bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbon Nanospheres Loaded with Ir Single Atoms: Enhancing the Activity toward Formic Acid Oxidation by Increasing the Porosity
Authors: Jeskey Jacob , Ding Yong , Chen Yidan , Hood Zachary D. , Li Hongliang , Sterbinsky George E. , Xia Younan 
Published: May 2024

AbstractTheoretically, single‐atom catalysts (SACs) offer 100 % atom utilization, making them strong candidates to replace expensive nanoparticles for catalysis. However, the structural supports used to anchor the SACs dramatically reduce the utilization efficiency of atoms (i. e., the percent of atoms actually accessible by reactants) by either encapsulating the SACs completely or creating severe diffusion limitation. Either of which leads to an overall low atom utilization and thus poor electrocatalytic activity similar to that of nanoparticles. In addressing this issue, we systematically investigated how the porous structure of carbon nanospheres affects the activity of Ir‐SACs toward formic acid oxidation (FAO). Specifically, we utilized a kinetically‐controlled growth strategy to produce uniform carbon nanospheres featuring yolk‐shell, mesoporous, and hollow structures with Ir‐SACs loaded throughout the structure. At a high specific surface area of 441 m2 g−1 and exposed metal content of 1.82 wt %, the Ir‐SACs based on mesoporous carbon nanospheres showed a remarkable FAO peak current density of 30.6 mA cm−2, which was 283 and 46 times greater when benchmarked against the catalysts based on solid carbon nanospheres and 20 wt % Ir/C, respectively.
Enhanced Near‐infrared Phosphorescent Emission Modulated by Clipping of Metallotweezers in Aqueous Media
Authors: Luan Zilei , Wang Feng , Tian Yukui 
Published: May 2024

AbstractNear‐infrared phosphorescent materials have received significant attention due to their potential applications in bioimaging and diagnostics. Although, many types of organic phosphors with near‐infrared emission have been developed, the low phosphorescence efficiency in aqueous solution hampers their practical applications in biological systems. Hence, there is an urgent need to develop near‐infrared phosphorescent materials with high emission efficiency in aqueous media. Metallotweezers, based on d8 transition metal complexes, emerge as the potential candidates for realizing this objective. Specifically, metallotweezers, featuring two positively charged platinum(II) terpyridine and neutral gold(III) diphenylpyridine pincers on diphenylpyridine spacer, have been designed and synthesized, respectively. The pre‐organization effect, rendered by the rigid spacer, enables the resulting metallotweezers to complex with each other, resulting in the formation of clipping complex. The synergistic rigidifying and shielding effects of clipping structure results in enhanced phosphorescent emission intensity. Concurrently, due to phase segregation between the clipping units and the polyethylene glycol tail, the clipping complex undergoes self‐assembly in aqueous solution, resulting in phosphorescent emission in the near‐infrared region. Overall, non‐covalent clipping of metallotweezers illustrated in this study presents a new and effective approach toward near‐infrared phosphorescent materials.
Heterocycle‐ and Amine‐Free Electrochromic and Electrofluorochromic Molecules for Energy‐Saving See‐Through Smart Windows and Displays
Authors: Navya Panichiyil V. , Ganesan Krithika , Neyts Erik C , Sampath Srinivasan 
Published: May 2024

AbstractElectrochromic (EC) smart windows are an elegant alternative to dusty curtains, blinds, and traditional dimming devices. The EC energy storage smart windows and displays received remarkable attention in the optoelectronic industry as they hold promise for high energy efficiency, low power consumption, reversibility, and swift response to stimuli. However, achieving these properties remains challenging. Moreover, most EC molecules do not exhibit electrofluorochromism, which is highly essential for smart displays because its EC property can modulate the solar heat entering the building, and its electrofluorochromic (EFC) aspects can create lighting during the night. In this work, a structure‐property relationship is utilized to develop new electrochromes that can store the injected charge, and these molecules indeed exhibit electrofluorochromism. The compounds are synthesized from tetrabenzofluorene with two aromatic acceptor units, and avoids the use of widely studied heterocycles and amine derivatives. The electrochromes switches from yellow to dark hue in solution, solid, and gel state. The compounds display exceptional electrochemical stability and reversibility in 1000 cycles and capacity retention of 93–100 % in 300 charging‐discharging cycles. The proof‐of‐concept device fabrication of the self‐dimming EC smart window presented here demonstrates that it can furnish visual comfort, modulate transmitted light and glare, and reduce energy usage.
Enantioselective high‐performance liquid chromatography combined with spectroscopic methods and theoretical calculations: A valid strategy to determine the absolute configuration of eugenol derivatives
Authors: Manetto Simone , Mazzoccanti Giulia , Pulitelli Gaia , Niccolai Sofia , Tanini Damiano , Pierini Marco , Cirilli Roberto 
Published: May 2024

