bluuebunny/crossref_metadata_2025_split huggingface dataset:
Local atomic and electronic structure in the LiVPO4(F,O) tavorite‐type materials from solid‐state NMR combined with DFT calculations
Authors: Bamine Tahya , Boivin Edouard , Masquelier Christian , Croguennec Laurence , Salager Elodie , Carlier Dany 
Published: June 2020

Abstract7Li, 31P, and 19F solid‐state nuclear magnetic resonance (NMR) spectroscopy was used to investigate the local arrangement of oxygen and fluorine in LiVPO4F1‐yOy materials, interesting as positive electrode materials for Li‐ion batteries. From the evolution of the 1D spectra versus y, 2D 7Li radiofrequency‐driven recoupling (RFDR) experiments combined, and a tentative signal assignment based on density functional theory (DFT) calculations, it appears that F and O are not randomly dispersed on the bridging X position between two X–VO4–X octahedra (X = O or F) but tend to segregate at a local scale. Using DFT calculations, we analyzed the impact of the different local environments on the local electronic structure. Depending on the nature of the VO4X2 environments, vanadium ions are either in the +III or in the +IV oxidation state and can exhibit different distributions of their unpaired electron(s) on the d orbitals. Based on those different local electronic structures and on the computed Fermi contact shifts, we discuss the impact on the spin transfer mechanism on adjacent nuclei and propose tentative signal assignments. The O/F clustering tendency is discussed in relation with the formation of short VIVO vanadyl bonds with a very specific electronic structure and possible cooperative effect along the chain.
Exercise and education for knee osteoarthritis—What are accredited exercise physiologists providing?
Authors: Ram Adrian , Booth John , Thom Jeanette , Jones Matthew D. 
Published: June 2020

AbstractObjectivesClinical guidelines for the non‐surgical management of knee osteoarthritis (OA) recommend exercise and education. This study aimed to evaluate the extent to which accredited exercise physiologists (AEPs) deliver exercise and education for knee OA and how it aligns with clinical practice guidelines.DesignCross‐sectional survey.MethodAn online survey targeted to AEPs across Australia to understand the exercise and education content of their interventions for knee OA. Likert scale and multiple‐choice questions were used to measure responses relating to exercise prescription. Thematic analysis was used to evaluate the nature of education being delivered by AEPs. The revised neurophysiology of pain questionnaire (r‐NPQ) was used to quantify pain neuroscience knowledge.ResultsA total of 161 AEPs completed the survey (63 men, 98 women; mean experience 5.8 ± 4.7 years). Exercises commonly prescribed included: strength (99% of respondents), weight bearing (90%) and aerobic (83%), with 98% of AEPs prescribing exercise for the affected and unaffected limb. Only 32% of respondents frequently considered prescribing ‘exercise into pain’. The four main education themes were exercise (86%), self‐management (61%), weight loss (56%) and pain management (51%). Specific pain neuroscience education (PNE) was provided by only 21% of respondents.ConclusionsExercise prescription mostly aligned with evidence‐based recommendations. The education component of AEP interventions for knee OA focused on the benefits of exercise. However, other education guideline recommendations about the disease, appropriate treatments and self‐management were underutilised. The PNE knowledge of AEPs was comparable with other secondary care providers, although only a minority of AEPs provide PNE.
Prevalence of the nocturnal polyuria syndrome in men
Authors: Emeruwa Curran J. , Epstein Matthew R. , Michelson Kyle P. , Monaghan Thomas F. , Weiss Jeffrey P. 
Published: June 2020

