco) as published by Enercom (2016) to investigate their approach to sustainable development. To do so, each company's environmental strategy was evaluated in order to gain a clear understanding of their implemented procedures for sustainable development towards future. This research paper gives an insight into the main energy companies' impact on nature and assesses how sustainable their strategies are towards environmental issues. Through this evaluation, we clearly identified how climate change forces companies to be responsible towards society, the economy, and the environment. This study's finding contributes to the present body of knowledge and highlights how the big energy companies have taken responsibility for their actions towards environmental issues.
Vitis vinifera Turkish grape cultivar Karaerik. Part I: anthocyanin composition, and identification of a newly found anthocyanin†
Authors: Hermosín‐Gutiérrez Isidro , Gómez‐Alonso Sergio , Pérez‐Navarro José , Kurt Aynur , Colak Nesrin , Akpınar Erdal , Hayirlioglu‐Ayaz Sema , Ayaz Faik Ahmet 
Published: November 2019

AbstractBACKGROUNDGrape berries exhibit various beneficial health effects due to the potent antioxidant roles of their phenolic compounds. A new Vitis vinifera grape cultivar (Karaerik) grown in Turkey has attracted growing interest due to its antioxidant phenolic compounds, which have still not been investigated. The phenolic/anthocyanin profile needs to be investigated to ascertain its potential health benefits and market value in the region. The present study therefore involves a detailed characterization of the anthocyanin composition of ‘Karaerik’ grape berries in conjunction with a determination of the antioxidant capacity value of the phenolics present in the skin and the whole berry.RESULTSTotal phenolic compounds (average 8.56 and 2.88 g gallic acid equivalent kg−1 fresh weight) and anthocyanin (7.48 and 1.66 g mv‐3‐glc equivalent kg−1 fresh weight) contents varied significantly in the skin and whole berry. Malvidin‐based anthocyanins made the highest contribution to the pigment content of the berry. Accordingly, the major anthocyanin in the skin (average 42.08 mol%) and whole berry (39.98 mol%) was malvidin‐3‐glucoside (mv‐3‐glc). In addition, we found strong evidence of the occurrence of sometimes reported malvidin‐3‐pentoside and particularly of the not previously reported feruloyl derivative of malvidin‐3‐(6″‐feruloyl)‐glucoside (mv‐3‐ferglc) for V. vinifera grapes.CONCLUSIONThe current study is the first report to profile the anthocyanins of the grape with a detailed description of the rare and novel anthocyanin in V. vinifera grapes. The berry is also a potential source of phenolics/anthocyanins with a high antioxidant capacity value and is worthy of comparison with other V. vinifera grapes. © 2019 Society of Chemical Industry
Aroma compounds in mini‐watermelon fruits from different grafting combinations
Authors: Tripodi Gianluca , Condurso Concetta , Cincotta Fabrizio , Merlino Maria , Verzera Antonella 
Published: November 2019

AbstractBACKGROUNDIn recent years, mini‐watermelons have increased in popularity. To maintain production and quality standards, various agronomic techniques have been applied. For the Cucurbitaceae family, grafting technique has been used to improve resistance to abiotic stresses, crop productivity and fruit qualitative characteristics. There is some previous literature on this matter, but no information on the influence of grafting on the aroma compounds of mini‐watermelons is available. Hence, our research aimed to evaluate the effect of some rootstocks, which were selected on the basis of their tolerance to pathogens, on the quality of mini‐watermelons, with particular attention to the volatile aroma compounds.RESULTSVolatile aroma compounds were analysed using solid‐phase microextraction–gas chromatography–mass spectrometry. The most represented compounds were C6 and C9 aldehydes and alcohols, which characterize the fruit aroma of the Cucurbitaceae family: (Z)‐2‐nonenal, (E,Z)‐2,6‐nonadienal, (Z)‐3‐nonen‐1‐ol and (Z,Z)‐3,6‐nonadien‐1‐ol were prevalent. Quantitative differences resulted in relation to the various selected rootstocks. Among these, the RS841 rootstock was found to be the most suitable for maintaining yield, quality parameters, sensory characteristics and volatile aroma compounds of mini‐watermelon fruits.CONCLUSIONSThe results highlighted that the rootstock, as for other Cucurbitaceae varieties, influences fruit quality and plant yield also for the mini‐water melon; the results show the importance of screening for rootstock/scion combinations in order to select a graft able to provide resistance to abiotic stresses, and at the same time improve yield and fruit quality. © 2019 Society of Chemical Industry
Physiological and genomic features of Paraoceanicella profunda gen. nov., sp. nov., a novel piezophile isolated from deep seawater of the Mariana Trench
Authors: Liu Ping , Ding Wanzhen , Lai Qiliang , Liu Rulong , Wei Yuli , Wang Li , Xie Zhe , Cao Junwei , Fang Jiasong 
Published: November 2019

