bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxidation behavior of near nanostructured coating developed by the HVOF process
Authors: Rengarajan Shankar , Ramaraj Balasubramanian Karuppudayar , Paramashivan Sivapirakasam Suthangathan , Velusamy Senthilkumar
Published: October 2022

Microstructured and near nanostructured Cr3C2–Ni–Cr–B–Si coatings were deposited on Inconel 718 superalloy by high‐velocity oxygen fuel thermal spray technique. The oxidation behavior of microstructured and near nanostructured Cr3C2–Ni–Cr–B–Si coated superalloy at 900°C in air for 50 cycles under cyclic heating and cooling conditions was studied. The kinetics of oxidation of both nanostructured and microstructured coated superalloy was analyzed by weight change measurement. It was noticed that the uncoated and coated alloy obey the parabolic rate law of oxidation. X‐ray diffraction, field‐emission scanning electron microscopy/energy dispersive x‐ray analysis, and elemental mapping techniques were used to analyze the oxidized samples of coated and uncoated samples. In the coated superalloy, iron, silicon, and titanium were oxidized in the inter‐splat region, whereas the splats which consist mainly of Ni and Cr remain unoxidized. Because of the formation of compact and adhesive thin NiO and Cr2O3 scale on the surface of the coating during oxidation, the developed nanostructured coated superalloy shows better oxidation resistance than the microstructured one.
Thickness Effects of Surface Direct Fluorination and Plasma Modification on Ultra‐High Molecular Weight Polyethylene Ultrathin Membranes
Authors: Yang Kailin , Xu Zhao , Li Runlai , Liu Yang , Sun Weilong , Tang Yong , Liu Xiangyang , Fu Qiang
Published: October 2022

For the first time, an ultrathin type of ultra‐high molecular weight polyethylene (UHMWPE) membrane of only 350 nm thickness is surface modified by direct fluorination and plasma treatments. Then a notable suppression in crystallinity is observed. A total of four kinds of thickness, from 350 nm to 6 µm, are investigated to correlate the modification effect on the thickness. Microscopically, the continuous shish‐kebab structure transforms into scattered lamellae clusters. And the damage to the surface morphologies increases as the thickness decreases, yet the resultant contact angles remain almost constant. Especially for the 350 nm thin UHMWPE, the mildest fluorination treatment slightly changes the contact angle, while the multiscale structure changes significantly from crystalline to mesoscopic level. As thickness decreases from 6 µm to 350 nm, the modified volume ratio of membranes increases, and the volumetric modification is almost realized for the 350 nm membrane.
Nonlinear dynamics of modulated waves on graphene like quantum graphs
Authors: Gilg Steffen , Schneider Guido , Uecker Hannes
Published: October 2022

We consider cubic Klein–Gordon equations on infinite two‐dimensional periodic metric graphs having for instance the form of graphene. At non‐Dirac points of the spectrum, with a multiple scaling expansion Nonlinear Schrödinger (NLS) equations can be derived in order to describe slow modulations in time and space of traveling wave packets. Here we justify this reduction by proving error estimates between solutions of the cubic Klein–Gordon equations and the associated NLS approximations. Moreover, we discuss the validity of the modulation equations appearing by the same procedure at the Dirac points of the spectrum.
Social isolation and social anxiety as drivers of generation Z's willingness to share personal information on social media
Authors: Lyngdoh Teidorlang , El‐Manstrly Dahlia , Jeesha Krishnan
Published: October 2022

Generation Z's (gen z) sharing of personal information on social media is a growing phenomenon with significant ramifications. Existing research, however, focuses on examining the role of social and/or psychological factors and fails to consider how and when social, psychological, and organizational factors affect gen z's willingness to share personal information on social media. To fill this gap, we propose a conceptual model based on the tenets of sociometer theory, to understand the dynamics of gen z's willingness to share personal information while considering its process and boundary conditions. Using a sequential multi‐study design, we conducted an experiment followed by a survey to test our hypotheses using data collected from gen z in India. Our findings show that when gen z feels socially isolated/anxious, they are more likely to share personal information on social media. The effect of social isolation on sharing of personal information increases when gen z fear that they are missing out on the rewarding experiences others are having, are engaged in repetitive negative thoughts and perceive their firm's privacy policy as transparent and ethical. Our findings provide a better understanding of why, how, and when gen z's are willing to share personal information on social media. We extend existing limited research on the psychological aspects of digital natives' interaction with modern technologies. Our results equip social media marketing and brand managers with the knowledge they need to increase gen z's willingness to share personal information.
Chemical Behavior of Water Absorption in a Carbon/Epoxy 3D Woven Composite
Authors: Gillet Camille , Nassiet Valérie , Poncin‐Epaillard Fabienne , Hassoune‐Rhabbour Bouchra , Tchalla Tatiana
Published: October 2022