AbstractThe absolute configuration of three chiral eugenol derivatives was assigned by a multi‐step methodology based on enantioselective HPLC combined with spectroscopic and theoretical calculations. Milligram amounts of enantiopure forms used for stereochemical characterization were isolated by HPLC on the immobilized amylose‐based chiral stationary phase Chiralpak IG using normal phase elution conditions. The absolute configuration was indirectly determined for one of the three compounds by 1H NMR via methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid derivatization (Mosher's acid). Comparison of the experimental and predicted electronic circular dichroism spectra confirmed the stereochemical assignment by Mosher's method and extended the absolute configuration assignment to two other chiral compounds.
Understanding two‐phase flow behaviour: CFD Assessment of silicone oil–air and water–air in an intermediate vertical pipe
Authors: Mondal Prantik , Lahiri Sandip Kumar , Ghanta Kartik Chandra 
Published: May 2024

AbstractThe study utilized computational fluid dynamics (CFD) simulations employing the volume of fluid (VOF) model to analyze silicone oil–air flows in a vertical pipe with a diameter of 67 mm. Various structured meshes ensured grid independence, and the k‐ε realizable model addressed turbulence. The analysis characterized bubbly to annular flows, involving the evaluation of flow patterns, radial void fractions, void fraction time series, probability density functions (PDFs), power spectral densities (PSDs), and mean void fractions. Results indicated a transition from bubbly to annular flow with increasing gas velocities and notable changes in radial void fraction profiles. Void fraction exhibited significant variations with distinct flow patterns at constant liquid velocity. PDFs identified flow regimes, and PSDs revealed frequency patterns. CFD results were validated against experiments, demonstrating good agreement. The validated CFD model was utilized to investigate radial gas velocities and pressure drops, revealing a shift from uniform velocity distributions to irregular patterns and a decrease in total pressure drop with an increase in gas superficial velocity. The model was also applied to a water‐air system to explore two‐phase flow behaviour. The impact of superficial gas velocity on flow patterns and radial void fractions was studied through numerical analysis and compared with the silicone oil‐air system. Results showed that at extreme gas velocities (0.06 and 5.53 m/s), silicone oil exhibited bubbly and annular flows, while water displayed cap bubbly and churn flows. The significant variation in radial void fraction at these velocities emphasized the impact of fluid properties.
Foraging ants affect community composition and diversity of phyllosphere fungi on a myrmecophilous plants, Mallotus japonicus
Authors: Mizuno Takafumi , Sato Hirotoshi , Itioka Takao 
Published: May 2024

AbstractMany microorganisms inhabit the aboveground parts of plants (i.e. the phyllosphere), which mainly comprise leaves. Understanding the structure of phyllosphere microbial communities and their drivers is important because they influence host plant fitness and ecosystem functions. Despite the high prevalence of ant–plant associations, few studies have used quantitative community data to investigate the effects of ants on phyllosphere microbial communities. In the present study, we investigated the effects of ants on the phyllosphere fungal communities of Mallotus japonicus using high‐throughput sequencing. Mallotus japonicus is a myrmecophilous plants that bears extrafloral nectaries, attracting several ant species, but does not provide specific ant species with nest sites like myrmecophytes do. We experimentally excluded ants with sticky resins from the target plants and collected leaf discs to extract fungal DNA. The ribosomal DNA internal transcribed spacer 1 (ITS1) regions of the phyllosphere fungi were amplified and sequenced to obtain fungal community data. Our results showed that the exclusion of ants changed the phyllosphere fungal community composition; however, the effect of ants on OTU richness was not clear. These results indicate that ants can change the community of phyllosphere fungi, even if the plant is not a myrmecophyte.
Spawning fish maintains trophic synchrony across time and space beyond thermal drivers
Authors: Opdal Anders Frugård , Wright Peter J. , Blom Geir , Höffle Hannes , Lindemann Christian , Kjesbu Olav Sigurd 
Published: May 2024

