bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predicting the number of sulfur atoms in peptides and small proteins based on the observed aggregated isotope distribution
Authors: Claesen Jürgen , Valkenborg Dirk , Burzykowski Tomasz 
Published: July 2021

RationaleIdentification of peptides and proteins is a challenging task in mass spectrometry–based proteomics. Knowledge of the number of sulfur atoms can improve the identification of peptides and proteins.MethodsIn this article, we propose a method for the prediction of S‐atoms based on the aggregated isotope distribution. The Mahalanobis distance is used as dissimilarity measure to compare mass‐ and intensity‐based features from the observed and theoretical isotope distributions.ResultsThe relative abundance of the second and the third aggregated isotopic variants (as compared to the monoisotopic one) and the mass difference between the second and third aggregated isotopic variants are the most important features to predict the number of S‐atoms.ConclusionsThe mass and intensity accuracies of the observed aggregated isotopic variants are insufficient to accurately predict the number of atoms. However, using a limited set of predictions for a peptide, rather than predicting a single number of S‐atoms, has a reasonably high prediction accuracy.
Parameterization of two‐dimensional approaches in HYDRUS‐2D: Part 1. Simulating water flow dynamics at the field scale
Authors: Varvaris Ioannis , Pittaki‐Chrysodonta Zampela , Duus Børgesen Christen , Iversen Bo V. 
Published: July 2021

AbstractParameterization of theeffective properties as input in hydrogeological models for simulating water flow is a time consuming and costly process, and it is characterized by high uncertainty because of the spatial variability of soil properties. Integrating visible−near‐infrared spectroscopy (vis−NIRS) models and a developed pedotransfer function, a hydrogeological tool was suggested by Varvaris et al. in 2019 for estimating the hydraulic properties used in an equilibrium approach. In the current study, the proposed concept was further expanded for assisting on a rapid and inexpensive parameterization of effective parameters in nonequilibrium models. In our approach, the soil‐water retention curves for the wet and hyper‐dry ends were predicted using existing vis−NIRS calibration models for obtaining the parameters for the Campbell retention model and the Campbell and Shiozawa model, respectively. The HYDRUS‐2D software package was used to simulate tile drainage discharge in a loamy structured field using as initial input hydraulic parameters the output from the suggested concept. The estimated parameters were validated based on measured hydraulic properties in the laboratory. Two‐dimensional models incorporating nonequilibrium flow were used to evaluate the ability of each approach to predict the tile drainage discharge: a single‐porosity with modified van Genuchten function, a dual‐porosity model, and a dual‐permeability model. All approaches gave a fairly good fit to the hydrograph features for both calibration and validation datasets with dual‐porosity to present the highest predictive ability. Finally, the suggested initial parameterization concept proved its potential to be used as an alternative for covering the absence of measured data of soil hydraulic properties.
Lasso estimation of hierarchical interactions for analyzing heterogeneity of treatment effect
Authors: Du Yu , Chen Huan , Varadhan Ravi 
Published: July 2021

Individuals differ in how they respond to a given treatment. In an effort to predict the treatment response and analyze the heterogeneity of treatment effect, we propose a general modeling framework by identifying treatment‐covariate interactions honoring a hierarchical condition. We construct a single‐step norm penalty procedure that maintains the hierarchical structure of interactions in the sense that a treatment‐covariate interaction term is included in the model only when either the covariate or both the covariate and treatment have nonzero main effects. We developed a constrained Lasso approach with two parameterization schemes that enforce the hierarchical interaction restriction differently. We solved the resulting constrained optimization problem using a spectral projected gradient method. We compared our methods to the unstructured Lasso using simulation studies including a scenario that violates the hierarchical condition (misspecified model). The simulations showed that our methods yielded more parsimonious models and outperformed the unstructured Lasso for correctly identifying nonzero treatment‐covariate interactions. The superior performance of our methods are also corroborated by an application to a large randomized clinical trial data investigating a drug for treating congestive heart failure (N = 2569). Our methods provide a well‐suited approach for doing secondary analysis in clinical trials to analyze heterogeneous treatment effects and to identify predictive biomarkers.
Research Progress of Single‐Crystal Nickel‐Rich Cathode Materials for Lithium Ion Batteries
Authors: You Bianzheng , Wang Zhixing , Shen Fang , Chang Yijiao , Peng Wenjie , Li Xinhai , Guo Huajun , Hu Qiyang , Deng Chengwei , Yang Sheng , Yan Guochun , Wang Jiexi 
Published: July 2021