In this paper, moisture absorption of carbon/epoxy‐amine 3D woven composite materials is studied by immersion in distilled water at 70°C. If the moisture uptake measured by gravimetry is slow and weak over time, various antagonistic phenomena appear. Desorption highlights mass losses due to chemical changes in the material that mask the true water content of the aged samples. The X‐ray photoelectron spectrometry (XPS) reveals a decrease in the carbon and nitrogen proportions and an increase in the oxygen proportions after ageing, allowing to observe surface erosion and oxidation of the matrix. Finally, the rise of silicon is a sign of extraction of the silica‐based particles exuded to the surface. This presence is confirmed by Fourier transform infrared spectroscopy (FTIR).
Novel Biobased Polyester Resins for Wood Applications: Morphological, Thermal, and Chemical Characterization
Authors: Malletzidou Lamprini , Papadopoulou Electra , Papadopoulos Lazaros , Markessini Charles , Bikiaris Dimitrios N. , Chrissafis Konstantinos , Vourlias George
Published: October 2022

The present study focuses on the interaction of recently synthesized unsaturated polyester resins (UPRs) with wood. The UPRs are prepared from succinic acid, maleic anhydrite, and ethylene glycol or poly(ethylene glycol) as biobased monomers and crosslinked with acrylic acid. In this framework, small 3‐ply composite specimens (0.1 × 2.5 × 10 cm) of wood veneers are prepared with such binders to investigate their interaction with wood. The produced experimental specimens are studied with Fourier transform infrared spectroscopy, thermogravimetry, and scanning electron microscopy to explore their morphological and thermal degradation characteristics, as well any chemical changes from the interaction of the UPRs with wood. The experimental results indicate no chemical changes from their interaction with wood.
Thermo‐Electric Properties of Poly(lactic) Acid Filled with Carbon‐Based Particles: Experimental and Simulation Study
Authors: Spinelli Giovanni , Guarini Rosella , Kotsilkova Rumiana , Ivanov Evgeni , Menseidov Dzhihan , Romano Vittorio
Published: October 2022

Polymer composites filled with high thermal and electrical conductivity nanofillers show enhanced thermo‐electric properties which encourage their use in heat transfer applications. In the present study, nanocomposites based on polylactic acid (PLA) containing up to 9 wt% of multi‐walled carbon nanotubes (trade name: N7000) and graphene nanoplates (trade name: TNIGNP) are produced via melt compounding and then morphologically, electrically, and thermally investigated. The results are correlated to the different characteristic of the fillers and their interaction with the PLA. At the highest investigated filler concentration, an electrical conductivity of about 2 S m–1and a thermal conductivity of 0.725 W m–1 K–1are measured respectively for nanocomposites based on N7000 and TNIGNP, which are decisively higher than the values measured for unfilled PLA (5.9 ×∙10–2 S m–1and 0.205 W m–1 K–1). Moreover, multiphysics simulations are performed on the best performing nanocomposites for evaluating their thermo‐electric properties when an electrical heating or a direct heat flux are applied.
From Hidden Shear‐Elasticity to Opto‐ and Thermo‐Elastic Properties in Confined Polymer Melts and Viscous Liquids
Authors: Noirez Laurence , Kume Eni , Baroni Patrick
Published: October 2022

The newly identified low frequency elasticity of mesoscopic liquids opens the route to the identification of novel dynamic liquid properties. Two experimental examples illustrating the impact of the liquid elasticity in optics and thermodynamics are presented. It is revealed that at mesoscopic scale, liquids are able to convert the mechanical energy in optical and thermal effects. The fluids are submitted to a low frequency (∼Hz) mechanical shear strain (external stress), thus excluding a coupling with molecular time scales. The dynamic response is probed using two in situ methods accessing in real time optical response of the isotropic phase of liquid crystals and probing the thermal response upon shear deformation. In both cases, a dynamic response is identified: the isotropic phase of liquid crystals exhibits a low frequency dynamic birefringence while ordinary liquids exhibit cold and hot thermal waves synchronous to the low frequency excitation.
A transformer neural network for predicting near‐surface temperature
Authors: Alerskans Emy , Nyborg Joachim , Birk Morten , Kaas Eigil
Published: October 2022

A new method based on the Transformer model is proposed for post‐processing of numerical weather prediction (NWP) forecasts of 2 m air temperature. The Transformer is a machine learning (ML) model based on self‐attention, which extracts information about which inputs are most important for the prediction. It is trained using time series input from NWP variables and crowd‐sourced 2 m air temperature observations from more than 1000 private weather stations (PWSs). The performance of the new post‐processing model is evaluated using both observational data from PWSs and completely independent observations from the Danish Meteorological Institute (DMI) network of surface synoptic observations (SYNOP) stations. The performance of the Transformer model is compared against the raw NWP forecast, as well as against two benchmark post‐processing models; a linear regression (LR) model and a neural network (NN). The results evaluated using PWS observations show an improvement in the 2 m temperature forecasts with respect to both bias and standard deviation (STD) for all three post‐processing models, with the Transformer model showing the largest improvement. The raw NWP forecast, LR, NN and Transformer model have a bias and STD of 0.34 and 1.96°C, 0.03 and 1.63°C, 0.10 and 1.53°C and 0.02 and 1.13°C, respectively. The corresponding results using DMI SYNOP stations also show improved forecasts, where the Transformer model performs better than both the raw NWP forecast and the two benchmark models. However, a dependence on distance to the coast and cold temperatures is observed.
Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina
Authors: Agarwal Rupesh , Smith Jeremy C.
Published: October 2022

