bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reliability of two dissociating tests of phoria in artificially created phoria in normal adults
Authors: Helminski Janet O. , Keller Sarah , Suckow Melissa , Stein Amy , Grieco Lauren , Lintakas Rima , Reinders Caroline 
Published: September 2021

AbstractBackgroundThe ability of physical therapists (PTs) to accurately identify and reliably measure phoria/tropia is critical in the differential diagnosis of individuals with acute vestibular syndrome and concussion/mild traumatic brain injury.ObjectivesTo determine if PTs may reliably measure phoria and to determine the reliability of two dissociating tests of phoria, the prism neutralized Maddox rod test and modified Thorington method, in normal adults with artificially created phoria.MethodsThirty adults (mean age 24.87 ± 4.74 years) were randomly assigned to wear trial lenses (1, 2, 4, or 6 pd prism left, plain glass right) to create phoria. In sitting and supine, phoria was measured using prism neutralized Maddox rod test and modified Thorington method. Mean, SD, and range of first neutral endpoint were calculated for each examiner. Percentage of trials in agreement (≤ 2 and 4 pd); comparisons within the linear mixed effects regression model; and inter‐rater reliability between examiners was calculated with the intra‐class correlation coefficient (ICC).ResultsParticipants underwent 20 measurements by each examiner. Trial agreement between examiners was 74% (range 13%‐100%) in horizontal and 91% (range 63%‐100%) in vertical plane. Maddox rod test had significantly different means between two examiners (P < .05). Modified Thorington test had no significant difference. The Maddox rod test had a significant examiner main effect, examiner 2 always scored lower. Inter‐rater correlation coefficient for each test was significant at level of P < .01 (ICC ≥ 0.67 ≤ 0.94) except for modified Thorington test in supine, horizontal plane with P < .05 (ICC ≥ 0.38).ConclusionPTs may reliably measure artificially created phorias using prism neutralized Maddox rod test and modified Thorington method.
High sensitivity glycomics in biomedicine
Authors: Lageveen‐Kammeijer Guinevere S. M. , Kuster Bernhard , Reusch Dietmar , Wuhrer Manfred 
Published: September 2021

AbstractMany analytical challenges in biomedicine arise from the generally high heterogeneity and complexity of glycan‐ and glycoconjugate‐containing samples, which are often only available in minute amounts. Therefore, highly sensitive workflows and detection methods are required. In this review mass spectrometric workflows and detection methods are evaluated for glycans and glycoproteins. Furthermore, glycomic methodologies and innovations that are tailored for enzymatic treatments, chemical derivatization, purification, separation, and detection at high sensitivity are highlighted. The discussion is focused on the analysis of mammalian N‐linked and GalNAc‐type O‐linked glycans.
Binary Blends of Diblock Copolymers: An Efficient Route to Complex Spherical Packing Phases
Authors: Xie Jiayu , Li Yu , Shi An‐Chang 
Published: September 2021

AbstractThe phase behavior of binary blends composed of AB and AB diblock copolymers is systematically studied using the polymeric self‐consistent field theory, focusing on the formation and relative stability of various spherical packing phases. The results are summarized in a set of phase diagrams covering a large phase space of the system. Besides the commonly observed body‐centered‐cubic phase, complex spherical packing phases including the Frank–Kasper A15, and the Laves C14, C15 phases could be stabilized by the addition of longer AB‐copolymers to asymmetric AB‐copolymers. Stabilizing the complex spherical packing phases requires that the added AB‐copolymers have a longer A‐block and an overall chain length at least comparable to the host copolymer chains. A detailed analysis of the block distributions reveals the existence of inter‐ and intra‐domain segregation of different copolymers, which depends sensitively on the copolymer length ratio and composition. The predicted phase behaviours of the AB/AB diblock copolymer blends are in good agreement with previous experimental and theoretical results. The study demonstrates that binary blends of diblock copolymers provide an efficient route to regulate the emergence and stability of complex spherical packing phases.
Serotonergic and Dopaminergic Lesions Underlying Parkinsonian Neuropsychiatric Signs
Authors: Maillet Audrey , Météreau Elise , Tremblay Léon , Favre Emilie , Klinger Hélène , Lhommée Eugénie , Le Bars Didier , Castrioto Anna , Prange Stéphane , Sgambato Véronique , Broussolle Emmanuel , Krack Paul , Thobois Stéphane 
Published: September 2021