AbstractSingle‐crystal nickel‐rich cathode materials (SC‐NRCMs) are the most promising candidates for next‐generation power batteries which enable longer driving range and reliable safety. In this review, the outstanding advantages of SC‐NRCMs are discussed systematically in aspects of structural and thermal stabilities. Particularly, the intergranular‐crack‐free morphology exhibits superior cycling performance and negligible parasitic reactions even under severe conditions. Besides, various synthetic methods are summarized and the relation between precursor, sintering process, and final single‐crystal products are revealed, providing a full view of synthetic methods. Then, challenges of SC‐NRCMs in fields of kinetics of lithium diffusion and the one particularly occurred at high voltage (intragranular cracks and aggravated parasitic reactions) are discussed. The corresponding mechanism and modifications are also referred. Through this review, it is aimed to highlight the magical morphology of SC‐NRCMs for application perspective and provide a reference for following researchers.
Management of a novel strain of Riemerella Anatipestifer isolated from mandarin ducks (Aix Galericulata) in Australia
Authors: Hill Andrew Gordon 
Published: July 2021

AbstractSix clinically healthy, adult, captive‐reared mandarin ducks from a commercial mixed age, mixed species bird breeder grew positive cultures of Riemerella anatipestifer from pharyngeal swabs during admission into a zoological collection. Treatment with tetracycline 5 g/kg in feed for 14 days resulted in negative pharyngeal swabs at 30 and 100 days post‐treatment. R. anatipestifer has not previously been reported in mandarin ducks in Australia. The present detection suggests that commercially sourced mandarin ducks in Australia should be screened for R. anatipestifer prior to co‐housing with naïve Anseriformes.
Expanding haematoma in a lace monitor (Varanus varius)
Authors: Hill Andrew Gordon 
Published: July 2021

AbstractA captive adult male lace monitor (Varanus varius) was presented with a progressive haematoma of the right shoulder associated with a scapular fracture and arterial rupture. Conservative therapy was ineffective. Closed debridement and talc sclerodhesis effectively collapsed the haematoma; however, subsequent necrosis of the overlying skin required open debridement for resolution by 17 weeks following admission.
Ligand-binding and -scavenging of the chemerin receptor GPR1
Authors: Fischer Tobias F. , Czerniak Anne S. , Weiß Tina , Schoeder Clara T. , Wolf Philipp , Seitz Oliver , Meiler Jens , Beck-Sickinger Annette G. 
Published: July 2021

AbstractTight regulation of cytokines is essential for the initiation and resolution of inflammation. Chemerin, a mediator of innate immunity, mainly acts on chemokine-like receptor 1 (CMKLR1) to induce the migration of macrophages and dendritic cells. The role of the second chemerin receptor, G protein-coupled receptor 1 (GPR1), is still unclear. Here we demonstrate that GPR1 shows ligand-induced arrestin3 recruitment and internalization. The chemerin C-terminus triggers this activation by folding into a loop structure, binding to aromatic residues in the extracellular loops of GPR1. While this overall binding mode is shared between GPR1 and CMKLR1, differences in their respective extracellular loop 2 allowed for the design of the first GPR1-selective peptide. However, our results suggest that ligand-induced arrestin recruitment is not the only mode of action of GPR1. This receptor also displays constitutive internalization, which allows GPR1 to internalize inactive peptides efficiently by an activation-independent pathway. Our results demonstrate that GPR1 takes a dual role in regulating chemerin activity: as a signaling receptor for arrestin-based signaling on one hand, and as a scavenging receptor with broader ligand specificity on the other.
Graphic abstract
Detection of plant virus particles with a capacitive field-effect sensor
Authors: Jablonski Melanie , Poghossian Arshak , Keusgen Michael , Wege Christina , Schöning Michael J. 
Published: July 2021