AbstractAimsNocturnal polyuria (NP) is caused by a wide array of factors, including genitourinary and systemic comorbidities, modifiable behavior, and pharmaceuticals. When an identifying factor is absent, NP may be purely a symptom of the nocturnal polyuria syndrome (NPS) and secondary to blunting of normal arginine vasopressin action within the circadian rhythm. The purpose of this study is to determine the prevalence of NPS in male patients attending a Veterans Affairs outpatient urology clinic.MethodsRetrospective database analysis was performed of voiding diaries from men who had established care for lower urinary tract symptoms from 2007 to 2018. Patients were excluded if they reported fewer than two nocturnal voids on voiding diary analysis or had comorbidity associated with NP. Distinct cutoffs were separately employed to identify NP: nocturnal polyuria index (NPi; calculated as nocturnal urine volume divided by 24‐hour urine volume) greater than 0.33; and nocturnal urine production (NUP) greater than 90 mL/h.ResultsA total of 283 completed voiding diaries were evaluated and 202 patients had ≥2 nocturnal voids. After exclusions, at NPi greater than 33, the floor and ceiling NPS prevalence values were 21% and 41%, respectively. At NUP greater than 90 mL/h, the floor and ceiling NPS prevalence values were 17% and 32%, respectively.ConclusionsThe prevalence of NPS in patients with nocturia in the present study lies between 17% and 41%. NPS constitutes a clinically relevant subgroup of nocturia among male patients in the Veterans Affairs outpatient urology setting.
Upregulated expression and function of the α4β1 integrin in multiple myeloma cells resistant to bortezomib
Authors: Sevilla‐Movilla Silvia , Arellano‐Sánchez Nohemí , Martínez‐Moreno Mónica , Gajate Consuelo , Sánchez‐Vencells Anna , Valcárcel Luis V , Agirre Xabier , Valeri Antonio , Martínez‐López Joaquin , Prósper Felipe , Mollinedo Faustino , Teixidó Joaquin 
Published: June 2020

AbstractThe interaction of multiple myeloma (MM) cells with the bone marrow (BM) microenvironment promotes MM cell retention, survival, and resistance to different anti‐MM agents, including proteasome inhibitors (PIs) such as bortezomib (BTZ). The α4β1 integrin is a main adhesion receptor mediating MM cell–stroma interactions and MM cell survival, and its expression and function are downregulated by BTZ, leading to inhibition of cell adhesion‐mediated drug resistance (CAM‐DR) and MM cell apoptosis. Whether decreased α4β1 expression and activity are maintained or recovered upon development of resistance to BTZ represents an important question, as a potential rescue of α4β1 function could boost MM cell survival and disease progression. Using BTZ‐resistant MM cells, we found that they not only rescue their α4β1 expression, but its levels were higher than in parental cells. Increased α4β1 expression in resistant cells correlated with enhanced α4β1‐mediated cell lodging in the BM, and with disease progression. BTZ‐resistant MM cells displayed enhanced NF‐κB pathway activation relative to parental counterparts, which contributed to upregulated α4 expression and to α4β1‐dependent MM cell adhesion. These data emphasize the upregulation of α4β1 expression and function as a key event during resistance to BTZ in MM, which might indirectly contribute to stabilize this resistance, as stronger MM cell attachment to BM stroma will regain CAM‐DR and MM cell growth and survival. Finally, we found a strong correlation between high ITGB1 (integrin β1) expression in MM and poor progression‐free survival (PFS) and overall survival (OS) during treatment of MM patients with BTZ and IMIDs, and combination of high ITGB1 levels and presence of the high‐risk genetic factor amp1q causes low PFS and OS. These results unravel a novel prognostic value for ITGB1 in myeloma. © 2020 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Investigation of the microwave attenuation performance and structure‐property relationship for graphite‐filled cyclo‐olefin copolymer composites
Authors: Kurt Gökçe , Kasgoz Alper 
Published: June 2020

AbstractThis study examined the morphological, rheological, viscoelastic, electrical, and microwave attenuation properties (RADAR absorbent and EMI shielding) of cyclo‐olefin copolymer (COC) composites prepared with the melt mixing method by using different amounts of graphite (0‐75 phr). Rheological percolation threshold of the graphite was determined as ∼38 phr. The RL analyses of the composites showed that the composites containing a moderate filler content (45 phr) exhibited the best radar absorption performance. Absorption bandwidth and minimum reflection loss (RL)value for the sample containing 45 phr of graphite were determined as 2.335 GHz (10.165‐12.5 GHz) and −39.89 dB, respectively. Total shielding effectiveness (SET) values of the sample including 75 phr of graphite varied in the ranges of 30 to 47.5 dB for the sample thicknesses of 7 mm. The correlation of the microstructural parameters and microwave attenuation properties of the composites indicated that the minimum RL value could be obtained at a filler concentration close to the rheological and electrical percolation thresholds. However, it was also revealed that acceptable shielding effectiveness values for commercial applications could be obtained by the samples with higher filler concentrations than the electrical percolation threshold.
The role of heterointerfaces and subgap energy states on transport mechanisms in silicon heterojunction solar cells
Authors: Procel Paul , Xu Haiyuan , Saez Aurora , Ruiz‐Tobon Carlos , Mazzarella Luana , Zhao Yifeng , Han Can , Yang Guangtao , Zeman Miro , Isabella Olindo 
Published: June 2020