AbstractBackgroundParkinson's disease (PD) is characterized by heterogeneous motor and nonmotor manifestations related to alterations in monoaminergic neurotransmission systems. Nevertheless, the characterization of concomitant dopaminergic and serotonergic dysfunction after different durations of Parkinson's disease, as well as their respective involvement in the expression and severity of neuropsychiatric signs, has gained little attention so far.MethodsTo fill this gap, we conducted a cross‐sectional study combining clinical and dual‐tracer positron emission tomography (PET) neuroimaging approaches, using radioligands of dopamine ([11C]‐N‐(3‐iodoprop‐2E‐enyl)‐2‐beta‐carbomethoxy‐3‐beta‐(4‐methylphenyl)‐nortropane) ([11C]PE2I) and serotonin ([11C]‐N,N‐dimethyl‐2‐(‐2‐amino‐4‐cyanophenylthio)‐benzylamine) ([11C]DASB) reuptake, after different durations of Parkinson's disease (ie, in short‐disease duration drug‐naive de novo (n = 27, 0–2 years‐duration), suffering from apathy (n = 14) or not (n = 13); intermediate‐disease duration (n = 15, 4–7 years‐duration) and long‐disease duration, non‐demented (n = 15, 8–10 years‐duration) patients). Fifteen age‐matched healthy subjects were also enrolled.ResultsThe main findings are threefold: (1) both dopaminergic and serotonergic lesions worsen with the duration of Parkinson's disease, spreading from midbrain/subcortical to cortical regions; (2) the presence of apathy at PD onset is associated with more severe cortical and subcortical serotonergic and dopaminergic disruption, similar to the denervation pattern observed in intermediate‐disease duration patients; and (3) the severity of parkinsonian apathy, depression, and trait‐anxiety appears primarily related to serotonergic alteration within corticostriatal limbic areas.ConclusionsAltogether, these findings highlight the prominent role of serotonergic degeneration in the expression of several neuropsychiatric symptoms occurring after different durations of Parkinson's disease. © 2021 International Parkinson and Movement Disorder Society
A novel phase‐field based cohesive zone model for modeling interfacial failure in composites
Authors: Bian Pei‐Liang , Qing Hai , Schmauder Siegfried 
Published: September 2021

AbstractThe interface plays a critical role in the mechanical properties of composites. In the present work, a novel phase‐field based cohesive zone model (CZM) is proposed for the cracking simulation. The competition and interaction between the bulk and interfacial cracking are taken into consideration directly in both displacement‐ and phase‐field. A family of modified degradation functions is utilized to describe the traction‐separation law in the CZM. Finite element implementation of the present CZM was carried out with a completely staggered algorithm. Several numerical examples, including a single bar tension test, a double cantilever beam test, a three‐point bending test, and a single‐fiber reinforced composite test, are carried out to verify the present model by comparison with existing numerical and experimental results. The present model shows its advantage on modeling interaction between bulk and interfacial cracking.
Semi‐analytic time differencing methods for singularly perturbed initial value problems
Authors: Gie Gung‐Min , Jung Chang‐Yeol , Lee Hoyeon 
Published: September 2021

AbstractWe implement our new semi‐analytic time differencing methods, applied to singularly perturbed non‐linear initial value problems. It is well‐known that, concerning the singularly perturbed initial problem, a very stiff layer, called initial layer, appears when the perturbation parameter is small, and this stiff initial layer causes significant difficulties to approximate the solution. To improve numerical quality of the classical integrating factor (IF) methods and exponential time differencing (ETD) methods for stiff problems, we first derived the so‐called correctors, which are analytic approximations of the stiff part of the solution. Then, by embedding these correctors into the IF and ETD methods, we build our new enriched schemes to improve the IF Runge–Kutta and ETD Runge–Kutta schemes. By performing numerical simulations, we verify that our new enriched schemes give much better approximations of solutions to the stiff problems, compared with the classical schemes without using the correctors.
Tailoring the graphene oxide chemical structure and morphology as a key to polypropylene nanocomposite performance
Authors: Garcia Pamela S. , de Oliveira Yuri D. C. , Valim Fernanda C. F. , Kotsilkova Rumiana , Ivanov Evgeni , Donato Ricardo K. , Fechine Guilhermino J. M. , Andrade Ricardo J. E. 
Published: September 2021

