bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rainfall Impacts Dissolved Organic Matter and Cation Export From Permafrost Catchments and a Glacial River During Late Summer in Northeast Greenland
Authors: Fouché Julien , Hirst Catherine , Bonneville Steeve , Opfergelt Sophie , Haghipour Negar , Eglinton Timothy I. , Vonk Jorien E. , Bröder Lisa 
Published: September 2024

ABSTRACTOngoing and amplified climate change in the Arctic is leading to glacier retreat and to the exposure of an ever‐larger portion of non‐glaciated permafrost‐dominated landscapes. Warming will also cause more precipitation to fall as rain, further enhancing the thaw of previously frozen ground. Yet, the impact of those perturbations on the geochemistry of Arctic rivers remains a subject of debate. Here, we determined the geochemical composition of waters from various contrasting non‐glacial permafrost catchments and investigated their impact on a glacially dominated river, the Zackenberg River (Northeast Greenland), during late summer (August 2019). We also studied the effect of rainfall on the geochemistry of the Zackenberg River, its non‐glacial tributaries, and a nearby independent non‐glacial headwater stream Grænse. We analyzed water properties, quantified and characterized dissolved organic matter (DOM) using absorbance and fluorescence spectroscopy and radiocarbon isotopes, and set this alongside analyses of the major cations (Ca, Mg, Na, and K), dissolved silicon (Si), and germanium/silicon ratios (Ge/Si). The glacier‐fed Zackenberg River contained low concentrations of major cations, dissolved Si and dissolved organic carbon (DOC), and a Ge/Si ratio typical of bulk rock. Glacial DOM was enriched in protein‐like fluorescent DOM and displayed relatively depleted radiocarbon values (i.e., old DOM). Non‐glacial streams (i.e., tributaries and Grænse) had higher concentrations of major cations and DOC and DOM enriched in aromatic compounds. They showed a wide range of values for radiocarbon, Si and Ge/Si ratios associated with variable contributions of surface runoff relative to deep active layer leaching. Before the rain event, Zackenberg tributaries did not contribute notably to the solute export of the Zackenberg River, and supra‐permafrost ground waters governed the supply of solutes in Zackenberg tributaries and Grænse stream. After the rain event, surface runoff modified the composition of Grænse stream, and non‐glacial tributaries strongly increased their contribution to the Zackenberg River solute export. Our results show that summer rainfall events provide an additional source of DOM and Si‐rich waters from permafrost‐underlain catchments to the discharge of glacially dominated rivers. This suggests that the magnitude and composition of solute exports from Arctic rivers are modulated by permafrost thaw and summer rain events. This event‐driven solute supply will likely impact the carbon cycle in rivers, estuaries, and oceans and should be included into future predictions of carbon balance in these vulnerable Arctic systems.
Structural and Biochemical Characterization of Aminoglycoside Nucleotidyltransferase(6)‐Ib From Campylobacter fetus subsp. fetus
Authors: Nalam Pranav , Cook Paul D. , Smith Brian A. 
Published: September 2024

ABSTRACTAminoglycoside antibiotics have played a critical role in the treatment of both Gram‐negative and Gram‐positive bacterial infections. However, antibiotic resistance has severely compromised the efficacy of aminoglycosides. A leading cause of aminoglycoside resistance is mediated by bacterial enzymes that inactivate these drugs via chemical modification. Aminoglycoside nucleotidyltransferase‐6 (ANT(6)) enzymes inactivate streptomycin by transferring an adenyl group from ATP to position 6 on the antibiotic. Despite the clinical significance of this activity, ANT(6) enzymes remain relatively uncharacterized. Here, we report the first high resolution x‐ray crystallographic structure of ANT(6)‐Ib from Campylobacter fetus subsp. fetus bound with streptomycin. Structural modeling and gel filtration chromatography experiments suggest that the enzyme exists as a dimer in which both subunits contribute to the active site. Moreover, superposition of the ANT(6)‐Ib structure with the structurally related enzyme lincosamide nucleotidyltransferase B (LinB) permitted the identification of a putative nucleotide binding site. These data also suggest that residues D44 and D46 coordinate essential divalent metal ions and D102 functions as the catalytic base.
Drivers of the ECMWF SEAS5 seasonal forecast for the hot and dry European summer of 2022
Authors: Patterson Matthew , Befort Daniel J. , O'Reilly Christopher H. , Weisheimer Antje 
Published: September 2024

