bluuebunny/crossref_metadata_2025_split huggingface dataset:
Generalizable strategy to analyze domains in the context of parent protein architecture: A CheW case study
Authors: Vass Luke R. , Branscum Katie M. , Bourret Robert B. , Foster Clay A. 
Published: June 2022

AbstractDomains are the three‐dimensional building blocks of proteins. An individual domain can occur in a variety of domain architectures that perform unique functions and are subject to different evolutionary selective pressures. We describe an approach to evaluate the variability in amino acid sequences of a single domain across architectural contexts. The ability to distinguish different evolutionary outcomes of one protein domain can help determine whether existing knowledge about a specific domain will apply to an uncharacterized protein, lead to insights and hypotheses about function, and guide experimental priorities. We developed and tested our approach on CheW‐like domains (PF01584), which mediate protein/protein interactions and are difficult to compare experimentally. CheW‐like domains occur in CheW scaffolding proteins, CheA kinases, and CheV proteins that regulate bacterial chemotaxis. We analyzed 16 domain architectures that included 94% of all CheW‐like domains found in nature. We identified six Classes of CheW‐like domains with presumed functional differences. CheV and most CheW proteins contained Class 1 domains, whereas some CheW proteins contained Class 6 (~20%) or Class 2 (~1%) domains instead. Most CheA proteins contained Class 3 domains. CheA proteins with multiple Hpt domains contained Class 4 domains. CheA proteins with two CheW‐like domains contained one Class 3 and one Class 5. We also created SimpLogo, an innovative method for visualizing amino acid composition across large sets of multiple sequence alignments of arbitrary length. SimpLogo offers substantial advantages over standard sequence logos for comparison and analysis of related protein sequences. The R package for SimpLogo is freely available.
Multi‐phase multi‐layer mechanistic dermal absorption (MPML MechDermA) model to predict local and systemic exposure of drug products applied on skin
Authors: Patel Nikunjkumar , Clarke James F. , Salem Farzaneh , Abdulla Tariq , Martins Frederico , Arora Sumit , Tsakalozou Eleftheria , Hodgkinson Arran , Arjmandi‐Tash Omid , Cristea Sinziana , Ghosh Priyanka , Alam Khondoker , Raney Sam G. , Jamei Masoud , Polak Sebastian 
Published: June 2022

AbstractPhysiologically‐based pharmacokinetic models combine knowledge about physiology, drug product properties, such as physicochemical parameters, absorption, distribution, metabolism, excretion characteristics, formulation attributes, and trial design or dosing regimen to mechanistically simulate drug pharmacokinetics (PK). The current work describes the development of a multiphase, multilayer mechanistic dermal absorption (MPML MechDermA) model within the Simcyp Simulator capable of simulating uptake and permeation of drugs through human skin following application of drug products to the skin. The model was designed to account for formulation characteristics as well as body site‐ and sex‐ population variability to predict local and systemic bioavailability. The present report outlines the structure and assumptions of the MPML MechDermA model and includes results from simulations comparing absorption at multiple body sites for two compounds, caffeine and benzoic acid, formulated as solutions. Finally, a model of the Feldene (piroxicam) topical gel, 0.5% was developed and assessed for its ability to predict both plasma and local skin concentrations when compared to in vivo PK data.
Evaluation of covariate effects using forest plots and introduction to the coveffectsplot R package
Authors: Marier Jean‐Francois , Teuscher Nathan , Mouksassi Mohamad‐Samer 
Published: June 2022

AbstractThe current tutorial describes why forest plots are needed for an effective communication of covariates effects, how they are constructed, and how they should be presented. Simulation‐based methodologies allowing the user to evaluate the marginal impact of changing one covariate at a time or by considering the joint effects of correlated covariates are introduced along with graphical tools for an optimal assessment of the covariate effects. The R package coveffectsplot and an associated R Shiny application are provided to facilitate the design and construction of forest plots for the visualization of covariate effects. All codes and materials are available on a public Github repository.
Development of the generator inspection vehicle and the inspection equipment
Authors: Ekkachai Kittipong , Leelasawassuk Teesid , Chaopramualkul Wuttikorn , Komin Udom , Kwansud Phanuphan , Bunnun Pished , Komeswarakul Prakob , Tantaworrasilp Apicit , Seekhao Pongsakorn , Nithi‐uthai Sirichai , Pudson Pichet , Vimolmongkolporn Vitvasin , Prakancharoen Satawat , Chaihan Rachan , Sothisansern Piengsak , Surinkon Chainarong , Covanich Wutthiphat , Tungpimolrut Kanokvate 
Published: June 2022

