bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemometric approach based on multivariate analysis for discriminating uvaia (Eugenia pyriformis Cambess) fruits during the ripening stages: Physicochemical characteristics, bioactive compounds, and antioxidant activity
Authors: Sganzerla William Gustavo , da Silva Aline Priscilla Gomes , Castro Luiz Eduardo Nochi , da Rosa Cleonice Gonçalves , Komatsu Roberto Akitoshi , Nunes Michael Ramos , Ferrareze Jocleita Peruzzo , Veeck Ana Paula de Lima 
Published: March 2022

AbstractBackgroundUvaia (Eugenia pyriformis Cambess) is a native fruit from the Brazilian Atlantic rainforest with very peculiar aroma and flavor characteristics. However, the behavior of this fruit during the ripening was not reported in the literature. Therefore, this study aimed to evaluate the physicochemical characterization, nutritional composition, bioactive compounds, and antioxidant activity of uvaia fruits collected from six different ripening stages. Hence, chemometric approach based on multivariate analysis was used for discriminating uvaia fruits during the ripening stages.ResultsThe results demonstrate that ashes, carbohydrates, and soluble solids increased according to the ripening. The uvaia fruits presented a green color at the first stage and a notable yellow color in the last ripening stage, which is a characteristic of the species. Regarding the phenolic compounds, high content was observed, with the highest accumulation in the last ripening stage, positively correlated with the antioxidant activity. The samples were discriminated by principal component analysis in four different groups, and each group was joined according to the ripening stage. The fruits on the first ripening stage were discriminated mainly by the highest acidity and vitamin C content, and a significant difference was observed in the multivariate analysis between the beginning and the end of the ripening stage of uvaia.ConclusionThe fruits collected at the end of ripening presented adequate nutritional potential and should be used for fresh consumption. However, depending on the characteristics for industrial processing, the use of fruits from intermediate ripening can be an advantage for the formulation of processed products.
Unique green chromatography method for the determination of serotonin receptor antagonist (Ondansetron hydrochloride) related substances in a liquid formulation, robustness by quality by design‐based design of experiments approach
Authors: Kowtharapu Leela Prasad , Katari Naresh Kumar , Sandoval Christian A , Muchakayala Siva Krishna , Rekulapally Vijay Kumar 
Published: March 2022

AbstractSerotonin receptor antagonist drug Ondansetron hydrochloride injectable formulation containing all related substances was identified and quantified by a single, simple, sensitive, eco‐friendly, and green high‐performance liquid chromatography method. The disseverment of all impurities was achieved with the Discovery Cyano (250 × 4.6) mm, 5 μm column. The gradient program was composed of pH 5.7 phosphate buffer as mobile phase A and acetonitrile as mobile phase B. The flow rate, column compartment temperature, and detection wavelengths were 0.9 mL/min, 30°C, and 216 nm, respectively. The method was validated as per current regulatory guidelines. The obtained %relative standard deviation for the precision results was between 0.55 and 2.72% for all impurities. The correlation coefficient values from the linearity experiment for impurities and analyte were more than 0.995. The accuracy results were obtained between 88.4 and 113.0% for all impurities. Both sample and standard solutions showed 24 h stability at benchtop and refrigerator conditions. All impurities and analytes met the specificity and mass balance for all forced degradation conditions. Quality‐by‐design‐based design of experiments was utilized to establish the method's robustness. Method greenness was assessed by using the current advanced tool green analytical procedure index, National Environmental Methods Index, and analytical eco‐scale.
Dopamine Functionalized Polyethylene Glycol for Improving Stability of Gold Nanoparticles against Reactive Oxygen Species in Serum
Authors: Kang Jing , Wu Fei‐Zheng , Xue Yao , Li Zhi‐Han , Wang Yu‐Xi , Liu Kun 
Published: March 2022

