bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alkynyl‐Protected Bimetallic Nanoclusters with a Hybrid Mackay Icosahedral Ag42Cu12Cl Kernel and an Octahedral Ag22Cu12 Kernel
Authors: Hu Feng , Guan Zong‐Jie , Yuan Shang‐Fu , Wang Quan‐Ming 
Published: August 2023

AbstractA facile strategy that directly reduces alkynyl‐silver precursors and copper salts for the synthesis of bimetallic nanoclusters using the weak reducing agent Ph2SiH2 is demonstrated. Two alkynyl‐protected concentric‐shell nanoclusters, (Ph4P)2[Ag22Cu12(C≡CR)28] and (Ph4P)3[Ag42Cu12Cl(C≡CR)36] (Ag22Cu12 and Ag42Cu12Cl, R=bis(trifluoromethyl)phenyl), were successfully obtained and characterized by single‐crystal X‐ray diffraction and electro‐spray ionization mass spectrometry. For the first time, a hybrid 55‐atom two‐shell Mackay icosahedron was found in Ag42Cu12Cl, which is icosahedral M54Cl instead of M55. The incorporation of a chloride in the metal icosahedron contributes to the stability of the cluster from both electronic and geometric aspects. Alkynyl ligands show various binding‐modes including linear “RC≡C−Cu−C≡CR” staple motifs.
An extraction‐free method for rapid detection of CYP2C19 * 2/3/17 polymorphisms in one tube using melting curve analysis
Authors: Guo Jianguang , You Weixin , Lin Kangfeng , Li Qinghan , Guo Xiangju , Wang Shuai , Bian Ya , Ren Wenjing , Zhang Rui , Wang Yanping , Li Boan 
Published: August 2023

AbstractDrug‐metabolizing enzymes play an important role in the metabolism of drugs in vivo. Their activity is an important factor affecting the rate of drug metabolism, which directly determines the intensity and persistence of drug action. Patients taking medication can be divided into different metabolic types through detection of CYP2C19 drug‐metabolizing enzyme gene polymorphisms, which can then be used for medication guidance for clopidogrel. Here, we describe a detection method based on real‐time polymerase chain reaction (PCR). This method uses multicolor melting curve analysis to accurately identify different mutation sites and genotypes of CYP2C19 * 2, CYP2C19 * 3, and CYP2C19 * 17.The detection limit of plasmid samples was 1 copies μL−1; that of genomic samples was 0.1 ng μL−1. The system can detect nine types of CYP2C19 * 2/3/17 at three sites in one tube, quickly achieving detection within 1 h. Combined with the sample release agent, sample extraction was completed in 5 s, achieving rapid diagnosis without extraction for timely diagnosis and treatment. Furthermore, the system is not limited to blood samples and can also be applied to oropharyngeal and saliva samples, increasing sampling diversity and convenience. When using clinical blood samples (n = 93), the detection system we established was able to quickly and accurately identify different genotypes, and the accuracy and effectiveness of the detection were confirmed by Sanger sequencing.Due to its accuracy, rapidity, simple operation, and low cost, detection technology based on real‐time polymerase amplification combined with melting curve analysis is expected to become a powerful tool for detecting and guiding clopidogrel use in countries with limited resources.
The emerging role of heart‐on‐a‐chip systems in delineating mechanisms of SARS‐CoV‐2‐induced cardiac dysfunction
Authors: Lu Rick Xing Ze , Zhao Yimu , Radisic Milica 
Published: August 2023

AbstractCoronavirus disease 2019 (COVID‐19) has been a major global health concern since its emergence in 2019, with over 680 million confirmed cases as of April 2023. While COVID‐19 has been strongly associated with the development of cardiovascular complications, the specific mechanisms by which viral infection induces myocardial dysfunction remain largely controversial as studies have shown that the severe acute respiratory syndrome coronavirus‐2 can lead to heart failure both directly, by causing damage to the heart cells, and indirectly, by triggering an inflammatory response throughout the body. In this review, we summarize the current understanding of potential mechanisms that drive heart failure based on in vitro studies. We also discuss the significance of three‐dimensional heart‐on‐a‐chip technology in the context of the current and future pandemics.
Development and Up‐scaling of Iron‐based Catalysts for Fischer‐Tropsch Synthesis of Higher Alcohols
Authors: Medicus Maximilian , Mettke Judith , Merkel Michael , Hilbig Sebastian , Abel Johannes , Seewald Felix , Klauss Hans‐Henning , Reichelt Erik 
Published: August 2023