AbstractThis article presents a development of a robot which is used for inspecting electrical generators. Traditionally, to inspect an electrical power generator, its rotor is required to remove first and the inspection task is then performed by human. This process consumes time and cost of operation. Moreover, there are risks to damage generator while removing the rotor as well as accidents during the operation. An alternative approach without removing the rotor by using robot inspection becomes important. Therefore, a small robot called generator inspection vehicle (GIV) has been developed for the purpose of the inspection without removing the rotor. The proposed robot's thickness is 20 mm height that is suited for using in small generators. By this size, small on‐board controllers installed in the GIV robot have been especially designed to reduce connections between the master station (i.e., a laptop and a joystick or controller pad) and the remote side (i.e., the robot). This approach requires only two wires for the connections. A new method for controlling the robot's alignment while operating inside the generator by using fusion signal from camera and inertial measurement unit (IMU) is also proposed. The robot can also carry equipment for specific tasks which are a wedge tightness detector (WTD) and an articulating gripper. Both of the proposed equipment, the WTD and the articulating gripper, are also presented. The proposed robot was tested in small generators, which their rotor diameter ranged from 980 and 1050 mm. Case studies of our design in field tests have also been reported in the article.
Color‐Tunable Fluorescent Hierarchical Nanoassemblies with Concentration‐Encoded Emission
Authors: Kong Jia , Li Wenxin , Zhao Shixuan , Zhang Jiaxing , Yue Tianli , Wang Yuefei , Xia Yinqiang , Li Zhonghong 
Published: June 2022

AbstractCephalopods possess a dynamic coloration behavior to change their iridescence due to the concentration‐induced optical properties of chromatophores and hierarchical assembly of reflectin. However, cephalopods rarely have iridescence in the darkfield. It would be interesting to develop color‐tunable fluorescent hierarchical nanoassemblies with concentration‐encoded emission. Herein, to construct the bioavailable fluorophore with dynamic coloration properties, a histidine‐rich peptide is designed, which can self‐assemble into hierarchical nanoassemblies stabilized by hydrogen bonds and π–π stacking interactions. The peptidyl nanoassemblies emit fluorescent iridescence, encompassing the blue to orange region due to the assembly‐induced emission. The fluorescence of histidine‐rich peptides is color‐tunable and reversible, which can be dynamically controlled in a concentration‐encoded mode. Due to the coloration ability of histidine‐rich peptides, fluorescent polychromatic human cells are developed, highlighting its potential role as a fluorescent candidate for future applications such as bioimaging, implantable light‐emitting diodes, and photochromic camouflage.
Block Length‐Dependent Protein Fouling on Poly(2‐oxazoline)‐Based Polymersomes: Influence on Macrophage Association and Circulation Behavior
Authors: Najer Adrian , Belessiotis‐Richards Alexis , Kim Hyemin , Saunders Catherine , Fenaroli Federico , Adrianus Christopher , Che Junyi , Tonkin Renée L. , Høgset Håkon , Lörcher Samuel , Penna Matthew , Higgins Stuart G. , Meier Wolfgang , Yarovsky Irene , Stevens Molly M. 
Published: June 2022