Structure‐based virtual high‐throughput screening involves docking chemical libraries to targets of interest. A parameter pertinent to the accuracy of the resulting pose is the root mean square deviation (RMSD) from a known crystallographic structure, i. e., the ‘docking power’. Here, using a popular algorithm, Autodock Vina, as a model program, we evaluate the effects of varying two common docking parameters: the box size (the size of docking search space) and the exhaustiveness of the global search (the number of independent runs starting from random ligand conformations) on the RMSD from the PDBbind v2017 refined dataset of experimental protein‐ligand complexes. Although it is clear that exhaustiveness is an important parameter, there is wide variation in the values used, with variation between 1 and >100. We, therefore, evaluated a combination of cubic boxes of different sizes and five exhaustiveness values (1, 8, 25, 50, 75, 100) within the range of those commonly adopted. The results show that the default exhaustiveness value of 8 performs well overall for most box sizes. In contrast, for all box sizes, but particularly for large boxes, an exhaustiveness value of 1 led to significantly higher median RMSD (mRMSD) values. The docking power was slightly improved with an exhaustiveness of 25, but the mRMSD changes little with values higher than 25. Therefore, although low exhaustiveness is computationally faster, the results are more likely to be far from reality, and, conversely, values >25 led to little improvement at the expense of computational resources. Overall, we recommend users to use at least the default exhaustiveness value of 8 for virtual screening calculations.
Hydrocortisone‐Containing Animal‐Derived Food Intake Affects Lipid Nutrients Utilization
Authors: Jia Wei , Wu Xixuan , Shi Lin
Published: October 2022

Scope

As the tremendous increases in consumption of animal‐derived food, endogenous hydrocortisone migrating along the food chain to organism arouses extensive attention. This study aims to investigate the cumulative impacts of dietary hydrocortisone intake and mechanistic understanding on metabolism of lipid nutrients.

Methods and results

A total of 120 porcine muscles samples with different concentrations of hydrocortisone are collected at three time points. An operational food chain simulation framework is constructed and 175 lipid molecules are identified by UHPLC‐Q‐Orbitrap HRMS. Compared to the control group, 66 lipid molecules are significantly different, including 17 triglycerides and 31 glycerophospholipids. Integrated analyses of lipidomics and proteomics indicate that hydrocortisone promotes adipose triglyceride lipase and hormone sensitive lipase activity to precondition for triglycerides hydrolysis. Quantitative lipidomics analysis shows the presence of hydrocortisone decreases the concentration of docosahexaenoic acid (3.66 ± 0.15–3.09 ± 0.12 mg kg−1) and eicosapentanoic acid (0.54 ± 0.09–0.48 ± 0.06 mg kg−1). A noteworthy increase of most saturated triglycerides concentration with the prolonging of time is observed.

Conclusions

Hydrocortisone originating from animal‐derived food induces glycerophospholipids degradation and triglycerides hydrolysis through promoting adipose triglyceride lipase, hormone sensitive lipase, and phosphoglycerate kinase activity and further intervenes lipid nutrients utilization.
Design of an all hollow fiber‐coupled middle infrared laser heterodyne radiometer (LHR)
Authors: Shen Fengjiao , Hu Xueyou , Lu Jun , Xue Zhengyue , Tan Tu , Gao Xiaoming , Chen Weidong
Published: October 2022

An integrated optics method, using hollow fibers which easily ensures optimal beam alignment of the local oscillator (LO) and incoherent solar radiation and promotes high photomixing efficiency, is proposed for a compact, rugged, and high‐efficiency all hollow fiber‐coupled photomixing assembly in the mid‐infrared (IR). The method is adopted for the design of an all‐hollow fiber‐coupled mid‐IR laser heterodyne radiometer (LHR) using an 8 µm external‐cavity quantum cascade laser as LO. Coupling efficiency, attenuation coefficients, total‐loss transmission, and output beam divergence of the HE11 mode in hollow fibers for the all hollow fiber‐coupled mid‐IR LHR are discussed in detail and are shown to highly depend on the launch conditions. Meanwhile, the selection of input and output coupling lenses that are associated with the hollow fibers is also studied for achieving the theoretical loss of the HE1m mode in hollow fibers and high heterodyne performance. It shows that using a hollow fiber for photomixing supersedes conventional spatially separated optics.
Heterogeneous Overhauser‐DNP on 1H dominated by scalar coupling in aqueous solution
Authors: Milani Jonas , Saenz Felipe , Roussel Christophe , Ansermet Jean‐Philippe
Published: October 2022

The Overhauser Dynamic Nuclear Polarization (O‐DNP) of 1H nuclei usually involves a dipolar coupling with the polarizing agent, whereas scalar coupling via hyperfine interactions are more common with 13C nuclei. Here, we show a scalar‐coupling dominated 1H O‐DNP, using polyaniline as a heterogeneous polarizing agent in an aqueous solution.
Magnetic resonance imaging reconstruction using a deep energy‐based model
Authors: Guan Yu , Tu Zongjiang , Wang Shanshan , Wang Yuhao , Liu Qiegen , Liang Dong
Published: October 2022

