bluuebunny/crossref_metadata_2025_split huggingface dataset:
808 nm Near‐Infrared Light‐Triggered Payload Release from Green Light‐Responsive Donor–Acceptor Stenhouse Adducts Polymer‐Coated Upconversion Nanoparticles
Authors: Lin Jianxun , Ma Hao , Wang Zhonghui , Zhou Shenglin , Yan Bin , Shi Feng , Yan Qiang , Wang Jiliang , Fan Haojun , Xiang Jun 
Published: August 2021

AbstractOwing to deep activation in biotissues and enhanced targeting efficiency, developing photoresponsive polymer‐upconversion nanoparticles (PP‐UCNPs) nanovectors has witnessed rapid growth in the past decade. However, up to date, all developed nanovectors require high‐order photon processes to initiate the release of cargos. The photodamage caused by high‐power near‐infrared laser light may be a critical obstacle to their clinical application. Here, for the first time, by leveraging absorption–emission spectral matching between donor–acceptor Stenhouse adducts (DASA) PP and UCNPs (λex, 808 nm) in the green region (≈530 nm), the designed nanovector is capable of releasing cargos at a low‐power 808 nm excitation (0.2 W). Considering the high molar absorptivity, biobenign, and synthetic tunability of DASA, DASA PP can be utilized as an up‐and‐coming candidate to design and synthesize the next generation of upconversion nanovectors without photodamage.
Vegetable Oil‐Based Waterborne Polyurethane as Eco‐Binders for Sulfur Cathodes in Lithium–Sulfur Batteries
Authors: Chen Zhuzuan , Man Limin , Liu Ju , Lu Liangmei , Yang Zhuohong , Yang Yu 
Published: August 2021

AbstractLithium–sulfur batteries (LSBs) suffer from well‐known fast capacity losses despite their extremely high theoretical capacity and energy density. These losses are caused by dissolution of lithium polysulfide (LiPS) in ether‐based electrolytes and have become the main bottleneck to widespread applications of LSBs. Therefore, there is a significant need for electrode materials that have a strong adsorption capacity for LiPS. Herein, a waterborne polyurethane (WPUN) containing sulfamic acid (NH2SO3H) polymer is designed and synthesized as an aqueous‐based, ecofriendly binder by neutralizing sulfamic acid with a tung oil‐based polyurethane prepolymer. UV–vis spectroscopy shows that the WPUN strongly immobilizes LiPS and thus is an effective inhibitor of the LiPS. Moreover, the WPUN binder has excellent adhesive and mechanical properties that improve the integrity of sulfur cathodes. The WPUN‐based cathodes exhibit a significant improvement in their specific capacity and maintain a capacity of 617 mAh g−1 after 200 cycles at 0.5C. Besides, the LSBs assembled with the WPUN‐based cathodes show good rate performance from 0.2C (737 mAh g−1) to 4C (586 mAh g−1), which is significantly higher than that of LSBs assembled with a commercial polymer binder. The structural design of the presented binder provides a new perspective for obtaining high‐performance LSBs.
Graphoepitaxy of Symmetric Six‐Arm Star‐Shaped Poly(methyl methacrylate)‐block‐Polystyrene Copolymer Thin Film
Authors: Park So Yeong , Jeong Hyeon U , Lee Jaeyong , Jang Junho , Kim Sanghoon , Choi Chungryong , Kim Jaeup U. , Kim Jin Kon 
Published: August 2021

AbstractThe authors perform directed self‐assembly based on graphoepitaxy of symmetric six‐arm star‐shaped poly(methyl methacrylate)‐block‐polystyrene copolymer [(PMMA‐b‐PS)6] thin film. The affinity between each block and the trench wall is adjusted by using polymer brushes or selective gold (Au) deposition. When the surface of the trench is strongly selective for the PMMA block, (n+0.75)L0 thick (n is the number of the lamellae, L0 is lamellar domain spacing) lamellae parallel to the trench wall are formed at each side, while nanotubes are formed away from the trench wall. However, for a trench grafted with PS brushes, nanotubes are formed beside (n+0.25)L0 thick lamellar layers. By adjusting the trench width (W) and the affinity between the block and the wall, various dual nanopatterns consisting of lines and nanotubes are fabricated. Moreover, when the trench wall is selectively deposited by Au, asymmetric dual nanopattern is formed, where different numbers of lines exist on each side wall, while nanotubes are formed in the middle of the trench. The observed morphologies depending on the commensurability condition between W and L0 are consistent with predictions by self‐consistent field theory.
Association predictions of genomics, proteinomics, transcriptomics, microbiome, metabolomics, pathomics, radiomics, drug, symptoms, environment factor, and disease networks: A comprehensive approach
Authors: Pan Yi , Lei Xiujuan , Zhang Yuchen 
Published: August 2021

