bluuebunny/crossref_metadata_2025_split huggingface dataset:
Complete 1H, 13C, and 15N assignments of the minor isomer of codeine N‐oxide
Authors: Boiteau Jean‐Guy , Mouis Gregoire , Reverse Kevin , Surget Estelle , Boccadifuoco Gaetan , Dufaÿ Sophie 
Published: August 2022

AbstractCodeine N‐oxide 2 is an active metabolite of codeine obtained by oxidation and observed as a degradant in codeine drug products such as syrups. Oxidation of codeine's N‐methyl function can deliver two regio‐isomers due to chirality of the tetra‐substituted nitrogen. Hydrogen peroxide oxidation of codeine was performed and induced two different isomers in a 9:1 ratio; these isomers were isolated using preparative high performance liquid chromatography (HPLC) and fully characterized by nuclear magnetic resonance (NMR) techniques. We describe the complete assignment of the minor isomer of codeine N‐oxide 3 and attribute a (S) configuration (N‐methyl axial) of the tetra‐substituted nitrogen. The effects of N‐oxidation on the 15N chemical shifts of the codeine are presented. The 15N shifts were determined using the CIGAR‐HMBC experiment at natural abundance, and the nitrogen resonance of codeine shifted downfield from 42.8 to 118.7 ppm for both N‐oxide isomers.
Dynamical low‐rank approximations of solutions to the Hamilton–Jacobi–Bellman equation
Authors: Eigel Martin , Schneider Reinhold , Sommer David 
Published: August 2022

AbstractWe present a novel method to approximate optimal feedback laws for nonlinear optimal control based on low‐rank tensor train (TT) decompositions. The approach is based on the Dirac–Frenkel variational principle with the modification that the optimization uses an empirical risk. Compared to current state‐of‐the‐art TT methods, our approach exhibits a greatly reduced computational burden while achieving comparable results. A rigorous description of the numerical scheme and demonstrations of its performance are provided.
Association of cognition with leptin and vascular endothelial growth factor in individuals with type 2 diabetes mellitus
Authors: Espeland Mark A. , Evans Joni K. , Carmichael Owen , Luchsinger Jose A. , Marcovina Santica M. , Neiberg Rebecca , Johnson Karen C. , Kahn Steven E. , Hayden Kathleen M. ,   for the Action for Health in Diabetes (Look AHEAD) MIND Ancillary Study Group
Published: August 2022

AbstractObjectiveThe 10‐year intensive lifestyle intervention (ILI) of the Look AHEAD study left a legacy of relative deficits in cognitive function among participants who entered the clinical trial with obesity or a history of cardiovascular disease. We hypothesized that altered levels of two weight‐sensitive proangiogenic cytokines, leptin and vascular endothelial growth factor (VEGF), accounted for this concerning finding.MethodsSerum leptin and VEGF concentrations were determined in 1,279 Look AHEAD participants at baseline, proximal to cessation of the interventions (Epoch 1), and an average of 4 years later (Epoch 2). Up to four standardized assessments of attention, executive function, and memory were collected during follow‐up. Mixed effects models were used to assess relative differences in leptin and VEGF concentrations between intervention groups and whether these accounted for changes in cognitive composite scores.ResultsILI and diabetes support and education differences in VEGF, but not leptin, concentrations varied depending on baseline history of cardiovascular disease and obesity, but neither leptin nor VEGF concentrations accounted for the relative decrements in cognitive function in participants assigned to ILI.ConclusionsAlterations in two weight‐sensitive proangiogenic cytokines did not account for the long‐term adverse effects of ILI on cognitive function among adults with diabetes and either obesity or cardiovascular disease.
Graphene‐reinforcednovel poly(acetoxystyrene‐co‐glycidylmethacrylate) composites: Synthesis and optimization of dielectric behaviors using response surface methodology
Authors: Pihtili Güzin 
Published: August 2022