AbstractPolymersomes are vesicular structures self‐assembled from amphiphilic block copolymers and are considered an alternative to liposomes for applications in drug delivery, immunotherapy, biosensing, and as nanoreactors and artificial organelles. However, the limited availability of systematic stability, protein fouling (protein corona formation), and blood circulation studies hampers their clinical translation. Poly(2‐oxazoline)s (POx) are valuable antifouling hydrophilic polymers that can replace the current gold‐standard, poly(ethylene glycol) (PEG), yet investigations of POx functionality on nanoparticles are relatively sparse. Herein, a systematic study is reported of the structural, dynamic and antifouling properties of polymersomes made of poly(2‐methyl‐2‐oxazoline)‐block‐poly(dimethylsiloxane)‐block‐poly(2‐methyl‐2‐oxazoline) (PMOXA‐b‐PDMS‐b‐PMOXA). The study relates in vitro antifouling performance of the polymersomes to atomistic molecular dynamics simulations of polymersome membrane hydration behavior. These observations support the experimentally demonstrated benefit of maximizing the length of PMOXA (degree of polymerization (DP) > 6) while keeping PDMS at a minimal length that still provides sufficient membrane stability (DP > 19). In vitro macrophage association and in vivo blood circulation evaluation of polymersomes in zebrafish embryos corroborate these findings. They further suggest that single copolymer presentation on polymersomes is outperformed by blends of varied copolymer lengths. This study helps to rationalize design rules for stable and low‐fouling polymersomes for future medical applications.
Social trust and patterns of growth
Authors: Bjørnskov Christian 
Published: June 2022

AbstractThe association between social trust and long‐run economic growth is well documented. However, which determinants of growth are affected by social trust remains an open question. This paper therefore explores to which extent social trust affects the rate of factor accumulation versus productivity improvements. Previous studies indicate that social trust could affect both the accumulation of physical and human capital and the rate of productivity increases. Existing literature also indicates that part of the growth effects may be due to how trust affects the quality of formal institutions. The effects of trust are estimated in a panel of 64 countries observed in 5‐year periods between 1977 and 2017, using growth accounting to separate patterns of growth. The results unequivocally show that social trust predominantly affects long‐run growth by affecting the growth of productivity and that only a small share of that effect runs through the effects of trust on formal institutions.
Android malware detection using network traffic based on sequential deep learning models
Authors: Fallah Somayyeh , Bidgoly Amir Jalaly 
Published: June 2022

AbstractThe increasing trend of smartphone capabilities has caught the attention of many users. This has led to the emergence of malware that threatening the users' privacy and security. Many malware detection methods have been proposed to deal with emerging threats. One of the most effective ones is to use network traffic analysis. This article proposed a method based on LSTM (Long Short‐term Memory) for malware detection which is capable of not only distinguishing malware and benign samples, but also detecting and identify the new and unseen families of malware. As far as we know, this is the first time that traffic data has been modeled as a sequence of flows and a sequential based deep learning model is employed. In this article, we have performed several case studies to exhibit the capabilities of the proposed method including malware detection, malware family identification, new (not seen before) malware family detection, as well as evaluating the minimum time required to detect malware. The case studies show that the model is even capable of detecting new families of malware with more than 90% accuracy, although these results can only be verified on existing families in this dataset and such a claim cannot be generalized to other examples of malware. Moreover, it is shown the model is able to detect the malware through capturing 50 connection flows (about 1600 packets in average) with the AUC of more than 99.9%.
Mangrove forests under climate change in a 2°C world
Authors: Friess Daniel A. , Adame Maria Fernanda , Adams Janine B. , Lovelock Catherine E. 
Published: June 2022

AbstractThe world's nations are committed to keeping global temperature rises to less than 2°C to avoid the worst impacts of climate change. Such a target is crucial for mangrove forests, because they are located primarily in tropical and subtropical regions that are expected to see large changes in climatic conditions; their intertidal location and sensitivity to changes in environmental conditions means that mangroves are expected to be on the front line of climate change impacts. We conceptualize what a 2°C world might look like for mangroves, and in particular the potential negative and positive responses of the mangrove ecosystem to anticipated changes in future atmospheric CO2 concentrations, temperature, sea level, cyclone activity, storminess and changes in the frequency, and magnitude of climatic oscillations. We also assess the spatial distribution of such stressors, their relative contributions to mangrove ecosystem dynamics, and discuss the challenges in attributing mangrove ecosystem dynamics to climate change versus other global change stressors. Such knowledge can help future‐proof conservation and restoration activities, improve the Intergovernmental Panel on Climate Change's confidence level ascribed to climate change impacts on mangrove forests, and highlight the key temperature thresholds beyond which the future of the world's mangroves is less certain.This article is categorized under:
Climate, Ecology, and Conservation > Modeling Species and Community Interactions
Climate, Ecology, and Conservation > Observed Ecological Changes
Limitations of reanalysis data for wind power applications
Authors: Davidson Michael R. , Millstein Dev 
Published: June 2022