AbstractPEGylation is the most effective antifouling method for the surface modification of gold nanoparticles (AuNPs). However, thiol‐terminated polyethylene glycol (PEG) ligands tethered on the AuNPs are instable in serum and can detach from the AuNP surface, resulting in a significant reduce of their antifouling properties. Herein, it is reported that reactive oxygen species (ROS) is a major factor causing the detachment of PEG ligands from AuNP surfaces. By covalently backfilling dopamine‐functionalized PEG on the AuNPs, the stability of PEG ligands on AuNP surface and the antifouling ability of AuNPs can be effectively improved. Tuning the balance between ROS and dopamine‐functionalized PEG can be used as a new strategy to control the self‐assembly of AuNPs and serum proteins.
Technical note: Analysis of brachytherapy source movement by high‐speed camera
Authors: Okamoto Hiroyuki , Iijima Kotaro , Chiba Takahito , Takemori Mihiro , Nakayama Hiroki , Fujii Kyohei , Kon Mitsuhiro , Mikasa Shohei , Nakaichi Tetsu , Urago Yuka , Aikawa Ako , Katsuta Shyouichi , Nakamura Satoshi , Igaki Hiroshi 
Published: March 2022

AbstractPurposeTo assess the accuracy of the movement of a brachytherapy source using a high‐speed camera for evaluating source position, dwell time, and transit dose.MethodsA high‐speed camera was used to record the source position of an Ir‐192 source relative to a ruler within a custom positioning jig in a remote afterloading system. The analyzed frames can be used to assess dwell positions and times. Treatment plans had multiple dwell times equal to 0.1, 0.5, 1.0, and 2.0 s in 2.5‐ and 5‐mm step sizes. Images were acquired at a rate of 146 frames/s. Acquired images were processed to automatically track the actual source using the correlation between a template image and each frame. The brachytherapy dose calculation formalism (AAPM TG43‐U1) was applied to each frame to evaluate the transit dose contribution to the total dose.ResultsThe differences in measured source positions from the nominal for dwell times equal to 0.1, 0.5, 1.0, and 2.0 s in treatment plans were approximately ≤1 mm. The corresponding differences in measured dwell times from the nominal values at 5 mm steps were −15, −9, −5, and 5 ms, respectively. The source velocities at 5 mm steps were approximately 393 mm/s. The dose differences at 5 mm from the source movement with and without the transit dose for these dwell times were 38%, 7%, 3%, and 2%, respectively.ConclusionsRecording a brachytherapy source using a high‐speed camera allowed the evaluation of positional and dwell time accuracies as well as dosimetry assessments, such as the transit dose, based on the application of AAPM TG‐43U1.
A free‐interface component mode synthesis of moving contact multibodies and its application to gear contacts
Authors: Yao Jia‐Lun , Shu Xuan‐Bo , Ren Ge‐Xue 
Published: March 2022

AbstractMoving contact components are common in mechanical systems, and they exhibit a large rigid motion with linear‐elastic deflection under contact boundary conditions. The finite element method can capture local deformation and high gradient stresses, but finely meshed contact interfaces lead to numerous degrees of freedom. Model order reduction techniques for multibodies are effective, but moving contact interfaces also introduce multiple interface degrees of freedom. In the present method, the interface degrees of freedom are retained to ensure the accuracy of the local response induced by contacts, but the computational scale is not further enlarged. The motion of moving contact components is described by the floating frame of reference formulation. A free‐interface component mode synthesis method is proposed for model order reduction. Kept free‐interface normal modes represent global flexibility and residual modes accurately compensate for the local quasi‐static responses of omitted modes induced by contacts. The contribution of residual modes is represented by interface load coordinates, which can be directly evaluated by contact forces. The contacts are calculated with the present contact algorithm. The accuracy and efficiency of the proposed method are fully demonstrated through correlation with the finite element method in gear meshing simulations.
Assessment of pharmacokinetic linearity after repeated drug administration
Authors: Bauer Alexander , Kagedal Matts , Wolfsegger Martin J. 
Published: March 2022

AbstractThe prediction of drug concentration time courses after different dosing scenarios is greatly facilitated if the pharmacokinetics (PK) can be assumed linear. The assumption of linear PK thus needs careful evaluation for any new drug in development. Under linear PK, exposure is proportional to dose (linear PK across doses) and exposure at steady state can be predicted from a single dose based on the superposition principle (linear PK over time). While investigation of dose‐proportionality is common practice, evaluation of time dependent PK has received less attention in the literature. In particular, the superposition principle can be used to assess whether the observed extent of accumulation after repeated administration is expected under the premise of linear PK. This work emphasizes the importance of the time related aspect of linear PK by introducing the predictability ratio (PR). Linear PK over time can be concluded if PR = 1. Accumulation is higher than expected if PR >1, and lower if PR <1. If PK data from multiple dose cohorts are available, the PR is assessed for each dose cohort and a supportive hypothesis test can be applied to test for potential differences between doses in PR.
Block sparse design of distributed controllers for dynamical network systems
Authors: Adachi Ryosuke , Yamashita Yuh , Kobayashi Koichi 
Published: March 2022