AbstractIn this work, a new copolymer synthesis of Poly(acetoxystyrene‐co‐glycidylmethacrylate) (P[AOS‐co‐GMA]) by free radical polymerization (FRP) method is reported. The polymer composites (P[AOS‐co‐GMA]/graphene), containing different amounts of graphene, were prepared by the solution casting technique. Composites of Poly(acetoxystyrene‐co‐glycidylmethacrylate) loaded with 2.03 mass%, 5.00 mass%, 7.97 mass%, and 10 mass% graphene. The structure of AOS‐GMA systems was characterized by fourier transform infrared,1H‐NMR and scanning electron microscopy. Thermal features were evaluated by the thermogravimetric analysis and differential scanning calorimetry. The aim of this study is to optimize the ε′ (dielectric constant) and ε′′ (dielectric loss factor) of pure polymer and graphene‐doped (2.03‐5‐7.97‐10 mass%) P(AOS‐co‐GMA) composite using response surface methodology. For optimization of the process and creation of the mathematical model, the central composite design package was used. The significance of the process parameters in the model was evaluated by analysis of variance (ANOVA) research. The effects of process parameters, frequency (Hz), voltage (V), and graphene ratio (mass%) on ε′ and ε′′ were examined at ambient temperature. The maximum ε″ value (8.01) was reached at around the 699 Hz frequency and at 11.43 V voltage at the graphene content of 9.82 mass%. The model estimated the maximum value of the ε′′ (0.08) when the frequency was set at 51.20, the voltage was fixed at 1.16 and the graphene content was fixed at 9.97 wt%. The ANOVA results showed that frequency and graphene content were the main model parameters and had a remarkable effect on the dielectric properties. This article presents the development of a new polymeric composite and optimize effect of process parameters, such as frequency (A), voltage (B) and amount of graphene (C).
Professional engagement and professional values among teachers in Turkish primary schools: Examining the mediating effect of professional efficacy
Authors: Balkar Betül , Alev Sedat 
Published: August 2022

AbstractObjectiveThe present research investigates direct relationships between professional values, professional efficacy, and professional engagement among primary school teachers. The mediating role of professional efficacy in the relationship between values and engagement, that is, whether greater adoption of professional values leads to greater professional efficacy, which in turn leads to greater professional engagement is explored.MethodA correlational design was used in the research. Survey data were collected from 370 primary school teachers in the city of Gaziantep, Turkey. Research data were collected through self‐report questionnaires that assessed the variables of the research. Data were analyzed using confirmatory factor analysis, structural equation modeling, and the bootstrap method.ResultsThe results showed direct positive associations between the research variables and a partial mediating role of efficacy between values and engagement. While higher adoption of professional values directly led to greater professional engagement, it also predicted increases in professional efficacy and, in turn, indirectly increased teacher engagement.ConclusionsTeachers who adopt professional values more strongly are more likely to demonstrate efficacy in their profession, which, in turn, enhances their professional engagement. These results shed light on how to increase teacher engagement.
Comparison of in‐person and synchronous remote musculoskeletal exam using augmented reality and haptics: A pilot study
Authors: Borresen Aleks , Chakka Keerthana , Wu Richard , Lin Chung‐Kuang , Wolfe Cody , Prabhakaran Balakrishnan , Annaswamy Thiru M. 
Published: August 2022

AbstractIntroductionUtilization of telemedicine for health care delivery increased rapidly during the coronavirus disease 2019 (COVID‐19) pandemic. However, physical examination during telehealth visits remains limited. A novel telerehabilitation system—The Augmented Reality‐based Telerehabilitation System with Haptics (ARTESH)—shows promise for performing synchronous, remote musculoskeletal examination.ObjectiveTo assess the potential of ARTESH in remotely examining upper extremity passive range of motion (PROM) and maximum isometric strength (MIS).DesignIn this cross‐sectional pilot study, we compared the in‐person (reference standard) and remote evaluations (ARTESH) of participants' upper extremity PROM and MIS in 10 shoulder and arm movements. The evaluators were blinded to each other's results.SettingParticipants underwent in‐person evaluations at a Veterans Affairs hospital's outpatient Physical Medicine and Rehabilitation (PM&R) clinic, and underwent remote examination using ARTESH with the evaluator located at a research lab 30 miles away, connected via a high‐speed network.PatientsFifteen participants with upper extremity pain and/or weakness.InterventionsNot applicable.Main Outcome MeasuresInter‐rater agreement between in‐person and remote evaluations on 10 PROM and MIS movements and presence/absence of pain with movement was calculated.ResultsThe highest inter‐rater agreements were noted in shoulder abduction and protraction PROM (kappa (κ) = 0.44, confidence interval (CI): −0.1 to 1.0), and in elbow flexion, shoulder abduction, and shoulder protraction MIS (κ = 0.63, CI: 0 to 1.0).ConclusionsThis pilot study suggests that synchronous tele‐physical examination using the ARTESH system with augmented reality and haptics has the potential to provide enhanced value to existing telemedicine platforms. With the additional technological and procedural improvements and with an adequately powered study, the accuracy of ARTESH‐enabled remote tele‐physical examinations can be better evaluated.
Prostate cancer grade downgrading at time of prostatectomy provides risk‐stratification insight into future tumor behavior after prostatectomy
Authors: Wang Shu , Ryan Russell J. , Drescher Max , Park Ashley , Legesse Teklu , Kundra Vikas , Tran Phuoc T. , Phelan Michael , Naslund Michael , Minhaj Siddiqui M. 
Published: August 2022