AbstractThe contact resistivity is a key parameter to reach high conversion efficiency in solar cells, especially in architectures based on the so‐called carrier‐selective contacts. The importance of contact resistivity relies on the evaluation of the quality of charge collection from the absorber bulk through adjacent electrodes. The electrode usually consists of a stack of layers entailing complex charge transport processes. This is especially the case of silicon heterojunction (SHJ) contacts. Although it is known that in thin‐film silicon, the transport is based on subgap energy states, the mechanisms of charge collection in SHJ systems is not fully understood yet. Here, we analyse the physical mechanisms driving the exchange of charge among SHJ layers with the support of rigorous numerical simulations that reasonably replicate experimental results. We observe a connection between recombination and collection of carriers. Simulation results reveal that charge transport depends on the alignment and the nature of energy states at heterointerfaces. Our results demonstrate that transport based on direct energy transitions is more efficient than transport based on subgap energy states. Particularly, for positive charge collection, energy states associated to dangling bonds support the charge exchange more efficiently than tail states. The conditions for optimal carrier collection rely on the Fermi energy of the layers, in terms of activation energy of doped layers and carrier concentration of transparent conductive oxide. We observe that fill factor (FF) above 86% concurrently with 750‐mV open circuit voltage can be attained in SHJ solar cells with ρc lower than 45 mΩ·cm2 for p‐contact and 20 mΩ·cm2 for the n‐contact. Furthermore, for achieving optimal contact resistivity, we provide engineering guidelines that are valid for a wide range of silicon materials from amorphous to nanocrystalline layers.
Treatment of Lower Extremity Fractures in Chronic Spinal Cord Injury: A Systematic Review of the Literature
Authors: Huang Donna , Weaver Frances , Obremskey William T. , Ahn Jaimo , Peterson Kimberly , Anderson Johanna , Veazie Stephanie , Carbone Laura D. 
Published: June 2020

ObjectiveTo review the literature regarding outcomes of surgical and nonsurgical management of lower extremity (LE) fractures in chronic spinal cord injury (SCI).TypeSystematic review.Literature SurveyMedline (PubMed), Embase, Cochrane Database of Systemic Reviews, Cochrane Central, Cumulative Index to Nursing and Allied Health Literature, ClinicalTrials.gov, International Clinical Trials Registry Platform, and International Standard Randomized Controlled Trials were searched from January 1, 1966, to March 1, 2019.MethodologySearch was restricted to English language and adults (age ≥ 18 yr). Titles and abstracts were reviewed for relevance to study topics for inclusion. Case reports, reviews, non‐SCI population studies, and studies examining fractures at the time of acute SCI were excluded. References of included articles from the original search and task force and external submissions yielded two additional articles that were included in the review after voting by task force members. Data extraction was performed by four task force members using a data extraction form, glossary, and instructions created in Microsoft Excel. Quality assessment was performed by three methodologists using prespecified criteria.SynthesisTwenty‐three articles were included. Use of surgery to treat LE fractures in chronic SCI has increased, though nonoperative management was still more frequently reported. Regardless of type of management, amputations, nonunion/malunion, and pressure injuries were among the most commonly reported complications. Functional and quality of life outcomes were less frequently reported.ConclusionsThere is insufficient evidence to support operative versus nonoperative management as best practice for management of LE fracture of SCI. Existing literature was limited by small sample sizes, lack of randomization or matched study designs, significant heterogeneity in populations and treatment strategies studied, and variability in defining and reporting outcomes of interest. The field would benefit from future research to address study design issues and standardization of outcome reporting to facilitate comparison of outcomes of operative versus nonoperative management.
Cellular and Clinical Analyses of Autologous Bone Marrow Aspirate Injectate for Knee Osteoarthritis: A Pilot Study
Authors: Wells Kristina , Klein Michael , Hurwitz Nicole , Santiago Kristen , Cheng Jennifer , Abutalib Zafir , Beatty Nicholas , Lutz Gregory 
Published: June 2020