AbstractThis study proposes a controller design method based on block sparse optimization for dynamical network systems. The objective of the controller is to stabilize dynamical network systems with a given convergence rate. The block sparse optimization minimizes the number of controlled nodes. This study is unique in that the structure of the controller is constrained by the network topology of the system. Additionally, the proposed design problem is separable in terms of the distributed optimization over networks. The proposed method is applicable to controller design for the pinning control of consensus systems and the optimal vaccine allocation for epidemic spreading processes.
A switching adaptive scheme for global output‐feedback stabilization of inherent nonlinear systems with unknown control direction
Authors: Man Yongchao , Liu Yungang 
Published: March 2022

AbstractThis article is devoted to the global output‐feedback stabilization of nonlinear systems with unknown control directions and unmeasured states dependent growth whose rate is an unknown arbitrary function of output. In view of limited capability of continuous feedback in compensating system uncertainties and nonlinearities, a novel switching adaptive scheme is proposed. The scheme involves a logic‐based switching mechanism, based on which, a proper controller is selected (from a family of candidate controllers) to act on the system during its execution interval. The main differences between the proposed scheme and those in the related works are as follows. First, the set of candidate controllers is determined online, rather than specified in advance, which provides foundations for compensating arbitrary function‐of‐output growth rate. Second, an iterative function composed of system memory signals is introduced into the switching mechanism, aiming to evaluate the differences between the system states and observe states. Finally, when switching stops, only by introducing an extra transformation and adopting elaborate analysis, can the boundedness of the closed‐loop system signals be obtained, rather than those in the related works where the boundedness can be naturally established once switching stops. The constructed switching adaptive controller guarantees that all the signals of the resulting closed‐loop system are bounded and ultimately converge to zero.
Water repellency prediction in high‐organic Greenlandic soils: Comparing vis–NIRS to pedotransfer functions
Authors: Blaesbjerg Natasha H. , Weber Peter L. , de Jonge Lis Wollesen , Moldrup Per , Greve Mogens H. , Arthur Emmanuel , Knadel Maria , Hermansen Cecilie 
Published: March 2022

AbstractSoil water repellency (SWR) is a common phenomenon across agricultural soils of South Greenland that can negatively affect soil functions. Existing methods to measure SWR as a function of water content (w) are laborious. This study was conducted to compare the potential of visible–near‐infrared spectroscopy (vis–NIRS) as an alternative method to pedotransfer functions (PTFs) for predicting four SWR indices in 143 agricultural soils from South Greenland (clay, 0.016–0.172 kg kg–1; organic carbon (OC), 0.009–0.241 kg kg–1). Pedotransfer functions were established by multiple linear regression based on OC, clay, and pH. Partial least squares regression (PLS‐R) and interval PLS‐R were applied to build vis–NIRS prediction models (vis–NIR range 400–2,500 nm). The area under the SWR–w curve (SWRarea) and the critical soil water content (wnon) were accurately predicted by PTFs (R2 = .90; R2adj = .91) while the SWR after 60 °C pretreatment (SWR60), and the integrative repellency dynamic index (IRDI) were predicted less accurately (R2adj = .36; R2adj = .27). Vis‐NIRS models with variable selection performed at a better or close to the same level of accuracy as PTFs (SWRarea, R2 = .88; wnon, R2 = .90; SWR60, R2 = .63; IRDI, R2 = .54). This study demonstrated vis–NIRS as a valuable alternative to PTFs for rapid assessment of SWR and as a tool for SWR mitigation for farmers in South Greenland. The results may well apply to other regions with similar texture and OC ranges, but further testing is required.
Highly Efficient One‐pot Aerobic Synthesis of α‐Aminophosphonate from Alcohols: Dual Catalytic Effect of Tetrabutylammonium Tribromide (TBATB)
Authors: Kazemi Foad , Shariati Yadollah , Kaboudin Babak 
Published: March 2022