AbstractA novel piezophilic alphaproteobacterium, strain D4M1T, was isolated from deep seawater of the Mariana Trench. 16S rRNA gene analysis showed that strain D4M1T was most closely related to Oceanicella actignis PRQ‐67T (94.2%), Oceanibium sediminis O448T (94.2%), and Thioclava electrotropha ElOx9T (94.1%). Phylogenetic analyses based on both 16S rRNA gene and genome sequences showed that strain D4M1T formed an independent monophyletic branch paralleled with the genus Oceanicella in the family Rhodobacteraceae. Cells were Gram‐stain‐negative, aerobic short rods, and grew optimally at 37°C, pH 6.5, and 3.0% (w/v) NaCl. Strain D4M1T was piezophilic with the optimum pressure of 10 MPa. The principal fatty acids were C18:1 ω7c/C18:1 ω6c and C16:0, major respiratory quinone was ubiquinone‐10, and predominant polar lipids were phosphatidylglycerol, phosphatidylethanolamine, and an unidentified aminophospholipid. The complete genome contained 5,468,583‐bp with a G + C content of 70.2 mol% and contained 4,855 protein‐coding genes and 78 RNA genes. Genomic analysis revealed abundant clues on bacterial high‐pressure adaptation and piezophilic lifestyle. The combined evidence shows that strain D4M1T represents a novel species of a novel genus in the family Rhodobacteraceae, for which the name Paraoceanicella profunda gen. nov., sp. nov. is proposed (type strain D4M1T = MCCC 1K03820T = KCTC 72285T).
Integrating soft and hard dose‐volume constraints into hierarchical constrained IMRT optimization
Authors: Mukherjee Sovanlal , Hong Linda , Deasy Joseph O. , Zarepisheh Masoud 
Published: November 2019