AbstractIncreasing ocean temperature will speed up physiological rates of ectotherms. In fish, this is suggested to cause earlier spawning due to faster oocyte growth rates. Over time, this could cause spawning time to become decoupled from the timing of offspring food resources, a phenomenon referred to as trophic asynchrony. We used biological data, including body length, age, and gonad developmental stages collected from >125,000 individual Northeast Arctic cod (Gadus morhua) sampled between 59 and 73° N in 1980–2019. Combined with experimental data on oocyte growth rates, our analyses show that cod spawned progressively earlier by about a week per decade, partly due to ocean warming. It also appears that spawning time varied by more than 40 days, depending on year and spawning location. The significant plasticity in spawning time seems to be fine‐tuned to the local phytoplankton spring bloom phenology. This ability to partly overcome thermal drivers and thus modulate spawning time could allow individuals to maximize fitness by closely tracking local environmental conditions important for offspring survival. Our finding highlights a new dimension for trophic match–mismatch and should be an important consideration in models used to predict phenology dynamics in a warmer climate.
Contemporary guideline‐directed medical therapy in de novo, chronic, and worsening heart failure patients: First data from the TITRATE‐HF study
Authors: Malgie Jishnu , Wilde Mariëlle I. , Clephas Pascal R.D. , Emans Mireille E. , Koudstaal Stefan , Schaap Jeroen , Mosterd Arend , van Ramshorst Jan , Wardeh Alexander J. , van Wijk Sandra , van den Heuvel Mieke , Wierda Eric , Borleffs C. Jan Willem , Saraber Colette , Beeres Saskia L.M.A. , van Kimmenade Roland , Jansen Klomp Wouter , Denham Robert , da Fonseca Carlos A. , Klip IJsbrand T. , Manintveld Olivier C. , van der Boon Robert M.A. , van Ofwegen Clara E.E. , Yilmaz Ayten , Pisters Ron , Linssen Gerard C.M. , Faber Nikola , van Heerebeek Loek , van de Swaluw Julio E.C. , Bouhuijzen Lex J. , Post Marco C. , Kuijper Aaf F.M. , Wu Ka wai , van Beek Eugène A. , Hesselink Tim , Kleijn Lennaert , Kurvers Maurice J.M. , Tio René A. , Langerveld Jorina , van Dalen Bas M. , van Eck J.W. Martijn , Handoko M. Louis , Hermans Walter R.M. , Koornstra‐Wortel Hetty J.J. , Szymanski Mariusz K. , Rooker Dennis , Tandjung Kenneth , Eijsbouts Sabine C.M. , Asselbergs Folkert W. , van der Meer Peter , Brunner‐La Rocca Hans‐Peter , de Boer Rudolf A. , Brugts Jasper J. 
Published: May 2024

AbstractAimsDespite clear guideline recommendations for initiating four drug classes in all patients with heart failure (HF) with reduced ejection fraction (HFrEF) and the availability of rapid titration schemes, information on real‐world implementation lags behind. Closely following the 2021 ESC HF guidelines and 2023 focused update, the TITRATE‐HF study started to prospectively investigate the use, sequencing, and titration of guideline‐directed medical therapy (GDMT) in HF patients, including the identification of implementation barriers.Methods and resultsTITRATE‐HF is an ongoing long‐term HF registry conducted in the Netherlands. Overall, 4288 patients from 48 hospitals were included. Among these patients, 1732 presented with de novo, 2240 with chronic, and 316 with worsening HF. The median age was 71 years (interquartile range [IQR] 63–78), 29% were female, and median ejection fraction was 35% (IQR 25–40). In total, 44% of chronic and worsening HFrEF patients were prescribed quadruple therapy. However, only 1% of HFrEF patients achieved target dose for all drug classes. In addition, quadruple therapy was more often prescribed to patients treated in a dedicated HF outpatient clinic as compared to a general cardiology outpatient clinic. In each GDMT drug class, 19% to 36% of non‐use in HFrEF patients was related to side‐effects, intolerances, or contraindications. In the de novo HF cohort, 49% of patients already used one or more GDMT drug classes for other indications than HF.ConclusionThis first analysis of the TITRATE‐HF study reports relatively high use of GDMT in a contemporary HF cohort, while still showing room for improvement regarding quadruple therapy. Importantly, the use and dose of GDMT were suboptimal, with the reasons often remaining unclear. This underscores the urgency for further optimization of GDMT and implementation strategies within HF management.
Effects of Heavy p‐Block Elements on Photophysical Properties of π‐Conjugated Complexes and Organoelement Compounds
Authors: Ito Shunichiro , Gon Masayuki , Tanaka Kazuo 
Published: May 2024