AbstractThe European summer (June–August) 2022 was characterised by warm and dry anomalies across much of the continent, likely influenced by a northward‐shifted jet stream. These general features were well predicted by European Centre for Medium‐Range Weather Forecasts' system 5 seasonal forecast, initialised on May 1. Such successful predictions for European summers are relatively uncommon, particularly for atmospheric circulation. In this study, a set of hindcast experiments is employed to investigate the role that initialisation of the ocean, atmosphere, and land surface played in the 2022 forecast. We find that the trend from external forcing was the strongest contributor to the forecast near‐surface temperature anomalies, with atmospheric circulation and land‐surface interactions playing a secondary role. On the other hand, atmospheric circulation made a strong contribution to precipitation anomalies. Modelled Euro‐Atlantic circulation anomalies in 2022 were consistent with a La Niña‐forced teleconnection from the tropical Pacific. However, a northward jet trend in the model hindcasts with increasing greenhouse gas concentrations also contributed to the predicted circulation anomalies in 2022. In contrast, the observed linear trend in the jet over the past four decades was a southward shift, though it is unclear whether this trend was driven by external forcings or natural variability. Nevertheless, this case study demonstrates that important features of at least some European summers are predictable at the seasonal time‐scale.
Beyond environmental sustainability: Low‐carbon land use policies can contribute to the realization of comprehensive sustainable development
Authors: Liu Ke , Cheng Peng , Zhang Anlu , Qin Sixian , Zhang Xue 
Published: September 2024

AbstractIn the context of climate change and sustainable development, there has been numerous researches studying the influence of land use policies on carbon sequestration. However, most of them focus on specific experimental area to explore the impact of land use policies on carbon fixation, or their impacts on a certain aspect, lacking the comprehensive explanation of both the internal influence mechanism and external effects. Therefore, this article presents a comprehensive review and the results show that scientific land use policies have the capacity of increasing net carbon sinks and soil organic carbon to realize environmental sustainability. In addition, these low‐carbon land use policies can not only bring out this climate change mitigation influence, but also have external effects on cities sustainable development, food security, ecological protection, and economic disparities to promote comprehensive sustainable development. However, if these policies fail to adapt to local natural and socio‐economic conditions, or overlook the potential negative impacts they could pose, these policies cannot facilitate the achievement of comprehensive sustainable development and could even impede this progress.
Incorporation of Silver Nanoparticles for Improvement of Antibacterial and Fruit Preservation Properties of Pectin/Carboxymethyl Cellulose Packaging Film Derived from Grapefruit Peels
Authors: Do Nguyen Hanh , Pham Ha Minh , Pham Hien Thanh , Vuong Oanh Thi Kim , Dao An Thi Thuy , Vu Ngoc Thi Bich , Ngo Thu Hong Anh 
Published: September 2024

AbstractThe study focuses on enhancing the antibacterial properties of packaging films derived from Pectin and Carboxymethyl Cellulose (CMC) by incorporating silver nanoparticles (AgNPs). Pectin and CMC were sourced from grapefruit peels to utilize agricultural by‐products and introduce sustainable alternatives to petroleum‐based packaging films. A comprehensive characterization of the films was conducted to assess their morphology, functionality, and physical/mechanical attributes. The Pectin/CMC/AgNPs composite exhibits superior mechanical properties, achieving a peak tensile strength of 33.01 MPa and an elongation at a break of 22.93 %. The antibacterial efficacy against Escherichia coli (E. coli) and the Bacillus subtilis (B. subtilis) strains of Pectin/CMC and Pectin/CMC/AgNPs films was examined. In addition, the preservation efficacy of green grapes using those films was evaluated over 10 days, focusing on maintaining grape weight, organic acid, and vitamin C content. Results demonstrate that all films possess notable mechanical durability, with the Pectin/CMC/AgNPs film demonstrating superior antibacterial activity. Green grapes preserved with the Pectin/CMC/AgNPs film exhibit the highest fruit weight retention, and the highest maintenance in acid, and vitamin C content, underscoring the remarkable enhancement achieved by incorporating AgNPs.
One‐Pot Carbothermal Reduction Preparation of Cu‐BTC@Cu/C Heterostructure for Enhanced Nonenzymatic Electrochemical Glucose Sensing
Authors: Yao Niu , Liang Kai , Hou Xinghui , Yuan Huiyu , Cui Junyan , Jia Quanli 
Published: September 2024