AbstractWind energy resource estimates commonly depend on simulated wind speed profiles generated by reanalysis or weather models due to the lack of long time series measurements with sufficient coverage at relevant heights (roughly 90 m above ground). However, modeled data, including reanalyses, can be noisy and display a wide range of biases and errors, variously attributed to terrain effects, poor coverage of assimilated inputs, and model resolution. Wind generation records, if available at high temporal and geographical resolution, can provide a proxy for wind measurements and allow for evaluation of reanalyses and weather model wind time series. We use a 7‐year‐long data set of hourly, plant‐level generation records from over 100 wind plants across Texas to evaluate two commonly used reanalysis data sets (MERRA2 and ERA5). Additionally, we use 1‐year of records (2019) to evaluate an operational, high‐resolution regional weather modeling product (HRRR v3). We find that across the region, and across all modeling products, the modeled representation of wind generation (i.e., wind speeds at hub heights passed through a power curve) has relatively small mean errors when aggregated daily, but that accuracy and hourly correlation have a strong diurnal sensitivity. Accuracy and correlation systematically decline through the evening and markedly improve after sunrise. These diurnal patterns persist even in the highest resolution model tested (HRRR v3). We hypothesize the nighttime decline in accuracy is mostly due to poorly represented boundary layer conditions, perhaps related to model representation of stability, while other uncertainties (such as wake effects) play a secondary role.
La3NSe3 and La3PSe3: Two Isostoichiometric, but not Isostructural Lanthanum‐Selenide Derivatives
Authors: Djendjur Patrik , Tutsch Philipp Raphael , Schleid Thomas 
Published: June 2022

AbstractThe two non‐isostructural lanthanum pnictogenide selenides La3NSe3 and La3PSe3 are formed by oxidizing lanthanum metal with sodium azide (NaN3) in the presence of selenium and an excess of iodine for eight days at 850 °C and by reacting the two binary compounds lanthanum sesquiselenide (La2Se3) and lanthanum monophosphide (LaP) for four days at 900 °C in torch‐sealed glassy silica ampoules. La3NSe3 crystallizes with the well‐known Sm3NS3‐type structure in the orthorhombic space group Pnma with the lattice parameters a=1278.56(8) pm, b=424.18(3) pm, c=1358.73(9) pm, while La3PSe3 adopts the cubic Th3P4‐type structure in the space group
with the lattice parameter a=901.42(6) pm, both for Z=4. It features one crystallographically distinct cationic La3+ site and a mixed anionic site with both P3− and Se2− anions sharing the same crystallographic position in its crystal structure. In contrast, the crystal structure of La3NSe3 is comprised of three different La3+ cations with one N3− and three distinct Se2− anions. The key structural elements are N3− centered (La3+)4 tetrahedra connected via vertices to form one‐dimensionally infinite chains
(t=terminal, v=vertex‐sharing). The comparatively large La3+ cation adopts coordination numbers of six (1×) and seven (2×) in La3NSe3, whereas in La3PSe3, the coordination number of the single cation site is eight.
Dynamic analysis to the fractional order thermoelastic problem of porous structure
Authors: Liu Peng , He Tianhu 
Published: June 2022

AbstractPorous materials have been extensively applied in many areas such as aerospace, electronic communication, petrochemical, bio‐medicine, and so forth, especially, under some extreme heating conditions, study on the coupling problem of deformation field and temperature field in porous media is of great significance to the application and optimal design of the material. On account of this, in the present paper, according to the Lord and Shulman's generalized thermoelastic theory and Ezzat's fractional order theory, the dynamic response of an infinite porous thermoelastic material with a spherical cavity and subjected to a ramp‐type heating is studied. The governing equations of the corresponding problem are formulated and then solved by means of Laplace transform and its numerical inversion. The distributions of the nondimensional temperature, displacement, stress, and volume fraction in the porous structure are obtained and illustrated graphically. In simulation, the effects of the time, the thermal lag factor, and the fractional‐order factor on all the considered variables are examined and discussed in detail.
Zeitstrukturen des Alterns: Altershandeln zwischen alltäglichem Zeitreichtum und biographischer Zeitarmut
Authors: Lessenich Stephan 
Published: June 2022