Although recent deep energy‐based generative models (EBMs) have shown encouraging results in many image‐generation tasks, how to take advantage of self‐adversarial cogitation in deep EBMs to boost the performance of magnetic resonance imaging (MRI) reconstruction is still desired. With the successful application of deep learning in a wide range of MRI reconstructions, a line of emerging research involves formulating an optimization‐based reconstruction method in the space of a generative model. Leveraging this, a novel regularization strategy is introduced in this article that takes advantage of self‐adversarial cogitation of the deep energy‐based model. More precisely, we advocate alternating learning by a more powerful energy‐based model with maximum likelihood estimation to obtain the deep energy‐based information, represented as a prior image. Simultaneously, implicit inference with Langevin dynamics is a unique property of reconstruction. In contrast to other generative models for reconstruction, the proposed method utilizes deep energy‐based information as the image prior in reconstruction to improve the quality of image. Experimental results imply the proposed technique can obtain remarkable performance in terms of high reconstruction accuracy that is competitive with state‐of‐the‐art methods, and which does not suffer from mode collapse. Algorithmically, an iterative approach is presented to strengthen EBM training with the gradient of energy network. The robustness and reproducibility of the algorithm were also experimentally validated. More importantly, the proposed reconstruction framework can be generalized for most MRI reconstruction scenarios.
Mining LinkedIn for story and outcomes‐based content ideas
Authors: Talarico Donna
Published: October 2022

I was recently working on a freelance web content project involving writing new content for academic program pages. Outcomes are a highly important aspect of these pages: the information that answers “What can I do after graduation?”
Revisiting the superaromatic stabilization energy as a local aromaticity index for excited states
Authors: Jorner Kjell
Published: October 2022

The graph theory of aromaticity is a useful framework for analyzing the aromatic properties of polycyclic aromatic hydrocarbons. We present here the magnetically based superaromatic stabilization energy (m‐SSE) as a local aromaticity index and validate it against its topologically based counterpart t‐SSE. By comparing to DFT‐computed aromaticity indices of triplet state excited polybenzenoid hydrocarbons, we find that semi‐quantitative agreement can be reached by using the variable
method to account for bond‐length alternation. The m‐SSE can further be separated into orbital and circuit contributions to gain insight into the basis of the aromatic properties of individual rings. Fully automated algorithms for calculating both m‐SSE and t‐SSE are now available in the COULSON package. We envision that these graph theoretical aromaticity indices will be of great use to the community to analyze the local aromaticity of excited states.
Evaluation of control for the management of four pest species (Rhagoletis cerasi L., Ceratitis capitata Wied. (Diptera: Tephritidae), Drosophila suzukii (Matsumura) and Zaprionus indianus (Gupta) (Diptera: Drosophilidae)) in organic cherry‐growing area
Authors: Özbek Çatal Burcu , Çalişkan Keçe Asime Filiz , Amangeldİ Zhanerke , Ulusoy Mehmet Rifat
Published: October 2022

BACKGROUND

In recent years, the fruit flies Rhagoletis cerasi L., Ceratitis capitata Wied. (Diptera: Tephritidae), Drosophila suzukii (Matsumura) and Zaprionus indianus (Gupta) (Diptera: Drosophilidae) (Tephritidae and Drosophilidae) have become an increasingly serious problem for cherry production in Turkey, which ranks first among cherry‐producing countries. Intensive chemical control of these pests is used and little information about alternative methods of control is available for these pests, especially in organic farming. The purpose of our study was to determine a new, cost‐efficient and more ecofriendly method of pest control. The study was carried out during 2019–2020 at two different locations in Turkey: Adana‐Pozantı (Alpu, 1070 m, and Belemedik, 700 m).

RESULTS

This study investigated the effectiveness against fruit flies of netting covering trees, a mass capture technique and an insecticide suitable for use in organic agriculture (spinosad). A comparative insecticide (thiacloprid) was also applied. The methods performed quite differently from the control and were shown to be particularly effective against R. cerasi and D. suzukii. The most effective control method against the four pest species was the application of netting (100% effect). The other methods of control included in the experiment may also be useful in organic cherry cultivation.

CONCLUSION

The methods presented here meet the requirements for conventional and organic production. Application of netting in particular can form the basis of organic production requirements for the management of fruit flies. It has been observed that fruits ripen a little later, and fruit monilia and aphid damage are less in trees protected by netting. This is a commercial advantage, especially for late maturing varieties, and additional studies are needed for these varieties. © 2022 Society of Chemical Industry.
Magnetic and Spin‐Polarized Optical Properties of Co and Mn Adsorbed γ‐GeSe
Authors: Yang Hong , Cheng Xuan-Ren , Hu Qi-Hong , Huang Yong-Gang , Wang Xiao-Yun , Kong Peng , Deng Ke
Published: October 2022