AbstractCurrently, the research of multi‐omics, such as genomics, proteinomics, transcriptomics, microbiome, metabolomics, pathomics, and radiomics, are hot spots. The relationship between multi‐omics data, drugs, and diseases has received extensive attention from researchers. At the same time, multi‐omics can effectively predict the diagnosis, prognosis, and treatment of diseases. In essence, these research entities, such as genes, RNAs, proteins, microbes, metabolites, pathways as well as pathological and medical imaging data, can all be represented by the network at different levels. And some computer and biology scholars have tried to use computational methods to explore the potential relationships between biological entities. We summary a comprehensive research strategy, that is to build a multi‐omics heterogeneous network, covering multimodal data, and use the current popular computational methods to make predictions. In this study, we first introduce the calculation method of the similarity of biological entities at the data level, second discuss multimodal data fusion and methods of feature extraction. Finally, the challenges and opportunities at this stage are summarized. Some scholars have used such a framework to calculate and predict. We also summarize them and discuss the challenges. We hope that our review could help scholars who are interested in the field of bioinformatics, biomedical image, and computer research.
Potential Benefits of Berry Anthocyanins on Vascular Function
Authors: Festa Joseph , Da Boit Mariasole , Hussain Aamir , Singh Harprit 
Published: August 2021

AbstractCardiovascular disease (CVD), such as hypertension and atherosclerosis, is the leading cause of global death. Endothelial dysfunction (ED) is a strong predictor for most CVD making it a therapeutic target for both drug and nutrition interventions. It has been previously shown that polyphenols from wine and grape extracts possess vasodilator activities, due to the increased expression and phosphorylation of the endothelial nitric oxide synthase (eNOS), and consequent vasodilator nitric oxide (NO) production. This is vital in the prevention of ED, as NO production contributes to the maintenance of endothelial homeostasis. Moreover, polyphenols have the ability to inhibit reactive oxygen species (ROS), which can cause oxidative stress, as well as suppress the upregulation of inflammatory markers within the endothelium. However, while the majority of the research has focused on red wine, this has overshadowed the potential of other nutritional components for targeting ED, such as the use of berries. Berries are high in anthocyanin flavonoids a subtype of polyphenols with studies suggesting improved vascular function as a result of inducing NO production and reducing oxidative stress and inflammation. This review focuses on the protective effects of berries within the vasculature.
Towards robust, fast solutions of elliptic equations on complex domains through hybrid high‐order discretizations and non‐nested multigrid methods
Authors: Di Pietro Daniele A. , Hülsemann Frank , Matalon Pierre , Mycek Paul , Rüde Ulrich , Ruiz Daniel 
Published: August 2021

AbstractThe use of modern discretization technologies such as hybrid high‐order (HHO) methods, coupled with appropriate linear solvers, allow for the robust and fast solution of partial differential equations (PDEs). Although efficient linear solvers have recently been made available for simpler cases, complex geometries remain a challenge for large scale problems. To address this problem, we propose in this work a geometric multigrid algorithm for unstructured non‐nested meshes. The non‐nestedness is handled in the prolongation operator through the use of the ‐orthogonal projection from the coarse elements onto the fine ones. However, as the exact evaluation of this projection can be computationally expensive, we develop a cheaper approximate implementation that globally preserves the approximation properties of the ‐orthogonal projection. Additionally, as the multigrid method requires not only the coarsening of the elements, but also that of the faces, we leverage the geometric flexibility of polytopal elements to define an abstract non‐nested coarsening strategy based on element agglomeration and face collapsing. Finally, the multigrid method is tested on homogeneous and heterogeneous diffusion problems in two and three space dimensions. The solver exhibits near‐perfect asymptotic optimality for moderate degrees of approximation.
Experimental investigation and molecular dynamics simulations of the effect of processing parameters on the filling quality of injection‐molded micropillars
Authors: Weng Can , Sun Huijie , Lai Jun , Liu Jiezhen , Zhai Zhanyu 
Published: August 2021