AbstractA heterostructure based on MOFs with a small lattice mismatch is ideal for improving glucose‘s electrochemical sensing performance. Herein, a novel one‐pot carbothermal reduction technique to prepare Cu‐BTC@Cu/C heterostructure with intimate interfacial contact and high yield was developed, by in situ integrating Cu‐BTC (Cu3(BTC)2 ⋅ 3H2O) and its derived Cu/C nanocomposites. Structure characterizations demonstrated that Cu‐BTC@Cu/C heterostructure shows a synergistic effect in the combination of these two components, with more electrochemical active sites and lower resistance. Compared with each individual component, Cu‐BTC@Cu/C heterostructure exhibits better glucose electrooxidation performance. Under optimal condition, an extremely sensitive nonenzymatic glucose sensor with a low detection limit of 6.78 μM, sensitivity of 911.03 μA mM−1 cm−2, linear range of 0.001–2.0 mM, and anti‐interference performance is presented. Meanwhile, the newly constructed sensor was effectively employed for detecting glucose in honey sample with perfect recoveries, showing its great potential toward glucose monitoring in real sample. In addition, it has been demonstrated Cu(II) can be induced into Cu(I) by glucose in solution, while Cu(I) could be electrochemically converted to Cu(II), therefore achieving a Cu(I)/Cu(II) redox cycle. It offers a promising strategy for synthesis of advanced electrocatalysts with high efficiency and promising applications in this paper.
Green synthesized Waste‐Derived Anatase form of TiO2 Nanoparticles from Hordeum vulgare L. (Barley): A Multidisciplinary Approach Connecting Biology, Environment, and Agriculture
Authors: Chakraborty Shreya , V Devi Rajeswari 
Published: September 2024

AbstractBiological methods for creating nanoparticles utilizing plant‐based extracts have generated considerable interest due to their desirable ecological characteristics when compared to chemical methods. In this, TiO2 NPs were synthesized from the waste of the Hordeum vulgare L. We employed various methods for characterizing our sample, including Ultraviolet‐visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction, Scanning electron microscopy, Energy dispersive X‐ray spectroscopy, thermogravimetric analysis, AFM, Dynamic light scattering and Zeta‐potential to confirm the TiO2 NPs (Titanium dioxide Nanoparticles) synthesis followed by biological applications such as anti‐microbial, and anti‐oxidant assays to confirm TiO2 NPs biological properties. The photocatalytic activity of the TiO2 nanoparticles was also studied followed by a full factorial method to understand the consequences of time, pH, and concentration on the dye degradation. Apart from this, the synthesized nanoparticles were also used to check the agricultural efficacy on Phaseolus vulgaris plant seed, where it was seen that the TiO2 nanoparticles not only enhanced the growth of the plant at lower concentrations but also enhanced the photosynthetic activity and chlorophyll, phenol and flavonoid content of it when compared to higher concentration and control. The molecular aspects (DNA) were also analyzed by gel electrophoresis to check the effect of TiO2 nanoparticles on the DNA of plants at different concentrations. Our study focuses on making the best use of the waste of Hordeum vulgare L. to synthesize biogenic TiO2 nanoparticles that can prove themselves to be one of the significant options for the industrial, agricultural, and biological world.
Switch from The Traditional RPLC Method to the Green RPLC Methods in The Determination of The Ionization Constant (pKa) of Favipiravir
Authors: Daldal Y. Doğan 
Published: September 2024

AbstractIn this study, the ionization constant (pKa) of favipiravir was determined using both green and the traditional RPLC methods. To determine these values, acetonitrile‐water and methanol‐water mixtures were used in the traditional RPLC methods, while ethanol‐water and micellar solvent‐free mixtures were used in the green RPLC methods. The pKa value of favipiravir was calculated by evaluating the chromatographic data obtained in the investigated hydro‐organic and micellar solvent‐free mixtures using two different calculation methods. In the determination of their pKa values in water
from the pKa values
of the investigated compounds determined in hydro‐organic mixtures, the relationship between some macroscopic values of acetonitrile, methanol, ethanol and the
values was used, while the
values of the compounds could be determined directly in micellar solvent‐free mobile phases. It was found that the directly and indirectly calculated
values were quite compatible with each other. Using the
value calculated for favipiravir, the ionization percentages at different pH values (1–12) were calculated by the Henderson‐Hasselbalch equation. The environmental impact of the RPLC methods used in this study was assessed using the Green Metrics tools GAPI and AGREE.
Synthesis of Flavonoid/Sulfonamide Hybrid Molecules as Potential Inhibitors of Cholinesterases: In Vitro, Molecular Docking, Molecular Dynamic and DFT Studies
Authors: Oztekin Aykut , Stellenboom Nashia 
Published: September 2024

