bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular dynamics analysis of the binding of human interleukin‐6 with interleukin‐6 α‐receptor
Authors: Gupta Madhulika , Ha Khanh , Agarwal Rupesh , Quarles Leigh Darryl , Smith Jeremy C. 
Published: September 2020

AbstractHuman interleukin‐6 (hIL‐6) is a multifunctional cytokine that regulates immune and inflammatory responses in addition to metabolic and regenerative processes and cancer. hIL‐6 binding to the IL‐6 receptor (IL‐6Rα) induces homodimerization and recruitment of the glycoprotein (gp130) to form a hexameric signaling complex. Anti‐IL‐6 and IL‐6R antibodies are clinically approved inhibitors of IL‐6 signaling pathway for treating rheumatoid arthritis and Castleman's disease, respectively. There is a potential to develop novel small molecule IL‐6 antagonists derived from understanding the structural basis for IL‐6/IL‐6Rα interactions. Here, we combine homology modeling with extensive molecular dynamics (MD) simulations to examine the association of hIL‐6 with IL‐6Rα. A comparison with MD of apo hIL‐6 reveals that the binding of hIL‐6 to IL‐6Rα induces structural and dynamic rearrangements in the AB loop region of hIL‐6, disrupting intraprotein contacts and increasing the flexibility of residues 48 to 58 of the AB loop. In contrast, due to the involvement of residues 59 to 78 in forming contacts with the receptor, these residues of the AB loop are observed to rigidify in the presence of the receptor. The binary complex is primarily stabilized by two pairs of salt bridges, Arg181 (hIL‐6)‐ Glu182 (IL‐6Rα) and Arg184 (hIL‐6)‐ Glu183 (IL‐6Rα) as well as hydrophobic and aromatic stacking interactions mediated essentially by Phe residues in both proteins. An interplay of electrostatic, hydrophobic, hydrogen bonding, and aromatic stacking interactions facilitates the formation of the hIL‐6/IL‐6Rα complex.
First‐principle investigation of XSrH3 (X = K and Rb) perovskite‐type hydrides for hydrogen storage
Authors: Raza Hafiz Hamid , Murtaza G. , Umm‐e‐Hani  , Muhammad Nawaz , Ramay Shahid M. 
Published: September 2020

AbstractHydrogen can be utilized as an energy source; therefore, hydrogen storage has received the most appealing examination interest in recent years. The investigations of hydrogen storage applications center fundamentally around the examination of hydrogen capacity abilities of recently presented compounds. XSrH3 (X = K and Rb) compounds have been examined by density functional theory (DFT) calculations to uncover their different characteristics, as well as hydrogen capacity properties, for the first time. Studied compounds are optimized in the cubic phase, and optimized lattice constants are obtained as 4.77 and 4.99 Å for KSrH3 and RbSrH3, respectively. These hydrides have shown negative values of formation enthalpies as they are stable thermodynamically. XSrH3 might be used in hydrogen storage applications because of high gravimetric hydrogen storage densities, which are 2.33 and 1.71 wt% for KSrH3 and RbSrH3, respectively. Moreover, electronic properties confirm the semiconductor nature of these compounds having indirect band gaps of values 1.41 and 1.23 eV for KSrH3 and RbSrH3, respectively. In addition, mechanical properties from elastic constants such as Young modulus and Pugh's ratio, also have been investigated, and these compounds were found to satisfy born stability conditions. Furthermore, Pugh's ratio and Cauchy pressure show that these hydrides have a brittle nature. Furthermore, thermodynamic properties such as entropy and Debye temperature have been examined using the quasiharmonic Debye model for different temperatures and pressures.
Research Ethics in Economics: What If Economists and Their Subjects Are Not Rational?
Authors: Yalcintas Altug , Kösel Eylül Seren 
Published: September 2020

AbstractEconomists and their subjects are not always rational. The problem is so significant that economics is not able to satisfy the principal criterion for science that several philosophers of science have formulated since the logical positivists in the Vienna Circle in the 1920s: In order for a theorem to be meaningful, it has to be confirmed by the facts of the world. The increasing frequency of unverified and invalidated theories in economics suggests that economics suffers from the consequences of a questionable research practice in the processes of scientific knowledge production – the practice of refusing to reject theories that are invalidated by hard evidence and counter argumentation.
Symmetry-enriched quantum spin liquids in (3 + 1)d
Authors: Hsin Po-Shen , Turzillo Alex 
Published: September 2020