AbstractMicroinjection molding has been attracting increasing attention and application in fabricating products with functional surface microstructures. The processing parameters, packing pressure, and melt temperature have important effects on the filling quality. In order to study the mechanisms of the packing pressure and melt temperature on the filling quality of micropillars, a simulation model of injection molding of nanopillars was constructed by molecular dynamics software and a series of injection molding experiments of micropillars were carried out in this paper. Subsequently, the mechanisms were analyzed qualitatively. The results showed that the frozen layers were formed at the interface between the polymer melt and mold under the action of heat transfer, which prevented effective filling of the polymer melt. The filling quality of the micropillars could be improved significantly via increasing the melt temperature and the packing pressure, but the mechanisms were different. To be specific, the increase of the packing pressure could make more polymer melts fill into the cavity fully. Thus, the density of the micropillars was increased and the filling quality could be improved. The forming rate of frozen layers could be slowed down by increasing the melt temperature. As a result, the purpose of improving the filling quality was achieved.
Mind the gap
Authors: Parry John 
Published: August 2021

AbstractSimcenter is a flexible, open, and scalable portfolio of the best predictive simulation and test applications that support you at every step in your digital journey. Simcenter is a key component within the Xcelerator portfolio, allowing engineers to generate a set of ultrarealistic, multiphysics models and data that can predict real product behavior. By providing insight into the real‐world performance of a product or a process, Simcenter allows you to accelerate innovation over the entire lifecycle. As an example, this article examines work done by Terence Graham and Bonnie Mack at Ciena Corp. in support of IA# OIF‐Thermal‐01.0 IA that included a study of the thermal interface resistance between a CFP2 lid and heat sink base, including heat spreading effects.
Optical fabrication chain design
Authors: Fähnle Oliver , Rascher Rolf , Tinner Marco 
Published: August 2021

AbstractIt takes optical systems such as sophisticated car headlights, telescopes or endoscopes to apply light as a tool, for example to see in the dark, to detect rocks in outer space or stones in a human kidney. As the accuracy of the usage of light tools is increasing rapidly, the quality of optical systems has to follow accordingly. So the process of generating optical systems needs to be optimized to enable the optimum transfer of accuracy and quality to all subsequent entities in the creation process, right from the initial application idea through to final acceptance testing.
‘GA JT141‐14E45’: A new soft red winter wheat cultivar adapted to Georgia and the U.S. Southeast region
Authors: Mergoum Mohamed , Johnson Jerry W. , Buck James W. , Sutton Steve , Lopez Benjamin , Bland Daniel , Chen Z. , Buntin G. D. , Mailhot Daniel J. , Babar Md A. , Mason Richard E. , Harrison Stephen A. , Murphy J. Paul , Ibrahim Amir M. H. , Sutton Russell L. , Simoneaux Bryan E. , Griffey Carl A. , Bockelman Harold E. , Baik Byung‐Kee , Marshall David , Cowger Christina , Brown‐Guedira Gina L. , Kolmer James A. , Jin Yue , Chen X. , Cambron Sue E. 
Published: August 2021