The structural, electronic, magnetic, and optical properties of Co‐ and Mn‐adsorbed γ‐GeSe have been studied comprehensively via first‐principles density functional calculations. It is found that the most stable adsorption configuration is that Co and Mn are on the top of the hexagonal hollow in the second Ge layer. After Co and Mn adsorption, γ‐GeSe becomes magnetic with 1 μB and 3 μB magnetic moment, which mainly comes from mainly the Co(Mn)‐d, Ge‐s, Ge‐p, and Se‐p states. In particular, the optical absorption in the low‐energy range is greatly enhanced by Co and Mn adsorption and results in interesting spin‐dependent absorption in low‐energy region due to the strong electron transition at the spin‐down channel, which makes them attractive candidates for spin‐optoelectronic devices.
The effect of grape products on liver enzymes: A systematic review and meta‐analysis of randomized controlled trials
Authors: Zamani Mohammad , Ashtary‐Larky Damoon , Hafizi Nadia , Naeini Fatemeh , Rezaei Kelishadi Mahnaz , Clark Cain C. T. , Davoodi Sayed Hosein , Asbaghi Omid
Published: October 2022

The favorable influence of grape consumption on metabolic diseases has previously been shown in studies. We sought to assess the effects of grape intake on liver enzymes, including alanine aminotransferase (ALT), aspartate aminotransferase (AST), and alkaline phosphatase (ALP), in adults. We performed literature search in online databases, to find eligible randomized controlled trials (RCTs). we considered RCTs that met the following criteria: RCTs consisted of use of grape products on ALT, AST, and ALP in adults (≥18 years) with at least 2 weeks intervention duration. Pooling data from 11 trials showed that grape products intake significantly reduced ALP (p = .010), without any significant changes in ALT (p = .234) and AST (p = .300). In subgroup analysis, we found a significant reduction in ALP, ALT, and AST when the duration of intervention was ≥12 weeks, and when grape seed extract (GSE) was administered. The variable duration and dosage of intervention was one of the sources of bias in our meta‐analysis. Additionally, participants involved in included studies had different physiological status and various age groups. Grape products administration may significantly improve ALT, AST, and ALP in adults in long‐term interventions and/or when GSE is administered. It should be noted that the favorable effects of grape consumption were small and may not reach clinical importance.
Simultaneous hysteresis‐dynamics compensation in high‐speed, large‐range trajectory tracking: A data‐driven iterative control
Authors: Wang Zhihua , Zou Qingze
Published: October 2022

In this article, a data‐driven difference‐inversion‐based iterative control (DDD‐IIC) approach is proposed to compensate for both nonlinear hysteresis and dynamics of Hammerstein systems. Simultaneous hysteresis‐dynamics compensation is needed in control of Hammerstein systems such as smart actuators, where effects of hysteresis and dynamics coexist and become pronounced in high‐speed, large‐range output tracking. Challenges, however, arises as hysteresis modeling, as needed in many existing control methods, can be complicated and prone to uncertainties, and the hysteresis and the dynamics are coupled and tend to change due to the variations of the system conditions (e.g., the aging of smart actuators). The proposed DDD‐IIC technique aims to achieve simultaneous hysteresis‐dynamics compensation with no need for modeling hysteresis and/or dynamics, and with both precision tracking and good robustness against hysteresis/dynamics variations. The convergence of the DDD‐IIC algorithm in the presence of random output disturbance/noise is analyzed. It is shown that when the noise is negligible, exact tracking is achieved and the size of hysteresis accounted is given by the Golden ratio. The proposed DDD‐IIC method is demonstrated via experiments of high‐speed large‐range output tracking on two different types of smart actuators with symmetric and asymmetric hysteresis behavior, respectively.
Did court dismiss student’s breach‐of‐contract claim?
Authors: Lyerly Eric
Published: October 2022

Howard University College of Medicine expelled a student after an honor council determined she improperly adjusted an exam answer during a post‐exam process.
Take a fresh look at the role of career services
Authors: McCarthy Claudine
Published: October 2022

After several years as an interior designer and then teaching design at two universities, a seemingly unlikely career change almost eight years ago led Carol Brown, M.S., to her current role as Associate Dean of Life Calling and Career at Indiana Wesleyan University, a Christian institution. But Brown’s career path is actually not that unusual.
Factors influencing green purchases: An emerging market perspective
Authors: Parker Hamieda , Bhatti Waheed Akbar , Chwialkowska Agnieszka , Marais Thiam
Published: October 2022

Educators, marketers, and policymakers need to understand what factors influence the consumers' purchase of green products to encourage green product buying. Thus, this study examines the antecedents to green purchases. An online survey provides quantitative input for a SmartPLS analysis. The study draws on the theory of consumption values to investigate how emotional and social values affect green purchasing decisions. The role of knowledge‐seeking in developing these values is investigated and found to be significantly positive. The relationships between emotional value, social value, and green purchase behavior are found to be mediated by environmental concerns. This study contributes to the discussion around consumption values by showing that environmental concern has a stronger relationship with green purchases than emotional and social value. It is through the environmental concern that emotional and social values influence green purchases. Our findings suggest that marketers should leverage the consumers' knowledge‐seeking and environmental concern in their advertising campaigns by emphasizing a specific green product novelty and highlighting the casual connection between green buying and their effect on the environment.
Climate reporting quality following the recommendations of the task force on climate‐related financial disclosures: A Focus on the German capital market
Authors: Braasch Annabelle , Velte Patrick
Published: October 2022

