bluuebunny/crossref_metadata_2025_split huggingface dataset:
Artificial polydopamine interface for high‐performance ambient particulate matter removal at large velocity
Authors: Tian Enze , Liu Jun , Gao Yilun , Mo Jinhan , Zhang Shaolin , Bai Xuedong , Liu Kehai , Xu Guiyin , Liu Kaihui 
Published: March 2023

AbstractAmbient particulate matter (PM) has been identified as the fourth‐ranking risk factor for mortality globally, and efficient ventilation filtration technologies are urgently needed. In most previous trials, however, high filtration efficiency was achieved either at a low face air velocity or at a large pressure drop cost. Here, nine coarse filters with in situ polydopamine (PDA) coatings were reported, which significantly improved the efficiency‐pressure drop‐energy consumption performance. By optimizing the filter substrate and synergistically modulating the electric fields, the artificial PDA coarse filter showed a high filtration efficiency of 96.9% for 0.3–0.5 μm particles, and a low pressure drop of 9.2 Pa at 1 m/s air velocity. At an extremely large air velocity of 4 m/s, the filtration efficiency remained as high as 94.3% for 1–3 μm particles. This work offers the engineering application opportunity for high‐air‐velocity filtration, paving the way to a safe, healthy, and energy‐saving environment.
The synergy of dis‐/ordering ensures the superior comprehensive performance of P2‐type Na‐based layered oxide cathodes
Authors: Gan Lu , Yuan Xin‐Guang , Han Jia‐Jun , Li Jiaxin , Zheng Lituo , Yao Hu‐Rong 
Published: March 2023

AbstractTwo kinds of crystal orderings in layered oxides typically exhibit opposite influences on performances: Na+/vacancy ordering in alkali metal layers with an unfavorable effect on electrochemical performance and the cation ordering in transition metal layers with a positive effect on air stability. However, because the two kinds of orderings are associated with each other and often occur at the same time, it is difficult to achieve an excellent comprehensive performance. Herein, we propose a strategy of introducing a new cation ordering to construct the coexistence of Na+ disordering and transition metal ordering. An absolute solid‐solution reaction mechanism is realized in the Na+ disordered system, resulting in a superior cycling stability of 90.4% retention after 150 cycles and a rate performance of 82.7 mAh g−1 capacity at 10C, much higher than the original 81.3% and 66.4 mAh g−1. Simultaneously, the cation ordering strengthens the interlayer interaction and inhibits the insertion of water molecules from the air, ensuring stable lattice stability and thermostability after air exposure. The synergy of dis‐/ordering configuration provides new insights to design high‐performance layered oxide cathode materials for secondary‐ion batteries.
Electrode/electrolyte interfacial engineering for aqueous Zn‐ion batteries
Authors: Tang Yongwei , Li Jin‐Hong , Xu Chen‐Liang , Liu Mengting , Xiao Bing , Wang Peng‐Fei 
Published: March 2023

AbstractAqueous Zn‐ion batteries (AZIBs) hold great promise for large‐scale energy storage applications due to their low cost, intrinsic safety, and high theoretical capacity. However, the delivery of stable electrode–electrolyte interface becomes the main challenge for developing high‐performance AZIBs with long cycle life and high capacity. On the cathode side, the dissolution of active materials, formation of byproducts, and unsatisfactory interfacial compatibility frequently occur. Meanwhile, the Zn metal anodes usually suffer from inevitable Zn dendrites and parasitic reactions. Both the electrode–electrolyte interface issues for the cathodes and anodes will finally result in poor electrochemistry reversibility and fast capacity decay. With this perspective, this review focuses on the key scientific issues occurred at the electrode interfaces, and also proposes corresponding interfacial optimization strategies, including surface modification and electrolyte optimization, aiming at providing guidelines for the design of high‐performance AZIBs based on the understanding of interface improvement and practical application considerations.
Is DFT Accurate Enough to Calculate Regioselectivity? The Case of 1,3‐Dipolar Cycloaddition of Azide to Alkynes and Alkenes
Authors: Molteni Giorgio , Ponti Alessandro 
Published: March 2023