AbstractBackgroundProstate biopsy (Bx) sampling‐based diagnosis of prostate cancer (PCa) has well‐described inaccuracy when compared against whole gland analysis upon prostatectomy. Although upgrading of PCa Grade Group (GG) is often described, the occurrence and prognostic implications of downgrading PCa GG at the time of radical prostatectomy (RP) is less understood. Our objective was to evaluate whether downgrading PCa GG at the time of RP was associated with future tumor behavior.MethodsThe SEER database was searched from 2010 to 2017 and patients were included if they were assigned pathological grades on both Bx and RP specimen. Patients were stratified into Bx GG > RP GG and Bx GG ≤ RP GG groups, and tumor behavior after treatment was examined. Cox regression was used for the survival analysis.ResultsHere, 99,835 patients were included in this study. A total of 18,516 (18.5%) patients encountered downgrading from Bx GG to RP GG. A downgrading of 1 grade occurred in 13,969 (75.4%) of these patients and of 2 or more grades occurred in 4547 (24.6%) patients. A history of higher Bx GG compared with RP GG increased the risk of cancer‐specific mortality (CSM) for each given RP GG controlling for age, race, preop prostate‐specific antigen level, percentage of positive biopsy cores, and pathologic TNM stages. Specifically, a history of high Bx GG conferred a 45% increased risk of CSM for any given RP GG (hazard ratio = 1.45 95% confidence interval = 1.16–1.82, p < 0.001).ConclusionA history of higher Bx GG, and hence downgrading at the time of RP, demonstrates some value as a risk‐stratification tool for future cancer outcomes after prostatectomy.
Understanding and managing hazards of lithium‐ion battery systems
Authors: Snyder Mike , Theis Amy 
Published: August 2022

AbstractOver the last decade, the rapid development of lithium‐ion battery (LIB) technology has provided many new opportunities for both Energy Storage Systems (ESS) and Electric Vehicle (EV) markets. At the same time, fire and explosion risks associated with this type of high‐energy battery technology have become a major safety concern. Many advances have been made in understanding reactive chemistry and fire‐safety issues related to both thermal runaway and fire hazards presented by LIBs. Thermal runaway or fire can occur from battery manufacturing defects, charging system malfunctions, extreme abuse conditions that may result from a faulty operation or traffic accidents, and end‐of‐life battery handling. Failure of the battery is often accompanied by the release of toxic gas, fire, jet flames, and explosion hazards, which present unique exposures to workers and emergency response personnel. LIB fires often present complex emergency response challenges, requiring extensive amounts of water applied over several hours to cool batteries, extinguish the fire, and prevent reignition. This paper overviews the fundamental principles required to establish a basis of safety for proper storage, handling, and use of LIBs. Starting with an overview of the technology used in LIB systems, the paper will provide a review of common sources for thermal runaways and fire events and practical ways used to prevent their occurrence. While regulatory coverage for LIB storage, handling, and use is still in various stages of development, a growing body of international best practices and consensus views have emerged. Finally, to safely address thermal runaway and fire events, an overview of global best practices for emergency response activities involving LIBs is provided.
Evaluating invasion risk and population dynamics of the brown marmorated stink bug across the contiguous United States
Authors: Illán Javier Gutiérrez , Zhu Gengping , Walgenbach James F , Acebes‐Doria Angel , Agnello Arthur M , Alston Diane G , Andrews Heather , Beers Elisabeth H , Bergh J Christopher , Bessin Ricardo T , Blaauw Brett R , Buntin G David , Burkness Erik C , Cullum John P , Daane Kent M , Fann Lauren E , Fisher Joanna , Girod Pierre , Gut Larry J , Hamilton George C , Hepler James R , Hilton Richard , Hoelmer Kim A , Hutchison William D , Jentsch Peter J , Joseph Shimat V , Kennedy George G , Krawczyk Grzegorz , Kuhar Thomas P , Lee Jana C , Leskey Tracy C , Marshal Adrian T , Milnes Joshua M , Nielsen Anne L , Patel Dilani K , Peterson Hillary D , Reisig Dominic D , Rijal Jhalendra P , Sial Ashfaq A , Spears Lori R , Stahl Judith M , Tatman Kathy M , Taylor Sally V , Tillman Glynn , Toews Michael D , Villanueva Raul T , Welty Celeste , Wiman Nik G , Wilson Julianna K , Zalom Frank G , Crowder David W 
Published: August 2022