Abstractπ‐Conjugated compounds exhibit remarkable photophysical properties, such as strong light absorption and emission, and are applicable to organic devices, bioimaging, and sensing systems. The introduction of p‐block elements into π‐conjugated systems is presumable as a critical strategy for modulating their properties. Nevertheless, the type of utilized elements has been limited to the second and third‐period ones because it is difficult to construct critical electronic interactions between heavier atoms and carbon‐based π‐conjugated scaffolds. On the other hand, it has been recently suggested that the heavier p‐block elements are able to induce significant changes in the optoelectronic properties of π‐conjugated systems thanks to their large size, high polarizability, and heavy atom effect. Although there are much room to explore effects of heavy‐atom substitution on physical and electronic properties of conjugated systems, various characters have been discovered. Hence, this review mainly focuses on the relationships between the types of p‐block elements and the optical properties of their representative complexes and organoelement compounds, particularly light absorption and emission.
Coconut Husk Waste‐Derived Nitrogen‐Doped Mesoporous Carbon Nanomaterial as an Efficient and Sustainable Supercapacitor
Authors: Sharma Ritika , Rana Dharmender Singh , Kumar Sachin , Singh Rajesh Kumar , Thakur Sourbh , Singh Dilbag 
Published: May 2024

Sustainability and waste management are equally important in the era of growing energy demands. This study focuses on integrating strategies that balance energy efficiency, reduce waste generation, and promote sustainable practices. The coconut husk is processed and converted into mesoporous carbon nanomaterial through hydrothermal‐assisted thermal annealing. Nitrogen is doped through melamine to increase reactive sites and hence the catalytic activity. The sphere‐like morphology was confirmed by field emission scanning electron microscope and high‐resolution transmission electron microscope images indicate a carbon dot‐like structure. The high Brunauer‐Emmett‐Teller surface area achieved for this nanostructure is 1383.40 m2 g−1, with pore width and volume at 2.2660 nm and 0.2995 cm3 g−1, respectively. The as‐synthesized nanostructure is explored for its electrochemical performance as electrodes for the supercapacitor application, where materials achieve a wide potential window (−1.4 to 1.4 V) in the minimum time of 50 s at the current density of 0.6 A g−1. Moreover, the highest specific capacitance obtained from the nanomaterial is 115.39 F g−1 in the potential window and current density of 2 V and 0.6 A g−1, respectively. The energy density, power density, and coulombic efficiency at the set parameter are 62.31 Wh Kg−1, 1166.4 W Kg−1, and 79.61%, respectively. Finally, the practical device is assembled with the nanomaterial, where a red LED bulb glows after 1 min of charging.
VedgeSat: An automated, open‐source toolkit for coastal change monitoring using satellite‐derived vegetation edges
Authors: Muir Freya M. E. , Hurst Martin D. , Richardson‐Foulger Luke , Rennie Alistair F. , Naylor Larissa A. 
Published: May 2024

AbstractPublic satellite platforms offer regular observations for global coastal monitoring and climate change risk management strategies. Unfortunately, shoreline positions derived from satellite imagery, representing changes in intertidal topography, are noisy and subject to tidal bias that requires correction. The seaward‐most vegetation boundary reflects a change indicator which shifts on event–decadal timescales, and informs coastal practitioners of storm damage, sediment availability and coastal landform health. We present and validate a new open‐source tool VedgeSat for identifying vegetation edges (VEs) from high (3 m) and moderate (10–30 m) resolution satellite imagery. The methodology is based on the CoastSat toolkit, with streamlined image processing using cloud‐based data management via Google Earth Engine. Images are classified using a newly trained vegetation‐specific neural network, and VEs are extracted at subpixel level using dynamic Weighted Peaks thresholding. We performed validation against ground surveys and manual digitisation of aerial imagery across eroding and accreting open coasts and estuarine environments at a site in Scotland. Smaller‐than‐pixel vegetation boundary detection was achieved across 83% of Sentinel‐2 imagery (Root Mean Square Error of 9.3 m). An overall RMSE of 19.0 m was achieved across Landsat 5 & 8, Sentinel‐2 and PlanetScope images. Performance varied by coastal geomorphology, with highest accuracies across sandy open coasts owing to high spectral contrast and less false positives from intertidal vegetation. The VedgeSat tool can be readily applied in tandem with waterlines near‐globally, to support adaptation decisions with historic coastal trends across the whole shoreface, even in normally data‐scarce areas.
Enhancement of two‐dimensional hydrodynamic modelling based on UAV‐ flow velocity data
Authors: Wolff Franziska , Lotsari Eliisa , Spieler Diana , Elias Melanie , Eltner Anette 
Published: May 2024