AbstractThe importance of regioselectivity in 1,3‐dipolar cycloadditions (DCs) makes it surprising that no benchmarking study on this problem has appeared. We investigated whether DFT calculations are an accurate tool to predict the regioselectivity of uncatalyzed thermal azide 1,3‐DCs. We considered the reaction between HN3 and 12 dipolarophiles, comprising ethynes HC≡C−R and ethenes H2C=CH−R (R=F, OH, NH2, Me, CN, CHO), which cover a broad range of electron demand and conjugation ability.We established benchmark data by the W3X protocol [complete‐basis‐set‐extrapolated CCSD(T)‐F12 energy with T‐(T) and (Q) corrections and MP2‐calculated core/valence and relativistic effects] and showed that core/valence effects and high‐order excitations are important for accurate regioselectivity.Regioselectivities calculated using an extensive set of density functional approximations (DFAs) were compared with benchmark data. Range‐separated and meta‐GGA hybrids gave the best results. Good treatment of self‐interaction and electron exchange are the key features for accurate regioselectivity. Dispersion correction slightly improves agreement with W3X results. The best DFAs provide the isomeric TS energy difference with an expected error ≈0.7 mh and errors ≈2 mh can occur. The isomer yield provided by the best DFA has an expected error of ±5 %, though errors up to 20 % are not rare. At present, an accuracy of 1–2 % is unfeasible but it seems that we are not far from achieving this goal.
Heatwave restructures marine intertidal communities across a stress gradient
Authors: Whalen Matthew A. , Starko Samuel , Lindstrom Sandra C. , Martone Patrick T. 
Published: March 2023

AbstractSignificant questions remain about how ecosystems that are structured by abiotic stress will be affected by climate change. Warmer temperatures are hypothesized to shift species along abiotic gradients such that distributions track changing environments where physical conditions allow. However, community‐scale impacts of extreme warming in heterogeneous landscapes are likely to be more complex. We investigated the impacts of a multiyear marine heatwave on intertidal community dynamics and zonation on a wave‐swept rocky coastline along the Central Coast of British Columbia, Canada. Leveraging an 8‐year time series with high seaweed taxonomic resolution (116 taxa) that was established 3 years prior to the heatwave, we document major shifts in zonation and abundance of populations that led to substantial reorganization at the community level. The heatwave was associated with shifts in primary production away from upper elevations through declines in seaweed cover and partial replacement by invertebrates. At low elevations, seaweed cover remained stable or recovered rapidly following decline, being balanced by increases in some species and decreases in others. These results illustrate that, rather than shifting community zonation uniformly along abiotic stress gradients, intense and lasting warming events may restructure patterns of ecological dominance and reduce total habitability of ecosystems, especially at extreme ends of pre‐existing abiotic gradients.
Long‐term outcomes in heart failure with preserved ejection fraction: Predictors of cardiac and non‐cardiac mortality
Authors: Shahim Angiza , Hourqueig Marion , Lund Lars H. , Savarese Gianluigi , Oger Emmanuel , Venkateshvaran Ashwin , Benson Lina , Daubert Jean‐Claude , Linde Cecilia , Donal Erwan , Hage Camilla 
Published: March 2023

AbstractAimsHeart failure (HF) with preserved ejection fraction (HFpEF) is associated with cardiovascular (CV) and non‐CV events, but long‐term risk is poorly studied. We assessed incidence and predictors of the long‐term CV and non‐CV events.Methods and resultsPatients presenting with acute HF, EF ≥ 45%, and N‐terminal pro‐brain natriuretic peptide > 300 ng/L were enrolled in the Karolinska‐Rennes study in 2007–11 and were reassessed after 4–8 weeks in a stable state. Long‐term follow‐up was conducted in 2018. The Fine–Gray sub‐distribution hazard regression was used to detect predictors of CV and non‐CV deaths, investigated separately from baseline acute presentation (demographic data only) and from the 4–8 week outpatient visit (including echocardiographic data). Of 539 patients enrolled [median age 78 (interquartile range: 72–84) years; 52% female], 397 patients were available for the long‐term follow‐up. Over a median follow‐up time from acute presentation of 5.4 (2.1–7.9) years, 269 (68%) patients died, 128 (47%) from CV and 120 (45%) from non‐CV causes. Incidence rates per 1000 patient‐years were 62 [95% confidence interval (CI) 52–74] for CV and 58 (95% CI 48–69) for non‐CV death. Higher age and coronary artery disease (CAD) were independent predictors of CV death, and anaemia, stroke, kidney disease, and lower body mass index (BMI) and sodium concentrations of non‐CV death. From the stable 4–8 week visit, anaemia, CAD, and tricuspid regurgitation (>3.1 m/s) were independent predictors of CV death, and higher age of non‐CV death.ConclusionsIn patients with acute decompensated HFpEF, over 5 years of follow‐up, nearly two‐thirds of patients died, half from CV and the other half from non‐CV causes. CAD and tricuspid regurgitation were associated with CV death. Stroke, kidney disease, lower BMI, and lower sodium were associated with non‐CV death. Anaemia and higher age were associated with both outcomes. [Correction added on 24 March 2023, after first online publication: In the first sentence of the Conclusions, ‘two‐thirds’ has been inserted before ‘of patients died...’ in this version.]
HeartMate 3 biventricular support exceeding 4.5 years
Authors: Gasparovic Hrvoje , Milicic Davor , Krželj Kristina , Paar Maja Hrabak , Kopjar Tomislav , Jakus Nina , Planinc Ivo , Cikes Maja 
Published: March 2023