This paper investigates the quality of climate reporting by German DAX30 companies based on legitimacy theory. The study refers to a content analysis of climate‐related corporate disclosures from 2018 to 2020, related to the recommendations of the Task Force on Climate‐related Financial Disclosures (TCFD). The results show that there is still considerable room for improvement among carbon‐sensitive as well as less carbon‐sensitive firms. In particular, the companies showed poor reporting rates in the corporate governance domain, indicating that they use climate reporting symbolically to present themselves in a favorable light and to gain legitimacy in society. Moreover, carbon‐sensitive companies were more likely to report strategically relevant information on climate issues. The results are most relevant for researchers, business practice and regulatory bodies.
The shapes of synthesized two‐dimensional materials
Authors: Kong Xiao , Fu Chengrui , Gladkikh Vladislav , Ding Feng
Published: October 2022

The shapes of as‐grown/as‐etched two‐dimensional (2D) islands are the most recognizable features of the chemical vapor deposition (CVD) process which reveal a lot of information about the chemical environment of growth/etching, the effect of the substrate and the growth/etching kinetics. Here, we summarize experimentally observed shapes of CVD‐grown 2D materials from previous reports, theoretical understanding on the corresponding mechanisms and the simulations of the corresponding growth/etching processes. Each part of the review article is organized by combining the fundamental principles that govern the shapes of crystals during growth/etching and the related experimental observations to facilitate the readers to read and understand the content. The content of the review includes attachment‐limited 2D materials growth, diffusion‐limited 2D materials growth (both with and without influence of the substrate), etching and merging of 2D materials with and without considering the effect of the substrate. We also discuss growth and etching of multilayered 2D islands during CVD—a topic still under development. We wish this review will also guide the audience to understand the kinetics of 2D materials growth and to improve controllable synthesis of various 2D materials.
Self‐Organized Anode Interlayer Enables PEDOT:PSS‐Free Structure for Thick‐Film Organic Solar Cells over 16% Efficiency
Authors: Jing Jianhua , Dong Sheng , Zhang Kai , Zhou Zhisheng , Zhang Jiabin , Xue Qifan , Huang Fei
Published: October 2022

Thickness‐insensitivity of organic solar cells (OSCs) is a crucial issue for transformation from the laboratory‐scale devices to large‐area solar panels. Generally, the low carrier mobility of organic semiconductors hindering charge transport process leads to severe recombination losses and further poisons the fill factor (FF) in thick‐film OSCs. Herein, a PEDOT:PSS‐free pseudoplanar heterojunction OSC from sequential deposition method with self‐organized [2‐(9H‐carbazol‐9‐yl)ethyl]phosphonic acid interlayer is fabricated. The notable power conversion efficiency (PCE) enhancement from PEDOT:PSS‐based device of 17.0% to PEDOT:PSS‐free device of 17.8% is obtained in thin‐film devices (≈100 nm), which is correlated to the improved incident photons absorption by the absence of PEDOT:PSS. Besides, the PEDOT:PSS‐free device exhibits excellent thickness tolerance, with FF only degrades from 78.4% to 72.9% when the active layer thickness increases from ≈100 to ≈300 nm. The insights of remained FF are further traced to notably mitigated nongeminate recombination losses of PEDOT:PSS‐free structure. The strengthened charge extraction is also verified by reinforced built‐in potential and desirable and balanced mobilities. Consequently, the PEDOT:PSS‐free device with ≈300 nm active layer yields an inspiring PCE of 16.4%, much higher than that of PEDOT:PSS‐based device of 14.5%.
Genome‐wide identification and biological relevance of broccoli aquaporins
Authors: Nicolas‐Espinosa Juan , Carvajal Micaela
Published: October 2022

Broccoli (Brassica oleracea var. italica) is an important crop worldwide, and its regular consumption is associated with health benefits due to the presence of various bioactive compounds. An optimal water balance and homeostasis are needed for plant growth; in this sense, aquaporins play a crucial role. As a result of a genome‐wide search, a total of 65 aquaporin genes were identified in broccoli. The aquaporins were classified according to their phylogenetic relationships with other Brassicas species and Arabidopsis thaliana, and evolutionary events of gene duplication were also assessed, highlighting the tendency of NIPs (Nodulin‐26‐like Intrinsic Proteins) to duplicate. Also, the chromosomal localization, gene duplication, the study of the conserved motifs, and the tertiary structure were determined in broccoli. Functional predictive analyses were also carried out, which, together with the expression analyses in different broccoli plant tissues, allowed the prediction of the biological role of each aquaporin isoform. BoiPIP1‐2a and BoiPIP1‐2b showed higher expression in all the plant tissues when compared with other aquaporins. BoiTIP1‐2b also showed high expression levels and was associated with nitrogen compounds transport such as urea. However, NIPs, through their differential expression and the tandem duplications of the isoforms, were revealed as the putative main actors in the response of broccoli plants to abiotic stress responses. The results of this work pointed to the physiological significance of each aquaporin isoform of broccoli, opening a new field of knowledge and constituting the first step of further in vivo analyses.
Environmental risk factors for inflammatory bowel disease
Authors: Singh Noreen , Bernstein Charles N.
Published: October 2022