Abstract2D hydrodynamic models deepen the understanding of hydromorphological processes in fluvial systems. UAV (Unoccupied Aerial Vehicles) can record complementary calibration and validation data for these models of large areas. In this study, we created a 2D hydrodynamic model of the Pulmanki River in Northern Finland under shallow, open‐channel conditions based on three calibration sets. We examined the potential of UAV‐flow velocities for model validation. Here, we applied a cross‐validation approach comprising the conversion from surface to depth‐averaged velocity and vice versa using fixed velocity coefficients (α). We further assessed the conversion performance including hydraulic variables to evaluate this coupled numerical‐experimental concept. Our model showed good performance in the three calibration runs for water level and depth‐averaged velocity. The calculation of surface to depth‐averaged velocity identified the coefficient α = 0.8 as the best choice with R2 = 0.62 for the straight river reach, indicating a good agreement between converted velocity and the reference data. A poor agreement, however, is evident for the meander section with R2 = 0.406. While there were no statistically significant relationships between the conversion performance and hydraulic variables, there were observable trends in the residuals indicating over‐ and underestimation of converted velocities, particularly in relation to bathymetry and distance to the channel centre, with variations based on the river structure. Our study demonstrates that UAV reference data has the potential to enhance 2D hydrodynamic models but particularly improves our understanding of spatial flow distribution.
Crafting high‐performance polymer‐integrated solid electrolyte for solid state sodium ion batteries
Authors: Kannadasan Mahalakshmi , Sathiasivan Kiruthika , Balakrishnan Muthukumaran , Subramanian Balaji , Varuvel Edwin Geo 
Published: May 2024

AbstractThe development of modern solid‐state batteries with high energy density has provided the reliable and durable solution needed for over‐the‐air network connectivity devices. In this study, a NASICON‐type Na3Zr2Si2PO12 (NZSP) ceramic filler was prepared using the sol‐gel method and then a polymer‐integrated solid electrolyte consisting of polyethylene oxide (PEO), NZSP, and sodium perborate (SPB) was prepared by Stokes' solution casting process. Through physico‐chemical and electrochemical characterization techniques, the morphology, electrochemical, and thermal properties of the prepared solid electrolyte sample were carefully studied. The PEO/NZSP/SPB electrolyte developed for all‐solid‐state sodium‐ion batteries (ASSSBs) exhibited a strong ionic conductivity, a large window for electrochemical stability, and was effective in controlling the growth of sodium dendrites. Furthermore, the polymer‐integrated solid electrolyte showed impressive rate capability, high discharge capacity (73.2 mAh g−1) at 0.1 mA cm−2, and good faradaic efficiency (98%) even after 100 cycles. These results reveal that the PEO/NZSP/SPB electrolyte is a potential and inevitable candidate for the evolution of high‐performance rechargeable ASSSBs.
Evaluation of exterior wall cavity fires using an intermediate scale test method
Authors: Weerakkody Neythra , White Nathan , Moinuddin Khalid 
Published: May 2024

AbstractCavities form an integral part of many external wall systems (EWSs). Numerous external wall fires worldwide have been primarily due to combustible exterior cladding. However, the Grenfell Tower and Knowsley Heights fire incidents (in the UK) are examples where wall cavity materials have impacted fire spread. Wall cavity materials are typically regulated by small‐scale fire test methods which do not necessarily represent the actual fire conditions that can exist within wall cavities. This experimental study proposes an intermediate‐scale test (IST) protocol to examine cavity wall fire behaviour. This protocol is a modified version of the FM Global Cavity Fire Test method (within the FM 4411‐2020 series). The study examines a broad range of cavity materials including sarking, polyester insulation, phenolic foam, PIR, and EPS. A low‐intensity (6–8 kW) and high‐intensity (~80 kW) ignition sources were used to represent two types of cavity fire scenarios. These two fire sizes were shown to differentiate reaction to fire behaviour between these materials and explore the “tipping point” in resulting fire behaviour (which may lie between these two intensities). This proposed cavity fire test protocol provides a suitable “elevated fire risk assessment tool” for combustible cavity materials.