AbstractAcetylcholinesterase (AChE) and butyrylcholinesterase (BChE) belong to the serine hydrolase enzyme family and has been implicated to have a crucial role in the pathogenesis of Alzheimer's disease (AD). Generally, treatment strategies for AD has focused on the development of inhibitors of these enzymes. In light of this, a series of novel N‐(4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide compounds were synthesized and their inhibition potentials on AChE and BChE were investigated. The results of the inhibition assay revealed that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide was the most active inhibitor for AChE and BChE with Ki values of 4.2 nM and 0.15 μM, respectively. Compared to the standard drug rivastigmine all the synthesized compounds showed better AChE inhibition properties, while the BChE inhibition was comparable to the drug. The results indicate that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide can be considered for further drug design studies and thus DFT analyses were conducted to clarify the electronic structures of the compound while molecular docking was performed to determine the binding affinities of the compound to target proteins. Lastly, molecular dynamics (MD) simulations were conducted to assess the time‐dependent behavioral changes of the complexes.
Molybdenum‐Promoted Synthesis of Benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐ones via Nitro Reduction and Ring Expansion
Authors: Zhao Ran , Meng Zerui , Meng Xiaoru , Huang Xinrui , Meng Xiangwei , Xie Caixia 
Published: September 2024

AbstractA simple and efficient method to construct benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐one skeleton was reported. A powerful functional group transformation strategy of −NO2 transformed into −NH2 was involved in this method. Only Mo(CO)6 was used in the reaction, which acted as both reductant and cyclization accelerator. And a series of benzo[4,5]imidazo[1,2‐c]quinazolin‐6(5H)‐one derivatives were obtained.
Optimizing Reversible Exsolution and Phase Transformation in Double Perovskite Sr2Fe1.5‐xCoxMo0.5O6‐δ Electrodes for High‐Performance Symmetric Solid Oxide Cells
Authors: Jeon Hyejin , Kim Yo Han , Kim Hyeonggeun , Jeong Hyeongwon , Won Bo‐Ram , Jang Wonjun , Park Chan‐ho , Lee Kang Taek , Myung Jae‐ha 
Published: September 2024

AbstractDouble perovskite (DP) oxides are promising electrode materials for symmetric solid oxide cells (SSOCs) due to their excellent electrochemical activity and stability. B‐site cation doping in DP oxides affects the reversibility of phase transformation and exsolution, which plays a crucial role in the catalyst recovery. Yet, few studies have been conducted on this topic. In this study, the Sr2Fe1.5‐xCoxMo0.5O6‐δ (CSFM, x = 0, 0.1, 0.3, 0.5) DP system demonstrates modulated exsolution and phase transformation reversibility by manipulating the oxygen vacancy concentration. The correlation between Co‐doping level and oxygen vacancy concentration is investigated to optimize the exsolution and phase transformation properties. Sr2Fe1.2Co0.3Mo0.5O6‐δ (3CSFM) exhibits reversible transformation between DP and Ruddlesden–Popper phases with a high density of exsolved CoFe nanoparticles under redox atmospheres. The quasi‐symmetric cell with 3CSFM shows a peak power density of 1.27 W cm−2 at 850 °C in H2 fuel cell mode and a current density of 2.33 A cm−2 at 1.6 V and 800 °C in H2O electrolysis mode. The 3CSFM electrode exhibits robust stability during continuous operation for ≈700 h. These results demonstrate the significant role of B‐site doping in designing DP materials capable of dynamic phase transformation in diverse environments.
Cathode‐Electrolyte Interphase Engineering toward Fast‐Charging LiFePO4 Cathodes by Flash Carbon Coating
Authors: Chen Jinhang , Onah Obinna E. , Cheng Yi , Silva Karla J. , Choi Chi Hun (Will) , Chen Weiyin , Xu Shichen , Eddy Lucas , Han Yimo , Yakobson Boris I. , Zhao Yufeng , Tour James M. 
Published: September 2024