AbstractIn Georgia and the southeast region of the United States, acreage of soft red winter wheat (SRWW) (Triticum aestivum L.) has decreased in recent years. There is an urgent need to release new cultivars with high yield potential, resistance to yield‐limiting diseases and insects, and good baking quality to maximize value in regional markets. To address this, the SRWW breeding program at the University of Georgia (UGA), in collaboration with the SUNGRAINS breeding programs, developed ‘GA JT141‐14E45’ (Reg. no. CV‐1183, PI 689519), a SRWW cultivar released by the UGA College of Agricultural and Environmental Sciences and licensed to AGSouth (AGS) Genetics as AGS 3030. GA JT141‐14E45 is widely adapted to the U.S. Southeast, having high yield, good resistance to diseases such as leaf rust, stripe rust, powdery mildew, and Soil‐borne wheat mosaic virus (SBWMV) and to current biotypes of Hessian fly (Mayetiola destructor Say). It has good resistance to Fusarium head blight (FHB) or scab. GA JT141‐14E45 has good grain volume weight and acceptable milling and baking quality. GA JT141‐14E45 was derived from the cross of ‘AGS 2026’/‘Jamestown’. Jamestown was used in the cross mainly for its resistance to FHB (FHB QTL 1A‐Neuse and 1B‐Jamestown). AGS 2026 is a UGA cultivar released in 2007 with very good disease resistance to rusts (Yr17/Lr37/Sr38), Hessian fly resistance (H13), and excellent yield.
Substituent effects on the stability of N‐heterocyclic germylenes using density functional theory
Authors: Zhong‐yang Liu , Long‐qiang He , Ahmadi Sheida 
Published: August 2021

AbstractThe effects of one and two fused six‐membered heterocyclic rings on properties of novel singlet and triplet germylenes are studied, at density functional theory (DFT). The aim of the present work is to recognize the influence of nitrogen and phosphorus heteroatoms along with germylene center (GeC) on the stability, band gap, polarity, polarizability, electrophilicity, nucleophilicity, and charge. Irrespective of ortho or para organization, fusion of one pyridine and phosphinine ring causes more vibration frequency, stabilizing influence, and polarizability than two fused ones. The natural bond orbital (NBO) analysis of one fused germylenes displays covalent bonds with different powers between nitrogen and phosphorus heteroatoms with germylene center. They show different occupancy number for lone pair on the heteroatoms at ortho or para position. Also, because of dissimilar interactions of LPN8→σ*C3‐Ge16, σC3‐Ge16→σ*C2‐N6, LPP16→σ*C3‐Ge15, and σC3‐Ge15→σ*C2‐P16, they have different stabilization energy (E(2)). There is a good consistency between singlet‐triplet energy separation (ΔEs‐t = Et – Es) and E(2) values. The stability based on ΔEs‐t and E(2) values of para‐one fused germapyridines is more than the ortho‐ones.
Structural and physical properties of trichloroethylene under an external electric field
Authors: Tao Yaping , Su Mingzhu , Duan Zhixia , Han Ligang , Sun Kexi 
Published: August 2021

AbstractStudy on a series of physical and chemical changes of molecules under an external electric field (EEF) can deeply understand the properties of molecules. Trichloroethylene is widely used in industrial solvents, extractants, fungicides, refrigerants, dry cleaning, and other fields. In this work, the structural and physical characteristics of trichloroethylene under EEF were investigated on the basis of density functional theory within the B3LYP/def2‐TZVP level. Calculated results show that the bond lengths, bond angles, total energy, dipole moment, charge, and Raman spectra change under EEF. Under the effect of EEF, the Raman spectra show vibrational stark effect, which causes a redshift or blueshift of the wavenumbers. These results help to understand the effect of EEF on structures and physical properties and provide effective guidance for various applications.
The indispensable role of pharmacy services and medication therapy management in cystic fibrosis
Authors: Grant Jonathan J. , McDade Erin J. , Zobell Jeffery T. , Young David C. 
Published: August 2021

AbstractCare for people with cystic fibrosis (PWCF) is highly complex and requires a multidisciplinary approach where the pharmacist plays a vital role. The purpose of this manuscript is to serve as a guideline for pharmacists and pharmacy technicians who provide care for PWCF by providing background and current recommendations for the use of cystic fibrosis (CF)‐specific medications in both the acute and ambulatory care settings. The article explores current literature surrounding the role of pharmacists and pharmacy technicians, proven pharmacy models to emulate, and pharmacokinetic idiosyncrasies unique to the CF population while also identifying areas of future research. Clinical recommendations for the use of CF‐specific medications are broken down by organ system including mechanism of action, adverse events, dosages, and monitoring parameters. The article also includes quick reference tables essential to the acute and chronic medication therapy management of PWCF.
Development of H2O2 Based Mixed Hybrid Rocket
Authors: Marothiya Gaurav , Ramakrishna P. A. , Saravanan N. , Kumar Solasa Praveen 
Published: August 2021