PurposeDose‐volume constraints (DVCs) continue to be common features in intensity‐modulated radiation therapy (IMRT) prescriptions, but they are non‐convex and difficult to incorporate. We propose computationally efficient methods to incorporate dose‐volume constraints (DVCs) into automated IMRT planning.MethodsWe propose a two‐phase approach: in phase‐1, we solve a convex approximation with DVCs. Although this convex approximation does not guarantee DVC satisfaction, it provides crucial initial information about voxels likely to receive doses below DVC thresholds. Subsequently, phase‐2 solves an optimization problem with maximum dose constraints imposed on those subthreshold voxels. We further categorize DVCs into hard‐ and soft‐DVCs, where hard‐DVCs are strictly enforced by the optimization and soft‐DVCs are encouraged in the objective function. We tested this approach in our automated treatment planning system which is based on hierarchical constrained optimization. Performance is demonstrated on a series of paraspinal, lung, oligometastasis, and prostate cases as well as a small paraspinal case for which we can computationally afford to obtain a ground‐truth by solving a non‐convex optimization problem.ResultsThe proposed algorithm successfully meets all the hard‐DVCs while increasing the overall computational time of the baseline planning process (without DVCs) by 20%, 10%, and 11% for paraspinal, oligometastasis, and prostate cases, respectively. For a soft‐DVC applied to the lung case, the dose‐volume histogram curve moves toward the desired direction and the computational time is increased by 11%. For a low‐resolution paraspinal case, the ground‐truth solution process using mixed‐integer programming methods required 15 h while the proposed algorithm converges in only 2 min with a proximal solution.ConclusionsA computationally tractable algorithm to handle hard‐ and soft‐DVCs is developed which is capable of satisfying DVCs without any parameter tweaking. Although the algorithm is demonstrated in our in‐house developed automated treatment planning system, it can potentially be used in any constrained optimization framework.
Improved fetal blood oxygenation and placental estimated measurements of diffusion‐weighted MRI using data‐driven Bayesian modeling
Authors: Flouri Dimitra , Owen David , Aughwane Rosalind , Mufti Nada , Maksym Kasia , Sokolska Magdalena , Kendall Giles , Bainbridge Alan , Atkinson David , Vercauteren Tom , Ourselin Sebastien , David Anna L. , Melbourne Andrew 
Published: November 2019

PurposeMotion correction in placental DW‐MRI is challenging due to maternal breathing motion, maternal movements, and rapid intensity changes. Parameter estimates are usually obtained using least‐squares methods for voxel‐wise fitting; however, they typically give noisy estimates due to low signal‐to‐noise ratio. We introduce a model‐driven registration (MDR) technique which incorporates a placenta‐specific signal model into the registration process, and we present a Bayesian approach for Diffusion‐rElaxation Combined Imaging for Detailed placental Evaluation model to obtain individual and population trends in estimated parameters.MethodsMDR exploits the fact that a placenta signal model is available and thus we incorporate it into the registration to generate a series of target images. The proposed registration method is compared to a pre‐existing method used for DCE‐MRI data making use of principal components analysis. The Bayesian shrinkage prior (BSP) method has no user‐defined parameters and therefore measures of parameter variation in a region of interest are determined by the data alone. The MDR method and the Bayesian approach were evaluated on 10 control 4D DW‐MRI singleton placental data.ResultsMDR method improves the alignment of placenta data compared to the pre‐existing method. It also shows a further reduction of the residual error between the data and the fit. BSP approach showed higher precision leading to more clearly apparent spatial features in the parameter maps. Placental fetal oxygen saturation (FO2) showed a negative linear correlation with gestational age.ConclusionsThe proposed pipeline provides a robust framework for registering DW‐MRI data and analyzing longitudinal changes of placental function.
Remote Control of the Synthesis of a [2]Rotaxane and its Shuttling via Metal‐Ion Translocation
Authors: Paul Indrajit , Ghosh Amit , Bolte Michael , Schmittel Michael 
Published: November 2019

AbstractRemote control in an eight‐component network commanded both the synthesis and shuttling of a [2]rotaxane via metal‐ion translocation, the latter being easily monitored by distinct colorimetric and fluorimetric signals. Addition of zinc(II) ions to the red colored copper‐ion relay station rapidly liberated copper(I) ions and afforded the corresponding zinc complex that was visualized by a bright sky blue fluorescence at 460 nm. In a mixture of all eight components of the network, the liberated copper(I) ions were translocated to a macrocycle that catalyzed formation of a rotaxane by a double‐click reaction of acetylenic and diazide compounds. The shuttling frequency in the copper‐loaded [2]rotaxane was determined to k298=30 kHz (ΔH≠=62.3±0.6 kJ mol−1, ΔS≠=50.1±5.1 J mol−1 K−1, ΔG≠298=47.4 kJ mol−1). Removal of zinc(II) ions from the mixture reversed the system back generating the metal‐free rotaxane. Further alternate addition and removal of Zn2+ reversibly controlled the shuttling mode of the rotaxane in this eight‐component network where the ion translocation status was monitored by the naked eye.
Genetic Polymorphisms in Antioxidant Enzymes Modulate the Susceptibility of Idiosyncratic Antituberculous Drug‐Induced Liver Injury and Treatment Outcomes in Patients with Tuberculosis
Authors: Sun Qin , Sha Wei , Liu Hai‐peng , Wang Peng , Liu Zhi‐bin , Sun Wen‐wen , Xiao He‐ping 
Published: November 2019