Inflammatory bowel disease (IBD) is a chronic, progressive immune‐mediated inflammatory condition of the gastrointestinal tract. Environmental risk factors play a role in developing either type of IBD, Crohn's disease and ulcerative colitis; although the exact mechanism is still unknown. Herein, we review environmental risks from early life exposures, lifestyle and hygiene, vaccinations, surgeries, exposure to drugs and gastrointestinal pathogens that may increase the risk of developing IBD.
Recent advances in computational studies on voltage‐gated sodium channels: Drug design and mechanism studies
Authors: Wang Gaoang , Xu Lei , Chen Haiyi , Liu Yifei , Pan Peichen , Hou Tingjun
Published: October 2022

Voltage‐gated sodium channels (VGSCs/Navs), which control the flow of Na+ and affect the generation of action potentials (APs), have been regarded as essential targets for many diseases. The biological and pharmacological functions of VGSCs have been extensively studied and many efforts have been made to discover and design ligands of VGSCs as potential therapies. Here, we summarize the recent and representative studies of VGSCs from the perspective of computer‐aided drug design (CADD) and molecular modeling, including the structural biology of VGSCs, virtual screening and drug design toward VGSCs based on CADD, and functional studies using molecular modeling technologies. Furthermore, we conclude the achievements that have been made in the field of VGSCs and discuss the shortcomings found in previous studies. We hope that this review can provide some inspiration and reference for future investigations of VGSCs and drug design.

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Establishing the catalytic and regulatory mechanism of RNA‐based machineries
Authors: Borišek Jure , Aupič Jana , Magistrato Alessandra
Published: October 2022

Ribonucleoprotein (RNP)‐machineries are comprised of intricate networks of long noncoding RNAs and proteins that allow them to actively participate in transcription, RNA processing, and translation. RNP‐machineries thus play vital roles in gene expression and regulation. Recent advances in cryo‐EM techniques provided a wealth of near‐atomic‐level resolution structures setting the basis for understanding how these fascinating multiscale complexes exert their diverse roles. However, these structures represent only isolated snapshots of the plastic and highly dynamic RNP‐machineries and are thus insufficient to comprehensively assess their multifaceted mechanisms. In this review, we discuss the role and merit of all‐atom simulations in disentangling the mechanism of eukaryotic RNA‐based machineries responsible for RNA processing. We showcase how all‐atom simulations can capture their large‐scale functional movements, trace the signaling pathways that are at the root of their massive conformational remodeling, explain recognition mechanisms of specific RNA sequences, and, lastly, unravel the chemical mechanisms underlying the formation of functional RNA strands. Finally, we review the methodological pitfalls and outline future challenges in modeling key functional aspects of these large molecular engines with all‐atom simulations. In addition to providing insights into the most basic processes that govern all forms of life, in‐depth mechanistic comprehension of RNP‐machineries offers a foundation for developing innovative therapeutic strategies against the variety of human diseases linked to deregulated RNA metabolism.

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Implementing wastewater surveillance for SARS‐CoV‐2 on a university campus: Lessons learned
Authors: Wartell Brian A. , Proano Camila , Bakalian Lena , Kaya Devrim , Croft Kristen , McCreary Michael , Lichtenstein Naomi , Miske Victoria , Arcellana Patricia , Boyer Jessica , Benschoten Isabelle Van , Anderson Marya , Crabb Andrea , Gilson Susan , Gourley Anthony , Wheeler Tim , Trest Brian , Bowman Glynnis , Kjellerup Birthe V.
Published: October 2022

Wastewater surveillance, also known as wastewater‐based epidemiology (WBE), has been successfully used to detect SARS‐CoV‐2 and other viruses in sewage in many locations in the United States and globally. This includes implementation of the surveillance on college and university campuses. A two‐phase study was conducted during the 2020–2021 academic year to test the feasibility of a WBE system on campus and to supplement the clinical COVID‐19 testing performed for the student, staff, and faculty body. The primary objective during the Fall 2020 semester was to monitor a large portion of the on‐campus population and to obtain an understanding of the spreading of the SARS‐CoV‐2 virus. The Spring 2021 objective was focused on selected residence halls and groups of residents on campus, as this was more efficient and relevant for an effective follow‐up response. Logistical problems and planning oversights initially occurred but were corrected with improved communication and experience. Many lessons were learned, including effective mapping, site planning, communication, personnel organization, and equipment management, and obtained along the way, thereby paving an opportune guide for future planning efforts.

Practitioner Points

WBE was successful in the detection of many SARS‐CoV‐2 variants incl. Alpha, Beta, Gamma, Delta, Lambda, Mu, and Omicron.

Careful planning and contingencies were essential for a successful implementation of a SARS‐CoV‐2 monitoring program.

A surveillance program may be important for detection and monitoring of other public health relevant targets in wastewater incl. bacteria, viruses, fungi and viruses.