AbstractPlant viruses are major contributors to crop losses and induce high economic costs worldwide. For reliable, on-site and early detection of plant viral diseases, portable biosensors are of great interest. In this study, a field-effect SiO2-gate electrolyte-insulator-semiconductor (EIS) sensor was utilized for the label-free electrostatic detection of tobacco mosaic virus (TMV) particles as a model plant pathogen. The capacitive EIS sensor has been characterized regarding its TMV sensitivity by means of constant-capacitance method. The EIS sensor was able to detect biotinylated TMV particles from a solution with a TMV concentration as low as 0.025 nM. A good correlation between the registered EIS sensor signal and the density of adsorbed TMV particles assessed from scanning electron microscopy images of the SiO2-gate chip surface was observed. Additionally, the isoelectric point of the biotinylated TMV particles was determined via zeta potential measurements and the influence of ionic strength of the measurement solution on the TMV-modified EIS sensor signal has been studied.
Anti-tumor effects of RTX-240: an engineered red blood cell expressing 4-1BB ligand and interleukin-15
Authors: McArdel Shannon L. , Dugast Anne-Sophie , Hoover Maegan E. , Bollampalli Arjun , Hong Enping , Castano Zafira , Leonard Shannon Curtis , Pawar Sneha , Mellen Jennifer , Muriuki Kelvin , McLaughlin Douglas C. , Bayhi Nicholas , Carpenter Christopher L. , Turka Laurence A. , Wickham Thomas J. , Elloul Sivan 
Published: July 2021

AbstractRecombinant agonists that activate co-stimulatory and cytokine receptors have shown limited clinical anticancer utility, potentially due to narrow therapeutic windows, the need for coordinated activation of co-stimulatory and cytokine pathways and the failure of agonistic antibodies to recapitulate signaling by endogenous ligands. RTX-240 is a genetically engineered red blood cell expressing 4-1BBL and IL-15/IL-15Rα fusion (IL-15TP). RTX-240 is designed to potently and simultaneously stimulate the 4-1BB and IL-15 pathways, thereby activating and expanding T cells and NK cells, while potentially offering an improved safety profile through restricted biodistribution. We assessed the ability of RTX-240 to expand and activate T cells and NK cells and evaluated the in vivo efficacy, pharmacodynamics and tolerability using murine models. Treatment of PBMCs with RTX-240 induced T cell and NK cell activation and proliferation. In vivo studies using mRBC-240, a mouse surrogate for RTX-240, revealed biodistribution predominantly to the red pulp of the spleen, leading to CD8 + T cell and NK cell expansion. mRBC-240 was efficacious in a B16-F10 melanoma model and led to increased NK cell infiltration into the lungs. mRBC-240 significantly inhibited CT26 tumor growth, in association with an increase in tumor-infiltrating proliferating and cytotoxic CD8 + T cells. mRBC-240 was tolerated and showed no evidence of hepatic injury at the highest feasible dose, compared with a 4-1BB agonistic antibody. RTX-240 promotes T cell and NK cell activity in preclinical models and shows efficacy and an improved safety profile. Based on these data, RTX-240 is now being evaluated in a clinical trial.
Die Mischung macht’s eben? Blended-Psychotherapie als Ansatz der Digitalisierung in der Psychotherapie
Authors: Bielinski Laura Luisa , Trimpop Leonie , Berger Thomas 
Published: July 2021

Zusammenfassung
Hintergrund
Über die letzten Jahrzehnte wurden verschiedene Ansätze zur Digitalisierung der Psychotherapie (PT) entwickelt. Eine Behandlungsform stellt die Kombination von „Face-to-face“-PT und Online-Interventionen, die „Blended-PT“, dar. Während das Forschungsinteresse zu Blended-PT in den letzten Jahren zugenommen hat, wurde die praktische Anwendung von Blended-PT im deutschsprachigen Raum bisher weniger stark umgesetzt. Auch bedingt durch die globale, durch die „coronavirus disease 2019“ (COVID-19) ausgelöste Pandemie gewinnen Blended-PT und andere Online-Ansätze zunehmend an Bedeutung.

Ziel der Arbeit
Ein Überblick zum Thema und zu verschiedenen Formen von Blended-PT wird gegeben. Im Weiteren wird auf die Wirksamkeit, die Sicht der Patient:innen und Therapeut:innen sowie auf das Thema der Implementierung eingegangen.

Material und Methoden
Narrative Übersicht der Literatur zum Thema Blended-PT; auf Basis einer umfassenden Suche werden wichtige Überlegungen und Befunde eingeordnet und beschrieben.

Ergebnisse
Der Begriff der Blended-PT wird bisher uneinheitlich verwendet. In Anlehnung an Blended-Learning-Ansätze können „blends“ auf verschiedenen Ebenen stattfinden. Es kann zwischen ergänzenden und transformierenden Blends unterschieden werden. In transformierenden Blends verändert das Format die Face-to-face-PT grundlegend. Zu einigen Blended-PT-Formen gibt es bereits Wirksamkeitsbelege, zu anderen besteht dringender Forschungsbedarf. Im Vergleich zu Face-to-face-PT und reiner Online-Therapie könnte die Blended-PT verschiedene Vorteile bieten.