AbstractIn this work, we designed and studied two synthetic routes, based on modified Hummers method, to obtain graphene oxide (GO), and investigated their influence on the performance of polypropylene (PP)/GO nanocomposites. The two synthetic routes differed in the application condition of the oxidizing agent, potassium permanganate (KMnO4), which was added either as a powder (GO‐P) or as a water solution (GO‐S). This apparently subtle synthetic change yielded GOs with different degrees of oxidation and particle sizes, where GO‐P presented a higher oxidation degree and smaller particles. The different GOs were then melt‐blended with PP and the correlation between their different chemical/morphological structures and the nanocomposites' thermomechanical/rheological properties were evaluated. The milder oxidation process suffered by GO‐S, and consequent less hydrophilic character, yielded a PP/GO‐S nanocomposite with improved performance as the consequence of a better matrix/filler chemical affinity, mainly in compositions with lower GO‐S contents. The thermal stability was increased by more than 10°C when 0.1 wt% GO‐S was inserted into PP. When compared to the composition with 0.1 wt% GO‐P, the increase was 13°C. Reinforcing effects were also observed in that sample (with 0.1 wt% GO‐S), which exhibited the highest storage modulus and complex viscosity. These results suggest that tailoring the GO's oxidation degree and morphology is a key point to obtain an ideal interfacial interaction between phases.
Determination of electron properties of a helium atmospheric pressure plasma jet with a grounded metallic target
Authors: Tran Tuyen Ngoc , Oh Cha‐Hwan , Lee Wonwook 
Published: September 2021

AbstractAn atmospheric pressure plasma jet (APPJ) was configured to generate helium atmospheric pressure plasma. A kilohertz AC voltage was applied to APPJ electrodes, and a grounded aluminum target was placed outside of a quartz tube on the plasma propagation axis. The electron temperature and density of APPJ were determined using the emissivity of continuum radiation in 380–500 nm spectra. Electron temperatures and densities for the helium plasmas with and without a target were compared. When the target was installed, the continuum radiation was enhanced, and electron density increased. Spatial distributions of electron temperature and density from the nozzle of the quartz tube to the target were examined. The electron temperature increased up to ∼2.75 eV, and electron density increased and decreased along APPJ propagation.
DCE‐MRI for early evaluation of therapeutic response in esophageal cancer after concurrent chemoradiotherapy and its values in predicting HIF‐1α expression
Authors: Xie Xiaodong , Gu Lingling , Guo Zhen , Tao Hua , Zhou Yiqin , Shen Wenrong , Zhou Zhengyang 
Published: September 2021

AbstractTo examine the feasibility of quantitative dynamic contrast‐enhanced magnetic resonance imaging (DCE‐MRI) in the early assessment of the therapeutic response to concurrent chemoradiotherapy (CRT) in esophageal cancer (EC) patients and to determine its value in predicting HIF‐1α expression. EC patients underwent DCE‐MRI 1 week pre‐CRT and 3 weeks post‐CRT (3w‐CRT). According to tumor regression post‐treatment, patients were divided into sensitive group (SG) and resistant group (RG). HIF‐1α expression was assessed by immunohistochemistry (IHC). Quantitative parameters (ktrans, kep, and ve) were compared between the SG and RG groups, as well as between the HIF‐1α(+) and HIF‐1α(−) groups. Receiver operating characteristic (ROC) curve analysis was performed to detect the best predictor of the above parameters in the therapeutic response and in predicting HIF‐1α expression. Totally 34 and 5 patients were included in the SG and RG, respectively. Pre‐ktrans and pre‐kep were decreased significantly in the SG at 3w‐CRT (p < .01), whereas only pre‐kep was decreased in the RG (p = .037). Pre‐ktrans was higher in the SG compared with the RG (p < .01). Meanwhile, absolute Δktrans (post‐ktrans–pre‐ktrans) was reduced more substantially in the SG compared with the RG. Δktrans also had the highest area under the curve (AUC = 0.929) in distinguishing SG from RG. Based on IHC, 13 and 11 patients were HIF‐1α(+) and HIF‐1α(−), respectively. At 3w‐CRT, post‐ktrans was markedly lower than pre‐ktrans in the HIF‐1α(+) group (p < .01); however, both ktrans and kep in the HIF‐1α(−) group were dramatically reduced than pre‐treatment values (both p < .01). Pre‐ktrans was significantly higher in the HIF‐1α(−) group compared with the HIF‐1α(+) group (p = .002) and constituted an excellent parameter for predicting HIF‐1α expression (AUC = 0.881). DCE‐MRI is effective in the early assessment of the therapeutic response after CRT, offering a novel noninvasive method for predicting HIF‐1α expression in advanced EC patients.
Crystal structure ofAspergillus fumigatusAroH, an aromatic amino acid aminotransferase
Authors: Spizzichino Sharon , Pampalone Gioena , Dindo Mirco , Bruno Agostino , Romani Luigina , Cutruzzolà Francesca , Zelante Teresa , Pieroni Marco , Cellini Barbara , Giardina Giorgio 
Published: September 2021