AbstractA 47‐year old male with ischaemic cardiomyopathy was referred to us for durable left ventricular assist device placement. He was found to have prohibitively elevated pulmonary vascular resistance for heart transplantation. He underwent HeartMate 3 left ventricular assist device implantation, with additional temporary right ventricular assist device (RVAD) placement. Following a 2‐week period of unweanable temporary right ventricular support, the patient was switched to durable biventricular support with two Heartmate 3 pumps. The patient was placed on a transplant waiting list but was not offered a heart for over 4 years. While on Heartmate 3 biventricular support (BiVAD), he returned to full activity and enjoyed an excellent quality of life. He underwent laparoscopic cholecystectomy 7 months after the BIVAD implant. After 52 months of uneventful BiVAD support, he presented with a combination of adverse events that occurred over a short period. These included subarachnoidal haemorrhage and a new motor deficit, followed by RVAD infection and RVAD low‐flow alarms. After over 4 years of unimpeded RVAD flows, new imaging revealed an outflow graft twist with subsequent flow reduction. The patient underwent heart transplantation after a total of 1655 days of Heartmate 3 BiVAD support and continues to do well on latest follow‐up.
KI‐Mediated Chlorine Gas‐Free Synthesis of 3,3‐Dichloro‐2‐oxindole Derivatives
Authors: Li Xuejian , Wang Bangzhong , Li Dong , Zhao Jinfeng , Qu Jingping , Zhou Yuhan 
Published: March 2023

AbstractAn efficient and environmentally friendly methodology for 3,3‐dichlorination and 2‐oxidation of indole derivatives is described. Using KI as promotor, MCl (M=K, Na) as chlorine source, and oxone as oxidant, the reaction proceeds smoothly affording various functionalized 3,3‐dichloro‐2‐oxindoles in moderate to excellent yields. This strategy can also be extended to 3‐substituted indoles. With a broad substrate scope, it is a practical approach to 3,3‐disubstituted‐2‐oxindoles.
White Light/NIS‐Promoted Aminoselenylation of Alkenes by Using N‐Tosylhydrazones
Authors: Chen Xianlie , Zhao Ping , Zeng Qingle 
Published: March 2023

AbstractA white light/iodosuccinimide (NIS)‐promoted three component reaction of alkenes, N‐sulfonylhydrazones, and diorganyl diselenides for synthesis of organylselenylethyl sulfonylhydrazones under air is disclosed. This intermolecular aminoselenylation of alkenes using N‐tosylhydrazones as nitrogen source was performed under mild conditions and well tolerated for common groups. In addition, heteroaryl and aliphatic diselenides also gave the target compounds. Gram‐scale reaction also carried out smoothly. This protocol has a wide range of substrates and affords moderate to high yields and excellent regioselectivities. The photoactive intermediates from the interaction between NIS and diphenyl diselenide was detected by UV‐visible absorption spectra, which matches the wavelength of the applied white LED. A reasonable mechanism was proposed based on UV‐visible light experiments and control experiments.
Facile One‐Step Oxidation of N‐Boc‐Protected Diarylhydrazines to Diaryldiazenes with (Diacetoxyiodo)benzene under Mild Conditions
Authors: Orvoš Jakub , Pančík Filip , Fischer Róbert 
Published: March 2023