BackgroundThe pathogenic mechanism of antituberculous drug‐induced liver injury (ATDILI) is associated with antioxidant enzymes. The objective of the present study was to investigate the associations of ATDILI susceptibility with genetic polymorphisms of antioxidant enzyme genes including nitric oxide synthase 2 (NOS2), thioredoxin reductase 1 (TXNRD1), superoxide dismutase 2 (SOD2), BTB domain and CNC homolog 1 (BACH1), and MAF bZIP transcription factor K (MAFK).MethodsThirty tag single nucleotide polymorphisms (tag‐SNPs) from the all candidate genes were genotyped in a 2‐stage cohort study including an initial discovery stage with 461 ATDILI patients and 466 controls and a replication stage with 216 ATDILI patients and 432 controls. The frequencies and distributions of genotypes and haplotypes were compared between the case and control groups. Three different genetic models including dominant, recessive, and additive models were used to determine the associations with susceptibility to ATDILI.ResultsThe SNPs rs9906835, rs944725, and rs3794764 of the NOS2 gene were significantly associated with an increased risk of ATDILI. The MAFK rs3735656 SNP was significantly associated with a decreased risk for ATDILI. The AAA haplotype of the NOS2 gene was associated with susceptibility to ATDILI. The treatment outcomes of patients with tuberculosis were further affected by genetic variants of the NOS2 and MAFK genes.ConclusionsGenetic polymorphisms of NOS2 and MAFK are associated with ATDILI susceptibility in Chinese patients with tuberculosis. The variants in NOS2 and MAFK affect treatment outcomes of tuberculosis patients. Further studies are needed to better understand the molecular mechanisms of ATDILI susceptibility via regulation of the expression of ATDILI‐susceptibility genes and proteins.
Labels of insecticides to which Oregon honey bee (Apis mellifera L.) hives could be exposed do not align with federal recommendations in their communication of acute and residual toxicity to honey bees
Authors: Bucy Matthew T. , Melathopoulos Andony 
Published: November 2019

AbstractBACKGROUNDTeaching pesticide applicators how to determine a product's toxicity to honey bees (Apis mellifera L.) by understanding the label is a way to reduce honey bee exposure to pesticides. Applicators are currently taught how to interpret labels that follow the United States Environmental Protection Agency's (USEPA's) recommendations for how this toxicity should be communicated. To effectively educate applicators, it must be determined if labels follow USEPA recommendations in how they communicate toxicity to honey bees, and if they do not, what patterns exist in these deviations from the recommendations (hereafter, deviations).RESULTSAs a case study, we analyzed the USEPA master labels of insecticides used in 16 situations where there is concern over Oregon honey bee colony exposure to pesticides. Of the 232 labels analyzed, 31.5% deviated from USEPA recommendations in at least one way. Labels of both commercial and garden products deviated from USEPA recommendations. Products with labels that deviated from USEPA recommendations were found across application situation and active ingredient subgroup. The percentage of products per application situation and per chemical subgroup whose label deviated from USEPA recommendations varied. The most common deviation represented a direct contradiction between the statement used and the toxicity class of the product's active ingredient.CONCLUSIONApplicators will be underprepared to interpret the pesticide labels they see in the field if they are exclusively taught how to interpret labels that follow USEPA recommendations. Applicators should be taught how to interpret a product label that uses non‐USEPA‐recommended statements to communicate toxicity to honey bees. © 2019 Society of Chemical Industry
Reduced eigensystem representation of the linear density‐density response function
Authors: Dreßler Christian , Sebastiani Daniel 
Published: November 2019