Abstract
We use the intrinsic one-form and two-form global symmetries of (3+1)d bosonic field theories to classify quantum phases enriched by ordinary (0-form) global symmetry. Different symmetry-enriched phases correspond to different ways of coupling the theory to the background gauge field of the ordinary symmetry. The input of the classification is the higher-form symmetries and a permutation action of the 0-form symmetry on the lines and surfaces of the theory. From these data we classify the couplings to the background gauge field by the 0-form symmetry defects constructed from the higher-form symmetry defects. For trivial two-form symmetry the classification coincides with the classification for symmetry fractionalizations in (2 + 1)d. We also provide a systematic method to obtain the symmetry protected topological phases that can be absorbed by the coupling, and we give the relative ’t Hooft anomaly for different couplings. We discuss several examples including the gapless pure U(1) gauge theory and the gapped Abelian finite group gauge theory. As an application, we discover a tension with a conjectured duality in (3 + 1)d for SU(2) gauge theory with two adjoint Weyl fermions.
The first law of black hole mechanics in the Einstein-Maxwell theory revisited
Authors: Elgood Zachary , Meessen Patrick , Ortín Tomás 
Published: September 2020

Abstract
We re-derive the first law of black hole mechanics in the context of the Einstein-Maxwell theory in a gauge-invariant way introducing “momentum maps” associated to field strengths and the vectors that generate their symmetries. These objects play the role of generalized thermodynamical potentials in the first law and satisfy generalized zeroth laws, as first observed in the context of principal gauge bundles by Prabhu, but they can be generalized to more complex situations. We test our ideas on the d-dimensional Reissner-Nordström-Tangherlini black hole.
Self-duality in the context of the Skyrme model
Authors: Ferreira L.A. , Livramento L.R. 
Published: September 2020

AbstractWe study a recently proposed modification of the Skyrme model that possesses an exact self-dual sector leading to an infinity of exact Skyrmion solutions with arbitrary topological (baryon) charge. The self-dual sector is made possible by the introduction, in addition to the usual three SU(2) Skyrme fields, of six scalar fields assembled in a symmetric and invertible three dimensional matrixh. The action presents quadratic and quartic terms in derivatives of the Skyrme fields, but instead of the group indices being contracted by the SU(2) Killing form, they are contracted with theh-matrix in the quadratic term, and by its inverse on the quartic term. Due to these extra fields the static version of the model, as well as its self-duality equations, are conformally invariant on the three dimensional space ℝ3. We show that the static and self-dual sectors of such a theory are equivalent, and so the only non-self-dual solution must be time dependent. We also show that for any configuration of the Skyrme SU(2) fields, theh-fields adjust themselves to satisfy the self-duality equations, and so the theory has plenty of non-trivial topological solutions. We present explicit exact solutions using a holomorphic rational ansatz, as well as a toroidal ansatz based on the conformal symmetry. We point to possible extensions of the model that break the conformal symmetry as well as the self-dual sector, and that can perhaps lead to interesting physical applications.
Interruption of vascular endothelial growth factor receptor 2 signaling induces a proliferative pulmonary vasculopathy and pulmonary hypertension
Authors: Winter Max-Paul , Sharma Smriti , Altmann Johanna , Seidl Veronika , Panzenböck Adelheid , Alimohammadi Arman , Zelniker Thomas , Redwan Bassam , Nagel Felix , Santer David , Stieglbauer Alexander , Podesser Bruno , Sibilia Maria , Helbich Thomas , Prager Gerald , Ilhan-Mutlu Aysegül , Preusser Matthias , Lang Irene M. 
Published: September 2020