AbstractIn this work, a simple, metal‐free, and homogeneous two steps one‐pot method for the synthesis of α‐aminophosphonate in the presence of tetrabutylammonium tribromide (TBATB) from alcohol was reported. Interestingly TBATB showed catalytic effect for both photo tuanable aerobic oxidation of alcohol (including electron rich and poor) and α‐aminophosphonate synthesis from in situ prepared aldehyde. Also, more interestingly efficiency of the synthesis is higher for starting from alcohols than aldehyde. The optimized condition including: solvent, catalyst amounts, photo and thermal factors was considered. Various derivatives of benzyl alcohol and aniline participated well in this reaction and produced the corresponding α‐aminophosphonates efficiently.
Catalysts Based on the C−H⋅⋅⋅M Weak Interaction: Synthesis, Characterization and Catalytic Application of Bis(pyrazolyl)borate Cu(I) Complexes in Carbene Insertion into Heteroatom Hydrogen Bonds
Authors: Zhao Qianyi , Yao Qiu‐Yue , Dou Ting , Xu Ting , Zhang Jie , Chen Xuenian 
Published: March 2022

AbstractA series of new copper(I) complexes [BBN(3‐R1‐4‐R2‐5‐R3‐pz)2]Cu(I) (BBN=9‐borabicyclo[3.3.1]nonane; pz=pyrazole) have been synthesized and fully characterized. Single crystal studies of these complexes showed weak intramolecular C−H⋅⋅⋅Cu interactions which can be assigned as agostic or anagostic interactions. Their catalytic application in carbene insertion into N−H and B−H bonds demonstrates wide substrate scope, high yields and selectivity.
Low‐Loss Tunable Infrared Plasmons in the High‐Mobility Perovskite (Ba,La)SnO3
Authors: Yang Hongbin , Konečná Andrea , Xu Xianghan , Cheong Sang‐Wook , Garfunkel Eric , García de Abajo F. Javier , Batson Philip E. 
Published: March 2022

AbstractBaSnO3 exhibits the highest carrier mobility among perovskite oxides, making it ideal for oxide electronics. Collective charge carrier oscillations known as plasmons are expected to arise in this material, thus providing a tool to control the nanoscale optical field for optoelectronics applications. Here, the existence of relatively long‐lived plasmons supported by high‐mobility charge carriers in La‐doped BaSnO3 (BLSO) is demonstrated. By exploiting the high spatial and energy resolution of electron energy‐loss spectroscopy with a focused beam in a scanning transmission electron microscope, the dispersion, confinement ratio, and damping of infrared localized surface plasmons (LSPs) in BLSO nanoparticles are systematically investigated. It is found that LSPs in BLSO exhibit a high degree of spatial confinement compared to those sustained by noble metals and have relatively low losses and high quality factors with respect to other doped oxides. Further analysis clarifies the relation between plasmon damping and carrier mobility in BLSO. The results support the use of nanostructured degenerate semiconductors for plasmonic applications in the infrared region and establish a solid alternative to more traditional plasmonic materials.
Controllable Preparation of 2D Vertical van der Waals Heterostructures and Superlattices for Functional Applications
Authors: Li Jia , Liang Jingyi , Yang Xiangdong , Li Xin , Zhao Bei , Li Bo , Duan Xidong 
Published: March 2022

Abstract2D van der Waals heterostructures (vdWHs) and superlattices (SLs) with exotic physical properties and applications for new devices have attracted immense interest. Compared to conventionally bonded heterostructures, the dangling‐bond‐free surface of 2D layered materials allows for the feasible integration of various materials to produce vdWHs without the requirements of lattice matching and processing compatibility. The quality of interfaces in artificially stacked vdWHs/vdWSLs and scalability of production remain among the major challenges in the field of 2D materials. Fortunately, bottom‐up methods exhibit relatively high controllability and flexibility. The growth parameters, such as the temperature, precursors, substrate, and carrier gas, can be carefully and comprehensively controlled to produce high‐quality interfaces and wafer‐scale products of vdWHs/vdWSLs. This review focuses on three types of bottom‐up methods for the assembly of vdWHs and vdWSLs with atomically clean and electronically sharp interfaces: chemical/physical vapor deposition, metal‐organic chemical vapor deposition, and ultrahigh vacuum growth. These methods can intuitively illustrate the great flexibility and controllability of bottom‐up methods for the preparation of vdWHs/vdWSLs. The latest progress in vdWHs and vdWSLs, related physical phenomena, and (opto)electronic devices are summarized. Finally, the authors discuss current challenges and future perspectives in the synthesis and application of vdWHs and vdWSLs.
Urea‐Mediated Monoliths Made of Nitrogen‐Enriched Mesoporous Carbon Nanosheets for High‐Performance Aqueous Zinc Ion Hybrid Capacitors
Authors: Shang Ping , Liu Min , Mei Yingying , Liu Yuanhao , Wu Lisha , Dong Yanfeng , Zhao Zongbin , Qiu Jieshan 
Published: March 2022