AbstractAspergillus fumigatusis a saprophytic ubiquitous fungus whose spores can trigger reactions such as allergic bronchopulmonary aspergillosis or the fatal invasive pulmonary aspergillosis. To survive in the lungs, the fungus must adapt to a hypoxic and nutritionally restrictive environment, exploiting the limited availability of aromatic amino acids (AAAs) in the best possible way, as mammals do not synthesize them. A key enzyme for AAAs catabolism inA. fumigatusis AroH, a pyridoxal 5′‐phosphate‐dependent aromatic aminotransferase. AroH was recently shown to display a broad substrate specificity, accepting L‐kynurenine and α‐aminoadipate as amino donors besides AAAs. Given its pivotal role in the adaptability of the fungus to nutrient conditions, AroH represents a potential target for the development of innovative therapies againstA. fumigatus‐related diseases. We have solved the crystal structure ofAf‐AroH at 2.4 Å resolution and gained new insight into the dynamics of the enzyme's active site, which appears to be crucial for the design of inhibitors. The conformational plasticity of the active site pocket is probably linked to the wide substrate specificity of AroH.
A two‐stage drop‐the‐losers design for time‐to‐event outcome using a historical control arm
Authors: Abbas Rachid , Wason James , Michiels Stefan , Le Teuff Gwénaël 
Published: September 2021

AbstractPhase II immuno‐oncology clinical trials screen for efficacy an increasing number of treatments. In rare cancers, using historical control data is a pragmatic approach for speeding up clinical trials. The drop‐the‐losers design allows dropping off ineffective arms at interim analyses. We extended the original drop‐the‐losers design for a time‐to‐event outcome using a historical control through the one‐sample log‐rank statistic. Simulated trials featured three arms at the first stage, one at the second stage, nine scenarios, eight sample sizes with 5%‐ and 10%‐ nominal family‐wise error rate (FWER). A numerical algorithm is provided to solve power calculations at the design stage. Our design was compared with a group of three independent single‐arm trials (fixed design) with and without correction for multiplicity. Our design allowed strict control of the FWER at nominal levels while the misspecification of survival distribution and fixed design inflated the FWER up to three times the nominal level. The empirical power of our design increased with the sample size, the treatment effect and the number of effective treatments and dropped when more patients were recruited at the second stage. The fixed design with correction showed comparable power, while our design advantageously included more patients to the most promising arm. Recommendations for future applications are given. By taking advantage of the use of historical control data and a time‐to‐event outcome, the drop‐the‐losers design is a promising tool to meet the challenge of improving phase II clinical trials in immuno‐oncology.
Topological indices and QSPR modeling of some novel drugs used in the cancer treatment
Authors: Havare Özge Çolakoğlu 
Published: September 2021

AbstractCancer is a deadly disease. There is no drug yet for the treatment of some types of cancer. New drug trials are being conducted to treat this disease. One of them is HDAC‐based multi‐target drugs. Topological indices (TIs) are the numerical descriptors of a molecular structure obtained by the molecular graph. TIs can be used in the structure–property relationship (QSPR) and structure–activity relationship studies to provide information about the physicochemical properties and biological properties of molecules. In this paper, vorinostat, tucidinostat, triciferol, and CUDC‐101 and CUDC‐907, which are seen as an important light in cancer treatment, are studied. M‐polynomials based on degree and NM‐polynomials based on the sum of degrees of neighboring vertices for chemical graphs of these drugs are calculated. By using these polynomials, many TIs that depend on the degree and the sum of neighboring degrees are obtained. Moreover, The QSPR models are designed using these TIs to estimate some physicochemical properties of these drugs. The QSPR studies are obtained using the curvilinear regression method.
O‐Alkylation Redirected Condensation of 5‐Hydroxy‐1,2‐oxazine‐6‐ones with Primary Amines for Synthesis of 5‐Hydroxyiminopyridine‐2,6(1H,3H)‐diones
Authors: Nizovtsev Alexey V. , Sokolov Anatolii I. , Smirnov Alexander Yu. , Mikhaylov Andrey A. , Myasnyanko Ivan N. , Belozerova Olga A. , Baleeva Nadezhda S. , Usmanova Liliia , Baranov Mikhail S. 
Published: September 2021