IntroductionKnee osteoarthritis (OA) is characterized by pain and functional deficits. Common conservative strategies include medications, physical therapy, and intra‐articular injections. Recently, treatment using autologous cell injections has increased.ObjectiveTo characterize the cellular content of bone marrow aspirate (BMA) and to evaluate the effect of intra‐articular autologous BMA injections in patients with mild knee OA.DesignProspective pilot observational study.SettingAcademic institution.PatientsEleven patients with unilateral or bilateral mild knee OA (15 knees) were included in the cellular analysis. Ten patients (13 knees) were included in the overall (cellular and clinical) analysis.InterventionsBMA was aspirated from patients’ iliac crests and then injected intra‐articularly under fluoroscopic and/or ultrasound guidance. BMA samples were analyzed using flow cytometry, colony forming unit (CFU) assays, and enzyme‐linked immunosorbent assays. Questionnaires assessing pain and function were administered preinjection and at 1, 3, 6, and 12 months postinjection. Side effects and satisfaction were assessed.Main Outcome MeasuresTotal nucleated cell (TNC) concentration, mesenchymal stem cell (MSC) concentration, CFU count, and interleukin‐1 receptor antagonist (IL‐1Ra) concentration.ResultsBMA sample analyses revealed wide ranges in TNC concentration (173300‐4 491 050 cells/mL), MSC concentration (0‐500 cells/mL), CFUs (0‐19), and IL‐1Ra concentration (2806‐29 394 pg/mL). Improvements in Knee Injury and Osteoarthritis Outcomes Score for Joint Replacement were observed throughout the 12‐month follow‐up period (F[4,12] = 12.29, P < .001). Additionally, current, usual, best, and worst numerical rating scale pain scores significantly decreased over time (P < .001). Patient satisfaction was high (range: 8.1 ± 2.1‐8.8 ± 1.9), and side effects were uncommon.ConclusionsThe cellular content of BMA samples varied widely between patients and was lower than the anticipated yield reported by the device's manufacturer. However, intra‐articular BMA injections for knee OA in a small pilot cohort appeared to be safe with potential therapeutic value. Larger, prospective, double‐blinded studies are warranted.
Atmospheric pressure plasma treatments protect neural cells from ischemic stroke‐relevant injuries by targeting mitochondria
Authors: Yan Xu , Zhang Chenyang , Ouyang Jiting , Shi Zhongfang , Chen Ye , Han Ruoyu , Zhang Wei , Yuan Fang , Ostrikov Kostya (Ken) 
Published: June 2020

AbstractMost studies regarding plasma biomedicine applications mainly focus on the oxidative and/or nitrative stress on bacteria, cancer cells, and other treatment objects. In this study, we evaluate the protective effect of appropriate atmospheric pressure plasma jet (APPJ) treatments on oxygen and glucose deprivation (OGD)‐induced neural cell apoptosis, which is a major pathological process during ischemic stroke, based on the physiological functions of NO. Results show that APPJ treatment reduces the OGD‐induced apoptosis by weakening typical OGD injury consequences including loss of mitochondrial membrane potential, the release of cytochrome c from the mitochondria into the cytoplasm, lower antiapoptotic Bcl‐2 expression, and upregulating the proapoptotic protein Bax. Furthermore, APPJ increased intracellular NO production, which is closely related to the cytoprotective effect of APPJ.
Porous Magnetic Nanoparticles‐Based Electrochemical Biosensor for Determination of Mercury in the Aquatic Environment
Authors: Cui Jinjiang , Dong Ningning , Wang Mingyuan , Jiang Yu , Miao Peng 
Published: June 2020

AbstractFabrication of sensitive and convenient methods for the detection of heavy metal ions is an important task due to their high toxicity to environment and human health. Divalent mercury ions (Hg2+) are a kind of significant public health hazard, which generate harmful toxic effects. In this work, a novel self‐powered biosensor for the quantification of Hg2+ in aqueous solutions is developed. Porous magnetic nanoparticles are synthesized to load electrochemical species and a Hg2+ responsive single‐stranded DNA probe is used to seal them. After specific interaction with target ions, the DNA probe forms a rigid duplex, which can no longer block the pores of the magnetic nanoparticles. The leakage of electrochemical species can then increase the electrochemical response, which is used to indicate the initial concentration of Hg2+. This method shows high sensitivity and selectivity, and can be applied in real water samples with excellent recoveries. Therefore, a novel approach is provided for ultrasensitive and reliable detection of Hg2+ in practical applications.
Tolvaptan add‐on therapy in patients with acute heart failure: A systematic review and meta‐analysis
Authors: Luo Xiandu , Jin Qi , Wu Yanqing 
Published: June 2020