AbstractA study on the oxidation of N‐Boc‐ and N,N'‐bis‐Boc‐protected 1,2‐diarylhydrazines with (diacetoxyiodo)benzene is reported. The reactions proceed quickly in acetic acid at slightly elevated temperatures, giving diaryldiazenes in good to excellent yields. Electron‐donating and electron‐withdrawing groups are well tolerated. This synthetic protocol also applies to synthesising (aryldiazenyl)pyridines and unsymmetrical 1,3,5‐tris(arylazo)benzenes.
A dielectrophoresis‐based platform of cancerous cell capture using aptamer‐functionalized gold nanoparticles in a microfluidic channel
Authors: Vu‐Dinh Hien , Quang Loc Do , Lin Yi‐Ru , Jen Chun‐Ping 
Published: March 2023

AbstractIn this paper, a microfluidic chip for the manipulation and capture of cancer cells was introduced, in which the combination of dielectrophoresis (DEP) and a binding method based on chemical interactions by using cell‐specific aptamers was performed to enhance the capture strength and specificity. The device has been simply constructed from a straight‐channel PDMS placed on a glass substrate that has patterned electrode structures and a self‐assembled monolayer of gold nanoparticles (AuNPs). The target cells were transported to the manipulation area by flow and attracted down to the region between the electrodes under the influence of positive DEP force. This approach facilitated subsequent selective capture by the modified aptamers on the AuNPs. The distribution of the electric field in the channel has also been simulated to clarify the DEP operation. As a result, the device has been shown to effectively capture target lung cancer cells with a concentration as low as cells/mL. The capture specificity in a sample of mixed cells is up to 80.4%. This technique has the potential to be applied to detection methods for many types of cancer.
Knowledge and misconceptions about epilepsy among people with epilepsy and their caregivers attending mental health clinics: A qualitative study in Taenia solium endemic pig‐keeping communities in Tanzania
Authors: Makasi Charles E , Kilale Andrew M , Ngowi Bernard J , Lema Yakobo , Katiti Victor , Mahande Michael J , Msoka Elizabeth F. , Stelzle Dominik , Winkler Andrea S , Mmbaga Blandina T. 
Published: March 2023

AbstractObjectiveTaenia solium (T. solium) neurocysticercosis (NCC) affects the central nervous system and is associated with 30% of acquired epilepsy in some endemic areas. Epilepsy is a stigmatizing disease in many societies and people with epilepsy (PWE) and their families experience discrimination. This study aimed to explore the knowledge, perceptions, and experiences of epilepsy among PWE and their caregivers attending mental health clinics.MethodsIn T. solium endemic areas of Tanzania, PWE and their caregivers attending mental health clinics were identified and their informed consent was sought prior to study participation. In‐depth interviews were conducted in Swahili language and analyzed thematically. The coding was undertaken by two independent researchers using NVivo (Version 12, QSR International).ResultsThirty‐eight participants were interviewed. Three themes were identified during the analysis, namely, knowledge about epilepsy; perception of epilepsy; and experience with epilepsy among PWE and their caregivers. Participants commonly defined epilepsy as a “falling disease,” perceived to be caused by witchcraft, and were unaware of the association between T. solium and epilepsy. Stigmatization of epilepsy was reported as a problem. Reported treatment patterns after the initial onset of epilepsy varied widely; however, patients usually began treatment with traditional healing methods, and only later opted for biomedical treatment. Patients had generally poor adherence to antiseizure medication, which could be caused by inadequate knowledge or irregular supply.SignificanceLevel of knowledge about epilepsy was low, and NCC was not mentioned as a cause of epilepsy among participants. Epilepsy was generally perceived to be the result of witchcraft, evil spirits, or curses. Health education is needed, including an explanation of the model of T. solium transmission and the insistence on hygiene measures. This could reduce the number of new infections with T. solium, improve access to prompt biomedical treatment, and improve the lives of PWE.
Base‐isolation design of shear wall structures using physics‐rule‐co‐guided self‐supervised generative adversarial networks
Authors: Liao Wenjie , Wang Xinyu , Fei Yifan , Huang Yuli , Xie Linlin , Lu Xinzheng 
Published: March 2023