AbstractAqueous zinc ion hybrid capacitors (aZHCs) are of great potential for large‐scale energy storage and flexible wearable devices, of which the specific capacity and energy density need to be further enhanced for practical applications. Herein, a urea‐mediated foaming strategy is reported for the efficient synthesis of monoliths consisting of nitrogen‐enriched mesoporous carbon nanosheets (NPCNs) by prefoaming drying a solution made of polyvinylpyrrolidone, zinc nitrate, and urea at low temperatures, foaming and annealing at high temperatures, and subsequent acid etching. NPCNs have a large lateral size of ≈40 µm, thin thickness of ≈55 nm, abundant micropores and mesopores (≈3.8 nm), and a high N‐doping value of 9.7 at.%. The NPCNs as the cathode in aZHCs provide abundant zinc storage sites involving both physical and chemical adsorption/desorption of Zn2+ ions, and deliver high specific capacities of 262 and 115 mAh g−1 at 0.2 and 10 A g−1, and a remarkable areal capacity of ≈0.5 mAh cm−2 with a mass loading of 5.3 mg cm−2, outperforming most carbon cathodes reported thus far. Moreover, safe and flexible NPCNs based quasi‐solid‐state devices are fabricated, which can withstand drilling and mechanical bending, suggesting their potential applications in wearable devices.
A three‐range approach enhances the prognostic utility of CSF biomarkers in Alzheimer's disease
Authors: Brum Wagner S. , de Bastiani Marco Antônio , Bieger Andrei , Therriault Joseph , Ferrari‐Souza João P. , Benedet Andréa L. , Saha‐Chaudhuri Paramita , Souza Diogo O. , Ashton Nicholas J. , Zetterberg Henrik , Pascoal Tharick A. , Karikari Thomas , Blennow Kaj , Rosa‐Neto Pedro , Zimmer Eduardo R. ,   Alzheimer's Disease Neuroimaging Initiative (ADNI)
Published: March 2022

AbstractIntroductionAlzheimer's disease consensus recommends biomarker dichotomization, a practice with well‐described clinical strengths and methodological limitations. Although neuroimaging studies have explored alternative biomarker interpretation strategies, a formally defined three‐range approach and its prognostic impact remains under‐explored for cerebrospinal fluid (CSF) biomarkers .MethodsWith two‐graph receiver‐operating characteristics based on different reference schemes, we derived three‐range cut‐points for CSF Elecsys biomarkers. According to baseline CSF status, we assessed the prognostic utility of this in predicting risk of clinical progression and longitudinal trajectories of cognitive decline and amyloid–beta (Aβ) positron emission tomography (PET) accumulation in non‐demented individuals (Alzheimer's Disease Neuroimaging Initiative [ADNI]; n = 1246). In all analyses, we compared herein‐derived three‐range CSF cut‐points to previously described binary ones.ResultsIn our main longitudinal analyses, we highlight CSF p‐tau181/Aβ1‐42 three‐range cut‐points derived based on the cognitively normal Aβ‐PET negative versus dementia Aβ‐PET positive reference scheme for best depicting a prognostically relevant biomarker abnormality range. Longitudinally, our approach revealed a divergent intermediate cognitive trajectory undetected by dichotomization and a clearly abnormal group at higher risk for cognitive decline, with power analyses suggesting the latter group as potential trial enrichment candidates. Furthermore, we demonstrate that individuals with intermediate‐range CSF status have similar rates of Aβ deposition to those in the clearly abnormal group.DiscussionThe proposed approach can refine clinico‐biological prognostic assessment and potentially enhance trial recruitment, as it captures faster biomarker‐related cognitive decline in comparison to binary cut‐points. Although this approach has implications for trial recruitment and observational studies, further discussion is needed regarding clinical practice applications.