AbstractThis study aimed to investigate the short‐term efficacy and safety of tolvaptan as an add‐on to traditional diuretics in patients with acute heart failure (AHF). The PubMed, EMBASE, Cochrane Library, and Web of Science databases were comprehensively searched for all randomized controlled trials (RCTs) that examined AHF patients treated with tolvaptan as a combination therapy with traditional diuretics published on or before December 2, 2019. Efficacy indicators such as improved dyspnea, reduced edema, and changes in urine output and body weight were evaluated. In‐hospital mortality and worsening renal function (WRF) were measured as safety indicators. Data from the published literature included in this study were independently extracted by two reviewers. The Cochrane risk of bias tool was used to evaluate the quality of the included RCTs. Twelve RCTs involving 5577 patients admitted for AHF were included. Compared with traditional diuretics alone, add‐on tolvaptan significantly relieved dyspnea, reduced weight, increased total urine volume and changes in urine volume from baseline, reduced edema, and increased serum sodium concentration in the short term without increasing the mortality. Most importantly, a low dose of tolvaptan (7.5‐15 mg/d) significantly reduced the incidence of WRF, while a high dose (30 mg/d) had the opposite effect. Short‐term add‐on tolvaptan in hospitalized AHF patients could significantly relieve shortness of breath, reduce body weight, improve edema, and increase urine output and serum sodium concentrations without increasing mortality. The protective effects of add‐on tolvaptan against WRF, however, were observed at low doses, but not at high doses.
Evaluating buffer methods for determining lime requirement on acidified agricultural soils of the Palouse
Authors: McFarland Carol , Shiwakoti Santosh , Carpenter‐Boggs Lynne , Schroeder Kurt , Brown Tabitha , Huggins David R. 
Published: June 2020

AbstractAcidification of agricultural soils under intense management in the Palouse region of eastern Washington and northern Idaho is of increasing concern. Buffer methods can provide lime requirement estimates (LREs); however, locally calibrated methods are lacking. Our objective was to evaluate buffer methods and to determine which can produce optimal LREs for Palouse agricultural soils. Samples from 10 regionally dominant agricultural soils (initial pH ≤5.3) were assessed for pH changes after incubation with nine levels of calcium carbonate (CaCO3) for 90 d under laboratory conditions. Achieving a target pH of 6 in the top 15 cm of the soil profile required 3.36–8.36 Mg ha−1 of CaCO3. Laboratory incubation results were compared with LREs calculated from 10 established calibrations using data from seven buffer methods: Shoemaker–McLean–Pratt (SMP), Adams and Evans (AE), Woodruff 6, Woodruff 7, Western Region Woodruff 7, Sikora, and Modified Mehlich (MM). The SMP (R2 = .47) and AE (R2 = .56) calibrations demonstrated the lowest correlation with observed incubation lime requirement (LR) and are not recommended for use on Palouse soils. The MM (R2 = .90), Woodruff 6 (R2 = .78), and Woodruff 7 (R2 = .75) buffer calibrations produced the strongest correlation between LREs and the LRs determined by laboratory incubation. Combining organic matter (OM) with KCl‐extractable aluminum (KCl‐Al) or soil pH was also predictive of LR (R2 = .72) in a stepwise multivariate analysis. The recommendation from this study is to assess LR on Palouse soils using the MM buffer or to use soil analytical results and compute LR from OM and KCl‐Al or pH.
Computational Insight into the Mechanism of Mannich Reaction between Glycinate and Aryl N‐Diphenylphosphinyl Imine Catalyzed by N‐Quaternized Pyridoxal
Authors: Yang Yongsheng , Zhang Yan , Yang Junxia , Xue Ying 
Published: June 2020

AbstractRecently, Chen et al. reported an asymmetric biomimetic Mannich reaction of tert‐butyl glycinate (sub‐1) with aryl N‐diphenylphosphinyl imine (sub‐2) catalyzed by N‐quaternized pyridoxal analogue (cat) (Chen et al., Science, 2018, 360, 1438–1442). By utilizing Gaussian 09 program, we provide the detailed density functional theory (DFT, including B3LYP−D3 and M06‐2X) investigations on the mechanisms of each section of the reaction with CHCl3 as implicit solvent. These cat, sub‐1 and OH− if it exists can act as catalytic base and need to overcome relative free energy barrier of ∼12, 13.5 and 4.2 kcal/mol, respectively, to achieve α‐carbon deprotonation. During the addition reaction, the most favorable transition structure was calculated to overcome a relative free energy barrier of 6.3 kcal/mol, verifying the bifunctional activation mode of cat. The final hydrolysis reaction starts with hydration to achieve protonation at the N atom of sub‐2 portion and generates a carbinolamine. These computational results help one obtain deep understanding of the reaction mechanism and benefit future design of pyridoxal catalyst and similar biomimetic reaction.