AbstractSeismic isolation can significantly improve the seismic resilience of buildings, resulting in a growing demand for seismic isolation designs. Meanwhile, the deep generative network‐based intelligent design can significantly increase scheme design efficiency. However, the performance of existing intelligent scheme designs is constrained by data quality and quantity. The limited availability of isolation design data hinders the development of intelligent seismic isolation design. Therefore, there is an emerging demand to establish an intelligent scheme design method that is free from data constraints and that can learn the physical mechanism and design rules. Consequently, this study proposes a physics‐rule‐co‐guided self‐supervised generative adversarial network (GAN) that can generate the layout and parameters of seismic isolation bearings by inputting the layout drawings of the shear wall structures. The critical physics‐rule‐co‐guided network model consists of a physics estimator, rule evaluator, discriminator, and design generator. The physics estimator is a deep neural network‐based surrogate model for predicting the mechanical response of an isolated structure, whereas the rule evaluator is a tensor operation‐based loss calculator that considers design rules. Furthermore, the proposed GAN model masters the schematic design ability of the seismic isolation of shear wall structures through multiphase hybrid learning of the pseudo‐labels, physical mechanism, and isolation design rules, obviating the need for ground‐truth data. Case studies also prove the rationality of the method, where the design results can effectively meet the code requirements and reduce the seismic response of the structure.
Hydro‐geomorphological and sedimentological processes along the major fluvial‐lacustrine delta of the Paraná River (Argentina): Their role in floodplain construction
Authors: Dominguez Ruben Lucas Gerardo , Szupiany Ricardo Nicolas , Ramonell Carlos , Ru Micaela , Garcia Marcelo Horacio 
Published: March 2023

AbstractRiver‐dominated sea deltas have been thoroughly studied by different authors. In these environments the interrelationships of the hydro‐sedimentological variables between river, tides, and waves, among others, are the main factors controlling the delta formation. However, few studies have focused on the deltaic processes in river–lagoon environments and even fewer in large river floodplains (defined here as a fluvial‐lacustrine delta, FLD) and their role in floodplain construction.This study provides a comprehensive and novel analysis approach combining satellite imagery treatment and aerial photographs with detailed field measurements of sediment samplers, cores, and acoustic techniques applied to quantify flow and discharge distribution along main, secondary, floodplain channels, and lagoon systems under different hydro‐sedimentological conditions. All data allow a full description of deltaic processes and the main variables that control the evolution of the major FLD located along the Middle Paraná River floodplain (Argentina). These results show: (i) pre‐existing local geology elements affect the deltaic processes; (ii) the hydro‐sedimentological behaviour of the main channel and its connection with the floodplain channels and independent basin systems affects the delta evolution; (iii) the dynamics (temporally and spatially) of sediment transport input and the interaction with lagoons produce different delta front bars planform and composition; (iv) periods of mean and high water levels play a key role in delta evolution; and (v) the rapid vegetation growth above the formed bars favours the sedimentation of fine material, producing permanent changes and leading to floodplain construction. Particularly, our findings suggest a complex interrelationship between the different factors in this particular environment, such as hydrology, local geology, main/secondary and floodplain channels, sediment supply, sediment transport modes, vegetation, and free surface slopes. All these factors act together in a complex manner, providing unique features to the FLD system that could help us better understand the floodplains construction in large river systems worldwide.
Airfoil inverse design based on laminar compressible adjoint lattice Boltzmann method
Authors: Jalali Khouzani H. , Kamali‐Moghadam R. 
Published: March 2023

AbstractA new optimization techniques based on the adjoint lattice Boltzmann method is derived for airfoil inverse design in laminar compressible flows. In this study, the developed adjoint lattice Boltzmann scheme based on the circular function (CF) is extended for airfoil inverse design problems in laminar incompressible and compressible flows. New mathematical derivation based on compressible lattice Boltzmann equations (LBE) is developed which can find target shape of an airfoil with available desired pressure distribution. The adjoint lattice Boltzmann method is extended for both the incompressible and compressible flows by selecting the circular function idea for calculating the equilibrium distribution functions. So, the adjoint equation is also expanded based on CF idea for calculation of objective function gradient vector. The steepest decent technique is utilized as gradient optimizer. Also, a novel solution is presented to remove singularity problem of the adjoint boundary condition. In order to validate the developed optimization algorithm, results are presented for both incompressible and compressible inverse problem in steady and unsteady flow and accurate results are obtained.