Diverse lessons were learned incl. effective mapping, site planning, communication, personnel organization, and equipment management, thereby providing a guide for future planning efforts.
A comparative analysis of the magnetized sodium alginate‐based hybrid nanofluid flows through cone, wedge, and plate
Authors: Dawar Abdullah , Islam Saeed , Shah Zahir , Lone Showkat Ahmad
Published: October 2022

The heat transmissions of magnetohydrodynamic nanofluid flow through the cone, wedge, and plate have many industrial and commercial applications. The cone, wedge, and plate geometries are widely used in polymer data processing. That is why the authors have chosen to analyze the heat transmission of a hybrid nanofluid flow over multiple geometries. The hybrid nanofluid flow contains copper and silver nanoparticles, whereas sodium alginate is used as a base fluid. The impacts of thermal Grashof number, magnetic parameter, thermal radiation, and the Chataneo–Christov heat flux model are taken into consideration. The generated system of differential equations is solved with the help of homotopy analysis method (HAM). The convergence of HAM is also shown with the help of figures. Validation of current findings with previously reported findings over a cone surface has been analyzed and has found a great agreement with those reported results. The results showed that the temperature Grashof number reduces skin frictions while the augmenting magnetic parameter increases them. When compared to cone and plate geometry, these effects are more prominent for wedge geometry. Also, the impact of magnetic factor is 38% greater and the thermal Grashof number is 47% greater for hybrid nanofluid flow than the base fluid. The heat transfer rates are reduced with the increasing thermal relaxation and wall temperature parameters. The thermal relaxation is 4% greater and the wall temperature parameter is 14% greater for the hybrid nanofluid flow than the base fluid. The velocity profiles are decreased with the increasing magnetic parameter. The decreasing impact is larger for plate surface in comparison to the wedge and cone.
Generalized thermoelastic waves in a homogeneous anisotropic plate with voids
Authors: Pathania Vijayata , Dhiman Pankaj
Published: October 2022

In this contribution, the thermoelastic Lamb waves in the homogeneous, transversely isotropic, plate with voids have been investigated in the context of classical and non‐classical theories of thermoelasticity. To investigate the problem, the fundamental governing equations have been developed in a unified way. On the solutions of these governing equations, the thermal and mechanical stress‐free boundary conditions, as well as constraints due to voids, have been imposed. The solutions of governing equations indicate that there exists a coupled system of wave motion called thermal waves (T‐mode), void wave motion (V‐mode), and elastic waves (E‐mode). However, the shear horizontal component of elastic wave decouples from the system is unaffected by elasto‐poro‐thermal coupling. For the symmetric and anti‐symmetric families of vibrations, the secular equation for the wave motion along with its special cases has been derived. To discover the wave characteristics, the secular equation has been solved using the numerical‐functional iteration method in MATLAB software, and the findings have been manifested by plotting the graphs. It has been concluded that the presence of voids affects the magnitudes of phase velocity, attenuation coefficient, and specific loss. This work may be helpful for geophysicists and engineers in the field of earthquake engineering. The developers of modern facilitating things such as acoustic touch screens, liquid viscosity sensors, etc. which are based on Lamb‐type wave propagation may also get benefitted.
PDF bias and flavor dependence in TMD distributions
Authors: Bury Marcin , Hautmann Francesco , Leal-Gomez Sergio , Scimemi Ignazio , Vladimirov Alexey , Zurita Pia
Published: October 2022

Abstract

Transverse momentum dependent (TMD) distributions match collinear parton density functions (PDF) in the limit of small transverse distances, which is accounted for by global extractions of TMD distributions. We study the influence of the collinear PDF value and uncertainties on the determination of unpolarized TMD distributions and the description of Drell-Yan (DY) and Z-boson production measurements at low transverse momenta. We take into account, for the first time in fits including TMD evolution, flavor-dependent non-perturbative TMD profiles. We carry out a Bayesian analysis to incorporate the propagation of PDF uncertainties into TMD extractions. We find that collinear PDF uncertainties and non-perturbative TMD flavor dependence are both essential to obtain reliable TMD determinations, and should be included in future global analyses.
M5-branes probing flux backgrounds
Authors: Bah Ibrahima , Bonetti Federico , Leung Enoch , Weck Peter
Published: October 2022

Abstract

We analyze the global symmetries and anomalies of 4d $$ \mathcal{N} $$
N
= 1 field theories that arise from a stack of N M5-branes probing a class of flux backgrounds. These backgrounds consist of a resolved ℂ2/ℤk singularity fibered over a smooth Riemann surface of genus g ≥ 2, supported by a non-trivial G4-flux configuration labeled by a collection of 2(k − 1) flux quanta, {Ni}. For k = 2, this setup defines a non-trivial superconformal field theory (SCFT) in the IR, which is holographically dual to an explicit AdS5 solution first described by Gauntlett, Martelli, Sparks, and Waldram. The generalization to k ≥ 3 is hard to tackle directly within holography. Instead, in this paper we lay the groundwork for a systematic analysis of such a generalization by adopting anomaly inflow methods to identify continuous and discrete global symmetries of the 4d field theories. We also compute the ’t Hooft anomalies for continuous symmetries at leading order in the limit of large N, Ni.