ZusammenfassungIm Zentrum des Forschungsinteresses der qualitativen Teilstudie von Altern als Zukunft stand das Zeithandeln älterer Menschen als spezifische Dimension des Altershandelns. Ausgangspunkt unserer Untersuchungen war die Frage, in welchem Zusammenhang alltäglicher Zeitreichtum und biographische Zeitarmut im Alter stehen, oder genauer: Ob ältere, nicht mehr erwerbstätige Menschen ein Spannungsverhältnis zwischen zunehmender ‚freier‘ Zeit im Alltag und abnehmender Restlebenszeit wahrnehmen und wie sie gegebenenfalls mit dieser Spannung umgehen, welche Zeitgestaltungspraktiken sie also im höheren und höchsten Alter an den Tag legen.
Building blocks of Cwebs in multiparton scattering amplitudes
Authors: Agarwal Neelima , Pal Sourav , Srivastav Aditya , Tripathi Anurag 
Published: June 2022

Abstract
The correlators of Wilson-line operators in non-abelian gauge theories are known to exponentiate, and their logarithms can be organised in terms of the collections of Feynman diagrams called Cwebs. The colour factors that appear in the logarithm correspond to completely connected diagrams and are determined by the web mixing matrices. In this article we introduce several new concepts: (a) Normal ordering of the diagrams of a Cweb, (b) Fused-Webs (c) Basis and Family of Cwebs. We use these ideas together with a Uniqueness theorem that we prove to arrive at an understanding of the diagonal blocks, and several null matrices that appear in the mixing matrices. We demonstrate using our formalism that, once the basis Cwebs present upto order $$ {\alpha}_s^n $$

α
s
n

are determined, the number of exponentiated colour factors for several classes of Cwebs starting at order $$ {\alpha}_s^{n+1} $$

α
s

n
+
1

can be predicted. We further provide complete results for the mixing matrices, to all orders in perturbation theory, for two special classes of Cwebs using our framework.
The influence of schooling on performance in chess and at the Olympics
Authors: Forrest David , Tena J. D. , Varela-Quintana Carlos 
Published: June 2022

AbstractAt the macro-level, it is hard to test the hypothesis that increased schooling in a country will raise labour productivity but sectoral analyses may be tractable. In sports, output is homogenous in that countries’ achievements are measurable in the same way. We examine country performances at the Chess Olympiad and the Olympic Games, contrasting tournaments where players in the first use only their minds but most in the second supply substantial physical effort or work with costly physical capital. Modelling success in either leads to a set of results familiar from sports literature: country performance depends on economic resources, represented by population size and per capita income. Supplementary variables capture over-performance by communist/ former communist countries. We then introduce a measure of average years of schooling. This significantly reduces the role of income, especially in chess. It also takes power away from the ‘communist’ variables, especially at the Olympics. These results suggest that much of any effect from income is mediated through schooling: investment in education is associated with elevated productivity. Increased productivity is observed in both settings, one a knowledge-intensive sub-sector and the other dependent to a significant extent on either raw physical strength or expensive capital input.
Robust Portfolio Optimization with Respect to Spectral Risk Measures Under Correlation Uncertainty
Authors: Tsang Man Yiu , Sit Tony , Wong Hoi Ying 
Published: June 2022

AbstractThis paper proposes a distributionally robust multi-period portfolio model with ambiguity on asset correlations with fixed individual asset return mean and variance. The correlation matrix bounds can be quantified via corresponding confidence intervals based on historical data. We employ a general class of coherent risk measures namely the spectral risk measure, which includes the popular measure conditional value-at-risk (CVaR) as a particular case, as our objective function. Specific choices of spectral risk measure permit flexibility for capturing risk preferences of different investors. A semi-analytical solution is derived for our model. The prominent stochastic dual dynamic programming (SDDP) algorithm adapted with intricate modifications is developed as a numerical method under the discrete distribution setting. In particular, our new formulation accounts for the unknown worst-case distribution in each iteration. We verify the convergence property of this algorithm under the setting of finite scenarios. Our results show that the optimal solution favours a certain degree of anti-diversification due to dependence ambiguity and exhibits its protection ability during the financial crisis period.