AbstractPulmonary arterial hypertension is a severe and progressive disease characterized by a pulmonary vascular remodeling process with expansion of collateral endothelial cells and total vessel occlusion. Endothelial cells are believed to be at the forefront of the disease process. Vascular endothelial growth factor (VEGF) and its tyrosine kinase receptor, VEGF receptor-2 (VEGFR-2), play a central role in angiogenesis, endothelial cell protection, but also in the destabilization of endothelial barrier function. Therefore, we investigated the consequences of altered VEGF signaling in an experimental model, and looked for translational correlates of this observation in patients. We performed an endothelial cell-specific conditional deletion of the kinase insert domain protein receptor (kdr) gene, coding for VEGFR-2, in C57/BL6 mice (Kdr∆end) and held them in an environmental chamber with 10% FiO2 or under normoxia for 6 weeks. Kdr knockout led to a mild PH phenotype under normoxia that worsened under hypoxia. Kdr∆end mice exhibited a significant increase in pulmonary arterial wall thickness, muscularization, and VEGFR-3+ endothelial cells obliterating the pulmonary artery vessel lumen. We observed the same proliferative vasculopathy in our rodent model as seen in patients receiving anti-angiogenic therapy. Serum VEGF-a levels were elevated both in the experimental model and in humans receiving bevacizumab. Interrupted VEGF signaling leads to a pulmonary proliferative arteriopathy in rodents after direct ablative gene manipulation of Kdr. Histologically, similar vascular lesions can be observed in patients receiving anti-VEGF treatment. Our findings illustrate the importance of VEGF signaling for maintenance of pulmonary vascular patency.
Integrating Diffusion Tensor Imaging and Neurite Orientation Dispersion and Density Imaging to Improve the Predictive Capabilities of CED Models
Authors: Vidotto Marco , Pederzani Matteo , Castellano Antonella , Pieri Valentina , Falini Andrea , Dini Daniele , De Momi Elena 
Published: September 2020

AbstractThis paper aims to develop a comprehensive and subject-specific model to predict the drug reach in Convection-Enhanced Delivery (CED) interventions. To this end, we make use of an advance diffusion imaging technique, namely the Neurite Orientation Dispersion and Density Imaging (NODDI), to incorporate a more precise description of the brain microstructure into predictive computational models. The NODDI dataset is used to obtain a voxel-based quantification of the extracellular space volume fraction that we relate to the white matter (WM) permeability. Since the WM can be considered as a transversally isotropic porous medium, two equations, respectively for permeability parallel and perpendicular to the axons, are derived from a numerical analysis on a simplified geometrical model that reproduces flow through fibre bundles. This is followed by the simulation of the injection of a drug in a WM area of the brain and direct comparison of the outcomes of our results with a state-of-the-art model, which uses conventional diffusion tensor imaging. We demonstrate the relevance of the work by showing the impact of our newly derived permeability tensor on the predicted drug distribution, which differs significantly from the alternative model in terms of distribution shape, concentration profile and infusion linear penetration length.
Concise review of Cladophora spp.: macroalgae of commercial interest
Authors: Michalak Izabela , Messyasz Beata 
Published: September 2020

AbstractThis study includes information about the most common freshwater and marine species from the genusCladophorasuch as classification, taxonomy and morphology, ecology, occurrence and distribution, population and community structure, harvesting and culture conditions, chemical composition, and utilization. Habitat requirements and development optima are different for species belonging to the commonly recorded genusCladophora. The majorityCladophoraspecies are distributed throughout the world, in both the moderate and tropical zones. Of the species noted from Europe, only 15 are characterized for freshwaters, both flowing and standing. In small water bodies, these green algae are very common and occur almost everywhere: in lakes, dam reservoirs, large rivers occur mainly in the coastal littoral zone. A commonly occurring species of macroscopic green algae isCladophora glomerata. Habitat parameters have shown that the distribution pattern of filamentous green algae taxa is determined by two different gradients: (i) depth—temperature, light availability, oxygen concentration; and (ii) trophy—nitrate and orthophosphate concentration. A fast growth rate ofCladophorais very effective under good light condition and high concentration of nutrients. Species of the generaCladophorahave been determined to be early spring or summer organisms. The biomass ofCladophoracan be successfully applied as a raw material for production of value-added products. In this review,Cladophoraspecies are discussed in terms of their chemical composition, as well as potential applications in many areas, for example human and animal health, agriculture (organic fertilizers, biostimulants of plant growth, feed additives), environmental protection (bioindicator of pollution/contamination, sorbent of pollutants from wastewater), renewable source of energy (biogas, bioethanol), and high-tech composite materials.
Machine-learning for automatic prediction of flatness deviation considering the wear of the face mill teeth
Authors: Bustillo Andres , Pimenov Danil Yu. , Mia Mozammel , Kapłonek Wojciech 
Published: September 2020