AbstractLithium iron phosphate (LiFePO4, LFP) batteries are widely used in electric vehicles and energy storage systems due to their excellent cycling stability, affordability and safety. However, the rate performance of LFP remains limited due to its low intrinsic electronic and ionic conductivities. In this work, an ex situ flash carbon coating method is developed to enhance the interfacial properties for fast charging. A continuous, amorphous carbon layer is achieved by rapidly decomposing the precursors and depositing carbon species in a confined space within 10 s. Simultaneously, different heteroatoms can be introduced into the surface carbon matrix, which regulates the irregular growth of cathode‐electrolyte interphase (CEI) and selectively facilitates the inorganic region formation. The inorganic‐rich, hybrid conductive CEI not only promotes electron and ion transport but also restricts parasitic side reactions. Consequently, LFP cathodes with fluorinated carbon coatings exhibited the highest capacity of 151 mAh g−1 at 0.2 C and 96 mAh g−1 at 10 C, indicating their excellent rate capability over commercial LFP (58 mAh g−1 at 10 C). This solvent‐free, versatile surface modification is shown for other electrode materials, providing an efficient platform for electrode‐electrolyte interphase engineering through a surface post‐treatment.
SnS2 Nanoparticles Embedded in BiVO4 Surfaces via Eutectic Decomposition for Enhanced Performance in Photoelectrochemical Water Splitting
Authors: Chaudhary Surekha , Hassan Mostafa Afifi , Kim Myeong‐Jin , Jung Wan‐Gil , Ha Jun‐Seok , Moon Won‐Jin , Ryu Sang‐Wan , Kim Bong‐Joong 
Published: September 2024

AbstractBiVO4 has garnered substantial interest as a promising photoanode material for photoelectrochemical water‐splitting due to its narrow band gap and appropriate band edge positions for water oxidation. Nevertheless, its practical use has been impeded by poor charge transport and sluggish water oxidation kinetics. Here, a hybrid composite photoanode is fabricated by uniformly embedding SnS2 nanoparticles near the surface of a BiVO4 thin film, creating a type II heterostructure with strong interactions between the nanoparticles and the film for efficient charge separation. This structure forms via eutectic melting during atomic layer deposition of SnS2 with subsequent phase separation between SnS2 and BiVO4 at room temperature, offering greater advantages and flexibilities over conventional exsolution techniques. Furthermore, the SnS2/BiVO4 hybrid composite is coated with a thin amorphous ZnS passivation layer to accelerate charge transfer process and enhance long‐term stability. The optimized BiVO4/SnS2/ZnS photoanode exhibits a photocurrent density of 5.44 mA cm−2 at 1.23 V versus RHE, which is 2.73 times higher than that of the BiVO4 photoanode, and a dramatic improvement in photostability retention at 1.23 V versus RHE, increasing from 55% to 91% over 24 hours. This method of anchoring nanoparticles onto host materials proves highly valuable for energy and environmental applications.
Real‐Space Tilting Method for Atomic Resolution STEM Imaging of Nanocrystalline Materials
Authors: Wei Jiake , Xu Zhangze , Shen Wenjie , Feng Bin , Ishikawa Ryo , Shibata Naoya , Ikuhara Yuichi , Bai Xuedong 
Published: September 2024

AbstractAtomic‐resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to a high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns. However, for small‐sized nanocrystalline materials, their diffraction patterns are often too faint to guide the tilting process. Here, a simple and effective tilting method is developed based on the diffraction contrast change of the shadow image in the Ronchigram. The misorientation angle of the specimen can be calculated and tilted to the zone axis based on the position of the shadow image with lowest intensity. This method requires no prior knowledge of the sample and the maximum misorientation angle that can be corrected is >±6.9° with sub‐mrad accuracy. It operates in real space, without recording the diffraction patterns of the specimens, making it particularly effective for nanocrystalline materials. Combined with the scripting to control the microscope, the sample can be automatically tilted to the zone axis under low dose conditions (<0.17 e− Å−2 s−1), facilitating the imaging of beam sensitive materials such as zeolites or metal‐organic frameworks. This automated tilting method can significantly contribute to the atomic‐scale characterization of the nanocrystalline materials by STEM imaging.