AbstractHerein we report a short and general protocol for synthesis of potentially biologically active pyridine‐2,6‐diones. The approach is based on the redirection of the condensation of the intermediates of Dornow reaction – 5‐hydroxy‐1,2‐oxazine‐6‐ones with primary amines by their prior O‐alkylation. Such manipulation blocks their transformation into isoxazoles and allows one to obtain a library of 30+ previously undescribed 5‐alkoxy‐3‐(hydroxyimino)‐4‐aryl‐pyridine‐2,6(1H,3H)‐dione derivatives in 37–89 % yields.
Boosting Hydrogen Evolution Reaction via Electronic Coupling of Cerium Phosphate with Molybdenum Phosphide Nanobelts
Authors: Zhang Luyao , Hu Minghao , Li Huan , Cao Bo , Jing Peng , Liu Baocang , Gao Rui , Zhang Jun , Liu Bin 
Published: September 2021

AbstractMolybdenum phosphide (MoP) is regarded as one of the most promising alternatives to noble‐metal based electrocatalysts for efficient hydrogen evolution reaction (HER) due to its similar d‐band electronic structure to noble metals and tunable features associated with phase and composition. However, it still remains a great challenge to construct MoP electrocatalysts with abundant active sites that possess ideal H binding strength to promote catalytic performance. In this work, it is found that by anchoring a rare earth compound, cerium phosphate (CePO4) on MoP (CePO4/MoP), the stabilized Ce3+ in CePO4 can significantly boost the formation of oxygen vacancies in ceria (CeO2) in situ formed on CePO4 surface during HER, which effectively regulates the d‐band electronic density‐of‐states of MoP, increases the numbers of active sites, and promotes the vectorial electron transfer, therefore greatly enhancing the HER performance of MoP. The optimized CePO4/MoP/carbon cloth (CC) electrocatalyst exhibits a significantly improved HER performance with an overpotential of 48 mV at 10 mA cm−2 and a Tafel slope of 38 mV dec−1, about two times better than the HER performance of MoP catalyst without CePO4 (with an overpotential >80 mV dec−1 at 10 mA cm−2), very close to commercial Pt/C catalyst.
Simultaneously Engineering the Coordination Environment and Pore Architecture of Metal–Organic Framework‐Derived Single‐Atomic Iron Catalysts for Ultraefficient Oxygen Reduction
Authors: Liu Feng , Shi Lei , Song Shaofeng , Ge Kai , Zhang Xiaopeng , Guo Yingchun , Liu Dong 
Published: September 2021

AbstractDesigning highly efficient and durable electrocatalysts that accelerate sluggish oxygen reduction reaction kinetics for fuel cells and metal–air batteries are highly desirable but challenging. Herein, a facile yet robust strategy is reported to rationally design single iron active centers synergized with local S atoms in metal–organic frameworks derived from hierarchically porous carbon nanorods (Fe/N,S‐HC). The cooperative trithiocyanuric acid‐based coating not only introduces S atoms that regulate the coordination environment of the active centers, but also facilitates the formation of a hierarchically porous structure. Benefiting from electronic modulation and architectural functionality, Fe/N,S‐HC catalyst shows markedly enhanced ORR performance with a half‐wave potential (E1/2) of 0.912 V and satisfactory long‐term durability in alkaline medium, outperforming those of commercial Pt/C. Impressively, Fe/N,S‐HC‐based Zn–air battery also presents outstanding battery performance and long‐term stability. Both electrochemical experimental and density functional theoretical (DFT) calculated results suggest that the FeN4 sites tailored with local S atoms are favorable for the adsorption/desorption of oxygen intermediate, resulting in lower activation energy barrier and ultraefficient oxygen reduction catalytic activity. This work provides an atomic‐level combined with porous morphological‐level insights into oxygen reduction catalytic property, promoting rational design and development of novel highly efficient single‐atom catalysts for the renewable energy applications.
The effects of unemployment insurance in late career: Evidence from Social Security offsets
Authors: Toohey Desmond 
Published: September 2021

AbstractThis paper studies the effects of unemployment insurance (UI) benefits for retirement‐age workers. It shows that UI benefits can raise reported search effort and labor force participation for this population. Estimated effects on subsequent employment are positive but small and statistically indistinguishable from zero. The results are contrasted with estimates showing negative effects of UI on reemployment for younger workers. The identifying variation is generated by the elimination of Social Security offsets: state‐level policies that reduce unemployment benefits for Social Security beneficiaries. The findings are consistent with a simple model of UI claiming with participation and work search requirements.