AbstractThe acceptance of the machined surfaces not only depends on roughness parameters but also in the flatness deviation (Δfl). Hence, before reaching the threshold of flatness deviation caused by the wear of the face mill,
the tool inserts need to be changed to avoid the expected product rejection. As current CNC machines have the facility to track, in real-time, the main drive power, the present study utilizes this facility to predict the flatness deviation—with proper consideration to the amount of wear of cutting tool insert’s edge. The prediction of deviation from flatness is evaluated as a regression and a classification problem, while different machine-learning techniques like Multilayer Perceptrons, Radial Basis Functions Networks, Decision Trees and Random Forest ensembles have been examined. Finally, Random Forest ensembles combined with Synthetic Minority Over-sampling Technique (SMOTE) balancing technique showed the highest performance when the flatness levels are discretized taking into account industrial requirements. The SMOTE balancing technique resulted in a very useful strategy to avoid the strong limitations that small experiment datasets produce in the accuracy of machine-learning models.
Convergence of the SQP method for quasilinear parabolic optimal control problems
Authors: Hoppe Fabian , Neitzel Ira 
Published: September 2020

AbstractBased on the theoretical framework recently proposed by Bonifacius and Neitzel (Math Control Relat Fields 8(1):1–34, 2018. 10.3934/mcrf.2018001) we discuss the sequential quadratic programming (SQP) method for the numerical solution of an optimal control problem governed by a quasilinear parabolic partial differential equation. Following well-known techniques, convergence of the method in appropriate function spaces is proven under some common technical restrictions. Particular attention is payed to how the second order sufficient conditions for the optimal control problem and the resulting $$L^2$$

L
2

-local quadratic growth condition influence the notion of “locality” in the SQP method. Further, a new regularity result for the adjoint state, which is required during the convergence analysis, is proven. Numerical examples illustrate the theoretical results.
Cluster analysis identifies a pathophysiologically distinct subpopulation with increased serum leptin levels and severe obstructive sleep apnea
Authors: Kozu Yutaka , Kurosawa Yusuke , Yamada Shiho , Fukuda Asami , Hikichi Mari , Hiranuma Hisato , Akahoshi Toshiki , Gon Yasuhiro 
Published: September 2020

Abstract
Purpose
To investigate the different pathophysiologies of obstructive sleep apnea (OSA) phenotypes using cluster analysis. Differences between leptin/adiponectin levels in the resulting OSA phenotypes were also examined.

Methods
In total, 1057 OSA patients were selected, and a retrospective survey of clinical records, polysomnography results, and blood gas data was conducted. Patients were grouped into four clusters by their OSA severity, PaCO2, body mass index (BMI), and sleepiness. A k-means cluster analysis was performed, resulting in a division into four subpopulations. The Tukey or Games-Howell tests were used for intergroup comparisons.

Results
Among the 20 clinical OSA items, four common factors (Epworth Sleepiness Scale [ESS], BMI, Apnea-Hypopnea Index [AHI], and PaCO2) were extracted by principal component analysis, and a cluster analysis was performed using the k-means method, resulting in four distinct phenotypes. The Clusters 1 (middle age, symptomatic severe OSA) and 4 (young, obese, symptomatic very severe OSA) exhibited high leptin levels. C-reactive protein levels were also elevated in Cluster 4, indicating a different pathophysiological background. No apparent differences between clusters were observed regarding adiponectin/leptin ratios and adiponectin levels. Classification into groups based on phenotype showed that Epworth Sleepiness Scale [ESS] score and disease severity were not correlated, suggesting that sleepiness is affected by multiple elements.