AbstractBACKGROUNDInvasive species threaten the productivity and stability of natural and managed ecosystems. Predicting the spread of invaders, which can aid in early mitigation efforts, is a major challenge, especially in the face of climate change. While ecological niche models are effective tools to assess habitat suitability for invaders, such models have rarely been created for invasive pest species with rapidly expanding ranges. Here, we leveraged a national monitoring effort from 543 sites over 3 years to assess factors mediating the occurrence and abundance of brown marmorated stink bug (BMSB, Halyomorpha halys), an invasive insect pest that has readily established throughout much of the United States.RESULTSWe used maximum entropy models to estimate the suitable habitat of BMSB under several climate scenarios, and generalized boosted models to assess environmental factors that regulated BMSB abundance. Our models captured BMSB distribution and abundance with high accuracy, and predicted a 70% increase in suitable habitat under future climate scenarios. However, environmental factors that mediated the geographical distribution of BMSB were different from those driving abundance. While BMSB occurrence was most affected by winter precipitation and proximity to populated areas, BMSB abundance was influenced most strongly by evapotranspiration and solar photoperiod.CONCLUSIONOur results suggest that linking models of establishment (occurrence) and population dynamics (abundance) offers a more effective way to forecast the spread and impact of BMSB and other invasive species than simply occurrence‐based models, allowing for targeted mitigation efforts. Implications of distribution shifts under climate change are discussed. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Exploring the failing right ventricle in pulmonary hypertension by cardiac magnetic resonance: An in vivo study utilizing Macitentan
Authors: Murphy Gerard , Jayasekera Geeshath , Mullin James , Gallagher Lindsay , Welsh David J. 
Published: August 2022

AbstractCardiac magnetic resonance (CMR) imaging is used to assess the right ventricle (RV) of pulmonary hypertensive (PH) patients and more recently to track changes in response to therapy. We wished to investigate if repeat CMRs could be used to assess ventricular changes in the Sugen 5416 hypoxic (Su/Hx) rat model of PH treated with the dual endothelin receptor antagonist Macitentan. Male Sprague Dawley Su/Hx rats were dosed for 3 weeks with either vehicle or Macitentan (30 mg/kg) daily, control rats received only vehicle. All rats underwent three CMR scans; before treatment, 2 weeks into treatment, and end of the study. A separate group of Su/Hx and control rats, treated as above, underwent terminal hemodynamic measurements. Using terminal and CMR measurements, Macitentan was found to lower RV systolic pressure pulmonary artery remodeling and increase RV ejection fraction but not change RV hypertrophy (RVH). Repeat CMRs determined that Su/Hx rats treated with Macitentan had significantly reversed RVH via reducing RV mass as well as reducing elevated left ventricular eccentricity index; reductions in RV mass were also observed in Su/Hx vehicle rats exposed to normoxic conditions. We have demonstrated that repeat CMRs can be used to assess the volume and structural changes in the ventricles of the Su/Hx rat model. Using repeat CMRs has allowed us to build a more complete picture of the response of the RV and the left ventricle to treatment. It is unknown if these effects are a consequence of direct action on the RV or secondary to improvements in the lung vasculature.
A probabilistic routing algorithm based on node communication capability and message strength
Authors: Chang Yanan , Wan Qiyun , Cui Jianqun , Zhang Ruijie , Wu Jike , Zhou Hao 
Published: August 2022