AbstractAs a green oxidizer, hydrogen peroxide is an earth‐storable, non‐toxic liquid oxidizer. This study shows a possible combination of wax‐based aluminized fuel with hydrogen peroxide as an oxidizer, which can be used to improve the specific impulse and density specific impulse of the hybrid rockets. In this study, various methods have been tried to ignite the hybrid rocket and measure the regression rates and ballistic performance. This research presents sustainable combustion of hydrogen peroxide with aluminized wax‐based fuel without the need for any catalyst bed. This combination of hybrid propellant demonstrates superiority over other fuels with hydrogen peroxide and shows promises in terms of an option as the future green propellant. The theoretical specific impulse of about 315 s at 100 bar with a nozzle exit area ratio of 50 is shown by this fuel and oxidizer combination. Another benefit of this combination of hybrid propellant is that the peak specific impulse is obtained at an O/F ratio of almost unity which makes the system more compact.
Assimilating atmospheric infrasound data to constrain atmospheric winds in a two‐dimensional grid
Authors: Amezcua Javier , Barton Zak 
Published: August 2021

AbstractInfrasound waves travelling through atmospheric channels are affected by the conditions they encounter along their path. The shift in the back azimuth angle of a wavefront detected at the reception site depends on the cross‐winds it encountered. Estimating the original field from this integrated measurement is an (ill‐posed) inverse problem. By using a prior, this can be converted into a Bayesian estimation problem. In this work, we use the (ensemble) Kalman filter (EnKF) to tackle this problem. In particular, we provide an illustration of the setup and solution of the problem in a two‐dimensional grid, depending on both across‐track distance and height, which has not been done in previous works. We use a synthetic setup to discuss the details of the method. We show that one of the effects of along‐track averaging (done in previous studies to simplify the problem) is to overestimate the magnitude of the analysed values, and propose that this will be a source of model error. We also illustrate the process with real data corresponding to nine controlled ammunition explosions that took place in the summer of 2018. In these cases, the real infrasound waves we study seldom reach higher than  km in height. However, the use of covariance‐based methods (e.g., the EnKF) allows for updates in higher regions where the wave did not travel and where traditional observations are sparse. In fact, the larger impacts from observations in these cases are in the region of 40–60 km, in agreement with previous works. This study contributes to paving the way towards the ultimate goal of assimilating information derived from infrasound waves into operational numerical weather forecasting. More studies in quality control of the observations and proper validation of the results are urgently needed.
Circulation conservation in the outflow of warm conveyor belts and consequences for Rossby wave evolution
Authors: Saffin Leo , Methven John , Bland Jake , Harvey Ben , Sanchez Claudio 
Published: August 2021

AbstractRossby waves on the jet stream are associated with meridional motions, displacing air and the strong potential vorticity (PV) gradient on isentropic surfaces. Poleward motion along sloping isentropic surfaces typically results in ascent and a ridge of air with low PV values. Latent heating in the ascending warm conveyor belt (WCB) enables air to cross isentropic surfaces so that the WCB outflow into a ridge occurs in a higher isentropic layer than the inflow. However, the PV impermeability theorem states that there can be no PV flux across isentropic surfaces, so how can heating alter the PV pattern of a Rossby wave? Here, the ways in which heating in WCBs can influence Rossby wave evolution at tropopause level are explained in the context of the PV impermeability theorem. First, a WCB outflow volume is defined by the upper tropospheric air in a ridge that has experienced net heating over the last few days, using a tracer within short global model forecasts. Second, the boundary of this outflow volume is tracked backwards using isentropic trajectories allowing quantification of the degree to which circulation is conserved, as predicted by theory, even though the WCB transports mass into the volume from lower isentropic layers. This diabatic flux of mass into the outflow volume results in an increase in density and expansion in the outflow area, the partition being determined approximately by PV inversion. The area expansion, combined with conservation of circulation, implies stronger anticyclonic vorticity. The relative vorticity change from divergent outflow can be as large as the decrease relative to the background planetary vorticity associated with poleward displacement of the circuit. The additional anticyclonic relative motion results in enhanced anticyclonic overturning of PV contours on the eastern flank of the ridge, altering qualitatively the nonlinear evolution of the Rossby wave.