Conclusions
The existence of multiple clinical phenotypes suggests that different pathophysiological backgrounds exist such as systemic inflammation and metabolic disorder. This classification may be used to determine the efficacy of continuous positive airway pressure treatment that cannot be determined by the AHI.
On predictive entrepreneurial action in uncertain, ill-structured conditions
Authors: Rapp David J. , Olbrich Michael 
Published: September 2020

AbstractDecision-making is at the heart of entrepreneurship. Unsurprisingly, entrepreneurship research has engaged with processes of entrepreneurial decision-making resulting, most importantly, in the notions of causation, effectuation, and enactment. Nevertheless, the range of processes delineated to date remains somewhat incomplete. Drawing on crucial insights from the analysis of decision problem structures reveals that entrepreneurship theory has lacked a process that both recognizes the ill-structuredness typically surrounding entrepreneurial decisions and places prognoses center stage. While effectuation implicitly addresses structural defects but denies prognoses a central role, causation emphasizes the importance of predictions while being associated with well-structured, risky environments, and thus, unaffected by structural defects. Theorizing about a combination thereof, that is, a process recognizing and considering the ill-structuredness of entrepreneurial environments yet building on predictions of the future is overdue. This paper, therefore, seeks to foster a more comprehensive yet nuanced understanding of entrepreneurial decision-making processes by outlining the intrinsic features of one such process that we termexecutionand relating it to existing processes.
State Responses to the Gold Rush in the Andes (2004–2018): The Politics of State Action (and Inaction)
Authors: Baraybar Hidalgo Viviana , Dargent Eduardo 
Published: September 2020

AbstractDespite many similarities, the gold rush that hit the Andean countries in 2004 elicited different state responses in Bolivia, Colombia, and Peru. Initially, there was a lack of enforcement of regulations towards informal mining, but eventually Colombia (2009) and later Peru (2011) enforced regulations with mixed results. Bolivia, on the other hand, has not enforced such regulations. At first, this may appear to be a matter of state capacity; however, a closer look uncovers different motivations behind these state actions (and inaction). We propose that the nature of social actors (or the lack of social actors) who profited from the gold boom, along with international and domestic pressures, are a crucial determinant of these different government responses. We explore this proposal through an analysis of the cases before and during the gold rush using a mix of archival research and interviews with key government actors. These findings allow us to distinguish empirically between forms of state inaction—standoff and forbearance—with distinct political consequences.
The Role of Eating Behaviours in Genetic Susceptibility to Obesity
Authors: Herle Moritz , Smith Andrea D. , Kininmonth Alice , Llewellyn Clare 
Published: September 2020

Abstract
Purpose of Review
Eating behaviours are hypothesised to be the behavioural expression of genetic risk of obesity. In this review, we summarise findings from behavioural genetic research on the association between genetic risk for obesity and validated psychometrics measures of eating behaviours in children and adults (published in the past 10 years).

Recent Findings
Twin studies have produced some evidence for a shared genetic aetiology underlying body mass index and eating behaviours. Studies using measured genetic susceptibility to obesity have suggested that increased genetic liability for obesity is associated with variation in obesogenic eating behaviours such as emotional and uncontrolled eating.

Summary
More research on this topic is needed. Especially longitudinal studies using genetically sensitive designs to investigate the direction of genetic pathways between genetic liability of eating behaviours to weight and vice versa, as well as the potential subsequent link to eating disorders.
Cellbow: a robust customizable cell segmentation program
Authors: Ren Huixia , Zhao Mengdi , Liu Bo , Yao Ruixiao , Liu Qi , Ren Zhipeng , Wu Zirui , Gao Zongmao , Yang Xiaojing , Tang Chao 
Published: September 2020

BackgroundTime‐lapse live cell imaging of a growing cell population is routine in many biological investigations. A major challenge in imaging analysis is accurate segmentation, a process to define the boundaries of cells based on raw image data. Current segmentation methods relying on single boundary features have problems in robustness when dealing with inhomogeneous foci which invariably happens in cell population imaging.MethodsCombined with a multi‐layer training set strategy, we developed a neural‐network‐based algorithm — Cellbow.ResultsCellbow can achieve accurate and robust segmentation of cells in broad and general settings. It can also facilitate long‐term tracking of cell growth and division. To facilitate the application of Cellbow, we provide a website on which one can online test the software, as well as an ImageJ plugin for the user to visualize the performance before software installation.ConclusionCellbow is customizable and generalizable. It is broadly applicable to segmenting fluorescent images of diverse cell types with no further training needed. For bright‐field images, only a small set of sample images of the specific cell type from the user may be needed for training.