AbstractThe linear density‐density response function represents a formulation of the generalized density response of a molecular (or extended) system to arbitrary perturbing potentials. We have recently established an approach for reducing the dimension of the (in principle infinite) eigenspace representation (the moment expansion) and generalized it to arbitrary self‐adjoint, positive‐definite, and compact linear operators. Here, we present a modified representation—the reduced eigensystem representation—which allows to define a trivial criterion for the convergence of the approximation to the density response. By means of this novel eigensystem‐like structure, the remarkable reduction of the dimensionality becomes apparent for the calculation of the density‐density response function.
Theoretical investigations of spin‐orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO)2]+
Authors: Kang Juanxia , Wang Yongcheng , Wu Jingjing , Zhu Zhiming 
Published: November 2019

AbstractIn order to further explore the detailed reaction mechanism of carbon dioxide activated by [Re(CO)2]+ complex, CCSD(T) methods was performed to determine related potential energy surface (PES). Crossing point is determined by using a partially optimized method. The result shows that larger spin‐orbital coupling (155.37 cm−1) and intersystem crossing probabilities in spin‐forbidden region causes the electron to spin flip at the minimum energy crossing point and access to the lower singlet PES. Nonadiabatic rate constant k is estimated to be quite rapid, so transition state (1TS1) is rate‐controlled steps. In addition, the electronic structure of oxygen‐atom transfer process is further analyzed by localized molecular orbital and Mayer bond order. The analysis finds that the form of main bonding orbital is the electron contribution from the p(O) in CO2 to the empty d(Re) orbital.
PtPdAg Hollow Nanodendrites: Template‐Free Synthesis and High Electrocatalytic Activity for Methanol Oxidation Reaction
Authors: Zhang Tao , Sun Yiqiang , Li Xuejiao , Li Xinyang , Liu Dilong , Liu Guangqiang , Li Cuncheng , Fan Hong Jin , Li Yue 
Published: November 2019

AbstractTo boost the electrocatalytic activity of metal nanoparticles, it is important to rationally design the composition and surface atomic structure, and develop efficient synthesis protocols. Herein, a facile one‐pot self‐templated method for preparing PtPdAg hollow nanodendrites (HNDs) is deployed. These HNDs possess rich atomic steps and grain boundaries, leading to evidently higher catalytic activity in methanol electrooxidation reaction than commercial Pt black and solid particles with smooth surfaces. From control experiments and density functional theory calculations, it is proven that the tri‐metallic HND has a stronger electronic coupling as compared with the PtPd and PtAg nanoparticles. As a result, the PtPdAg HNDs show high anti‐poison capability and catalytic activity for methanol oxidation reaction. This study provides a new strategy for controllable synthesis of hollow alloy nanocatalysts with high efficiency.
Spectral analysis of New MEXICO standstill measurements to investigate vortex shedding in deep stall
Authors: Khan Muhammad A. , Simão Ferreira Carlos , Schepers Gerard J. , Sørensen Niels N. 
Published: November 2019

AbstractSpectral analysis was performed on the time series data computed from pressure measurements on the New MEXICO (Model Rotor Experiments under Controlled Conditions) rotor in standstill conditions. As a priori, 3D airfoil polars were recreated from standstill measurements and compared against 2D airfoil polars and flat plate theory results to verify the measurements. The spectral analysis revealed the presence of dominant shedding frequencies for certain ranges of the geometric angle of attack. Two dominant shedding modes were identified: One was associated with bluff body vortex shedding, and the other was associated with low Strouhal number shedding. No dominant shedding frequencies were observed for angles of attack beyond 50°. The research improves on our current understanding of the unsteady nature of the stall regime, along with providing insight into the existence of vortex‐induced vibrations on a wind turbine in standstill conditions.