Schlussfolgerung
Das Interesse an Blended-PT wächst aufseiten von Patient:innen und Therapeut:innen. Um evidenzbasierte Blended-PT erfolgreich anbieten zu können, bedarf es der engen Zusammenarbeit zwischen Wissenschaft, Institutionen, Therapeut:innen und Kostenträgern im Gesundheitssystem.
Softarisons: theory and practice
Authors: Alcantud José Carlos R. 
Published: July 2021

AbstractThis paper introduces the concept of softarison. Softarisons merge soft set theory with the theory of binary relations. Their purpose is the comparison of alternatives in a parameterized environment. We develop the basic theory and interpretations of softarisons. Then, the normative idea of ‘optimal’ alternatives is discussed in this context. We argue that the meaning of ‘optimality’ can be adjusted to fit in with the structure of each problem. A sufficient condition for the existence of an optimal alternative for unrestricted sets of alternatives is proven. This result means a counterpart of Weierstrass extreme value theorem for softarisons; thus, it links soft topology with the act of choice. We also provide a decision-making procedure—the minimax algorithm—when the alternatives are compared through a softarison. A case-study in the context of group interviews illustrates both the application of softarisons as an evaluation tool, and the computation of minimax solutions.
A Comprehensive Review of COVID-19 Virology, Vaccines, Variants, and Therapeutics
Authors: Forchette Lauren , Sebastian William , Liu Tuoen 
Published: July 2021

SummarySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative pathogen of the coronavirus disease 2019 (COVID-19), has caused more than 179 million infections and 3.8 million deaths worldwide. Throughout the past year, multiple vaccines have already been developed and used, while some others are in the process of being developed. However, the emergence of new mutant strains of SARS-CoV-2 that have demonstrated immune-evading characteristics and an increase in infective capabilities leads to potential ineffectiveness of the vaccines against these variants. The purpose of this review article is to highlight the current understanding of the immunological mechanisms of the virus and vaccines, as well as to investigate some key variants and mutations of the virus driving the current pandemic and their impacts on current management guidelines. We also discussed new technologies being developed for the prevention, treatment, and detection of SARS-CoV-2. In this paper, we thoroughly reviewed and provided crucial information on SARS-CoV-2 virology, vaccines and drugs being used and developed for its prevention and treatment, as well as important variant strains. Our review paper will be beneficial to health care professionals and researchers so they can have a better understanding of the basic sciences, prevention, and clinical treatment of COVID-19 during the pandemic. This paper consists of the most updated information that has been available as of June 21, 2021.
Nano-channel-based physical and chemical synergic regulation for dendrite-free lithium plating
Authors: Guo Qiang , Deng Wei , Xia Shengjie , Zhang Zibo , Zhao Fei , Hu Binjie , Zhang Sasa , Zhou Xufeng , Chen George Zheng , Liu Zhaoping 
Published: July 2021

AbstractUncontrollable dendrite growth resulting from the non-uniform lithium ion (Li+) flux and volume expansion in lithium metal (Li) negative electrode leads to rapid performance degradation and serious safety problems of lithium metal batteries. Although N-containing functional groups in carbon materials are reported to be effective to homogenize the Li+ flux, the effective interaction distance between lithium ions and N-containing groups should be relatively small (down to nanometer scale) according to the Debye length law. Thus, it is necessary to carefully design the microstructure of N-containing carbon materials to make the most of their roles in regulating the Li+ flux. In this work, porous carbon nitride microspheres (PCNMs) with abundant nanopores have been synthesized and utilized to fabricate a uniform lithiophilic coating layer having hybrid pores of both the nano- and micrometer scales on the Cu/Li foil. Physically, the three-dimensional (3D) porous framework is favorable for absorbing volume changes and guiding Li growth. Chemically, this coating layer can render a suitable interaction distance to effectively homogenize the Li+ flux and contribute to establishing a robust and stable solid electrolyte interphase (SEI) layer with Li-F, Li-N, and Li-O-rich contents based on the Debye length law. Such a physical-chemical synergic regulation strategy using PCNMs can lead to dendrite-free Li plating, resulting in a low nucleation overpotential and stable Li plating/stripping cycling performance in both the Li‖Cu and the Li‖Li symmetric cells. Meanwhile, a full cell using the PCNM coated Li foil negative electrode and a LiFePO4 positive electrode has delivered a high capacity retention of ∼ 80% after more than 200 cycles at 1 C and achieved a remarkable rate capability. The pouch cell fabricated by pairing the PCNM coated Li foil negative electrode with a NCM 811 positive electrode has retained ∼ 73% of the initial capacity after 150 cycles at 0.2 C.
Effects of miscible CO2 injection on production recovery
Authors: Abdullah Nurafiqah , Hasan Nurul 
Published: July 2021