SummaryIn delay‐tolerant networks (DTN), node connection time and message transmission time are two important influencing factors that can improve the delivery rate. In this paper, we first define a new concept called communication capability (CC) and then apply this concept to the delivery predictability formulation in Prophet and improve it. Then, in Prophet, the selection of relay nodes relies only on the delivery predictability and ignores the caching and forwarding capability of the node. Therefore, we combine delivery predictability, buffering, and forwarding capability to develop a new adaptive relay node selection strategy. Subsequently, we define two metrics called message priority (MP) and message strength (MS). The node forwards messages sequentially based on message priority and discards messages based on message strength. Finally, we present a probabilistic routing algorithm based on node communication capability and message strength (CAMS). The simulation results show that compared with traditional routing algorithms, the CAMS can effectively improve the message delivery rate, reduce the overhead ratio, and keep average hop counts low.
Encapsulationof the Haloalkane 4‐Chloromethylpyridine Hydrochloride by Cucurbit[8]uril
Authors: Shan Pei‐Hui , Lu Yun , Yu Zhi‐chao , Fan Ying , Zhao An‐ting , Redshaw Carl , Tao Zhu , Xiao Xin 
Published: August 2022

AbstractComplexation of 4‐chloromethylpyridine hydrochloride (G) with cucurbit[8]uril (Q[8]) has been investigated using NMR spectroscopy, UV‐visible spectroscopy, isothermal titration calorimetry (ITC), Quantum calculation, and X‐ray crystallography. The data indicated that the guest 4‐chloromethylpyridine hydrochloride is completely encapsulated by the cavity of the Q[8] host in both aqueous solution and the solid state, generating a highly stable inclusion complex, namely G2@Q[8]. Interestingly, ion–dipole interactions and hydrogen‐bonding interactions play a central role in the formation of the inclusion complex G2@Q[8], which provides a reliable basis for the encapsulation of small organic guests by the hydrophobic microenvironment of the cavity.
Rod‐Like MnOx Catalyst Derived from Mn‐MOF‐74 for Chlorobenzene Oxidation at Low Temperature
Authors: Jiang Tingting , Wang Xi , Chen Jiazhi , Zhang Junjie , Mai Yuliang 
Published: August 2022

AbstractIn this study, a series of MnOx catalysts were prepared by pyrolysis of Mn‐MOF‐74 precursors. The calcination temperature had influence on the structure and catalytic performance of MnOx catalysts in the catalytic oxidation of chlorobenzene. Their physicochemical properties were characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N2 adsorption/desorption, X‐ray photoelectron spectroscopy (XPS), H2 temperature programmed reduction (H2‐TPR) and Fourier transform infrared (FTIR), respectively. The order of catalytic activity was as follows: rod‐like MnOx‐700 > rod‐like MnOx‐600 > boat‐like MnOx‐800. The MnOx‐700 catalysts exhibited excellent activity for chlorobenzene (CB) decomposition, and the T90 (temperature with CB conversion of 90 %) was 225 °C. The main reason was that MnOx‐700 inherited the advantage of Mn‐MOF‐74 with high specific surface area, and had higher ratio of Mn3+/Mn4+ (2.51) and Osur/Ototal (0.53). Meanwhile, the MnOx‐700 can maintain over 90 % CB conversion at elevated temperature for 100 h. This work can provide an idea for the further development of high efficiency catalysts prepared via MOF‐template in the CB decomposition.
2D Metal‐Organic Framework Based on the Functionalized Anthracene Derivative as A Dual‐Functional Luminescent Probe for Fe3+ and Ascorbic Acid
Authors: Chen Zi‐Yi , Li Peng‐Cheng , Guo Cui , Chen Xiao‐Huan , Liu Bing‐Jie , Zou Hui‐Jing , Liang Wen‐Jie , Xu Hai 
Published: August 2022

AbstractTwo‐dimensional (2D) materials are newly developed for their thickness‐dependent physical and chemical properties. The major characteristic of this type of material is that the planar structure flaunts a large surface‐to‐volume ratio, thereby providing a platform for straightforward and easy functionalization with chemical moieties, which prompting us to use it as a chemical sensor. We designed and synthesized two types of 2D metal‐organic frameworks based on the functionalized anthracene derivative 4,4′‐(anthracene‐9,10‐diylbis(ethyne‐2,1‐diyl))dibenzoic acid (H2L), [Pb(L)(DMF)] (denoted as Pb‐MOF) and [Sm(L)(HCO2)(DMF)] (denoted as Sm‐MOF). These two materials are great sensors for probing Fe3+ and ascorbic acid (AA) with the low concentration according to “color‐change recover” effect. Fe3+ was captured by MOF and this quenching mechanism was investigated using luminescence, UV‐vis, XPS, and lifetime studies.