AbstractCarbon dioxide (CO2) injection is implemented into the reservoir to further improve the oil production efficiency, by mixing with oil at reservoir condition, and becomes miscible. The miscibility affects the oil to become swelled and less viscous and thus easily flow through the reservoir. Most of the (CO2) EOR projects has higher recovery factor in miscible condition. Therefore, this article aims to determine the effects of the miscible (CO2) injection on production recovery in the Cornea Field. The Cornea Field is located in Browse Basin, Western Australia. It is a simple trap structure which is elongated and formed by unfaulted drape anticline over an eroded high basement. The importance of this research is that (CO2) injection has not been implemented in the Cornea Field since it is a complex reservoir. However, research showed that there was a high potential production recovery in this field. Therefore, research needs to be conducted to determine the effectiveness of the (CO2) injection on production recovery in this field. The model was validated, by comparing MMP obtained from the simulation model and correlation methods. The MMP of this reservoir is above 38 Bar. Sensitivity analysis on reservoir pressure, reservoir temperature and (CO2) injection rate was investigated. Oil production increases with the increase in reservoir pressure and reservoir temperature. As the (CO2) injection rate increases, oil production also increased. From the result, hence, this study should contribute to the knowledge gap in Cornea Field.
Study of the Sensing Characteristics of Irradiated Fiber Bragg Gratings and Fabry-Perot Interferometers Under Gamma Radiation
Authors: Li Zhuoyue , Ran Zengling , Qing Xianguo , He Zhengxi , Xiao Yaqin , Yang Tingting , He Xiu , Zhu Jialiang , He Peng , Xu Sijie 
Published: July 2021

AbstractThe sensing characteristics of irradiated fiber Bragg gratings (FBGs) and Fabry-Perot interferometers (FPIs) were investigated under a 2 MGy dose of gamma radiation. The study found that the pressure sensitivity of FP sensors after irradiation was stable, while the temperature sensitivity of FBG sensors was unstable, and both wavelengths displayed a shift. These findings offer the possibility for the application of FP pressure sensors in the gamma radiation environments, and FBG sensors require further research to be suitable for application in the nuclear radiation environments.
Optimization of banana crop by-products solvent extraction for the production of bioactive compounds
Authors: Díaz Sara , Benítez Antonio N. , Ramírez-Bolaños Sara , Robaina Lidia , Ortega Zaida 
Published: July 2021

AbstractThe aim of this work is the optimization of phenolic compound extraction from three by-products of banana crops (rachis, discarded banana, and banana’s pseudostem pulp), as a way to valorize them through a green extraction process. The influence of the temperature and aqueous ethanol concentration (Et-OH) on extract properties (total phenol content (TPC) and antioxidant activity) was firstly analyzed. 78 ℃ and ethanol concentrations close to 50% yielded the best results for the three materials. The equations obtained by the response surface methodology gave a satisfactory description of the experimental data, allowing optimizing the extraction conditions. Under optimized conditions, time influence was then assessed, although this parameter seemed not influence results. Among the three by-products, rachis extract (60% Et-OH, 78 ℃, and 30 min) presented the highest TPC (796 mg gallic acid/100 g of dried material) and antioxidant activity (6.51 mg Trolox equivalents/g of dried material), followed by discarded banana, and pseudostem pulp. Under the optimal conditions, experiments were performed at a larger scale, allowing to determine the extraction yields (EY) and to characterize the extracts. The highest EY was obtained for the rachis (26%), but the extract with the highest activity was obtained for discarded banana (50% Et-OH, 78 ℃, and 60 min), which presented a TPC of 27.26 mg/g extract corresponding to 54.59 mg Trolox equivalents/g extract. This study contributes to the valorization of banana crops residues as a source of polyphenolic compounds with bioactive functions that can be extracted under economic extraction conditions.
Graphical abstract