AbstractFor sustainable production of chemicals like hydrocarbons and oxygenates from renewable carbon sources and electricity Fischer‐Tropsch synthesis is focused in current research. Aiming for this purpose, the development of supported powdered and shaped catalysts for low‐temperature Fischer‐Tropsch synthesis of value‐added higher alcohols was addressed in this study. Promising support materials like α‐Al2O3, SiO2, ZrO2 and SiC were assessed and the influence of electrochemical promoters on product formation was investigated. The results show an outstanding promoting effect of lithium on conversion and alcohol selectivity. A beneficial synergistic effect occurred for the combination of 1 % Li and Cu each and could be exploited both for supported powdered and shaped catalysts. Furthermore, effects of surface, shape, porosity and Fe content on pellet catalysts were investigated. Exploiting the beneficial effects found, the first monometallic shaped Fe‐based catalyst – outperforming the state‐of‐the‐art monometallic Fe powder catalysts in conversion and selectivity – is presented.
Density Functional Theory Computations and Experimental Analyses to Highlight the Degradation of Reactive Black 5 Dye
Authors: Yildiz Sayiter , Canbaz Gamze Topal , Kaya Savaş , Maslov Mikhail M. 
Published: August 2023

AbstractThe oxidative degradation of Reactive Black 5 (RB5) in aqueous solution was investigated using Fenton (FP), photo Fenton (P‐FP), sono Fenton (S‐FP), and sono photo Fenton (S‐P‐FP) processes. Degradation experiments showed efficient dye degradation for FP, P‐FP, S‐FP, and S‐P‐FP under optimal conditions. The half‐life values of the reaction calculated for first‐order reaction kinetics showed that the S‐FP process is faster than the FP and P‐FP processes. Using DFT calculations, the chemical reactivities of the studied chemical systems were analyzed. Especially the calculated chemical hardness values reflect the reactivities of the dye and the dye‐Fe2+ complex. The calculated binding energy between the Fe2+ ion and RB5 of 15.836 eV is compatible with the prediction made in the light of the principle of hard and soft acids and bases. The computed data supported the experimental observations.
Improvement in Rate Capabilities of Hybrid Cathodes with Through‐Holed Layers of Cathode Material and Activated Carbon on Each Side of a Current Collector in Lithium‐Ion Batteries.
Authors: Yamada Mitsuru , Fukunishi Mika , Ando Nobuo , Nakamura Susumu , Soma Naohiko , Matsumoto Futoshi 
Published: August 2023

AbstractThis study was conducted to improve the rate capability and cyclability of cathodes for lithium‐ion batteries (LIBs) with a hybrid cathode structure. The through‐holed LIB cathode material and activated carbon layers formed on each side of a current collector were drilled with a picosecond pulsed laser beam to prepare the cathode structure. The hybrid cathodes exhibited excellent rate capabilities of 93 % capacity retention at 100 C. The results were dependent on the weight percentage of the activated carbon relative to the total weight of the active materials and on the difference in discharge/charge voltages between the LIB cathode and activated carbon materials. The cathode had cycle stability at 50 C during 100 cycles. The performance characteristics of the hybrid cathode, the through‐holed and nontreated LIB cathodes, and the nontreated activated carbon cathodes were compared. In the Ragone plot, the hybrid cathode was located in the region where conventional through‐holed and nontreated cathodes would not be located.
Targeted regeneration and upcycling of spent graphite by defect‐driven tin nucleation
Authors: Cheng Zhiheng , Luo Zhiling , Zhang Hao , Zhang Wuxing , Gao Wang , Zhang Yang , Qie Long , Yao Yonggang , Huang Yunhui , Fu Kun Kelvin 
Published: August 2023

AbstractThe recycling of spent batteries has become increasingly important owing to their wide applications, abundant raw material supply, and sustainable development. Compared with the degraded cathode, spent anode graphite often has a relatively intact structure with few defects after long cycling. Yet, most spent graphite is simply burned or discarded due to its limited value and inferior performance on using conventional recycling methods that are complex, have low efficiency, and fail in performance restoration. Herein, we propose a fast, efficient, and “intelligent” strategy to regenerate and upcycle spent graphite based on defect‐driven targeted remediation. Using Sn as a nanoscale healant, we used rapid heating (~50 ms) to enable dynamic Sn droplets to automatically nucleate around the surface defects on the graphite upon cooling owing to strong binding to the defects (~5.84 eV/atom), thus simultaneously achieving Sn dispersion and graphite remediation. As a result, the regenerated graphite showed enhanced capacity and cycle stability (458.9 mAh g−1 at 0.2 A g−1 after 100 cycles), superior to those of commercial graphite. Benefiting from the self‐adaption of Sn dispersion, spent graphite with different degrees of defects can be regenerated to similar structures and performance. EverBatt analysis indicates that targeted regeneration and upcycling have significantly lower energy consumption (~99% reduction) and near‐zero CO2 emission, and yield much higher profit than hydrometallurgy, which opens a new avenue for direct upcycling of spend graphite in an efficient, green, and profitable manner for sustainable battery manufacture.
Tackling the proton limit under industrial electrochemical CO2 reduction by a local proton shuttle
Authors: Shao Tianye , Yang Kang , Chen Sheng , Zheng Min , Zhang Ying , Li Qiang , Duan Jingjing 
Published: August 2023

AbstractIndustrial CO2 electroreduction has received tremendous attentions for resolution of the current energy and environmental crisis, but its performance is greatly limited by mass transport at high current density. In this work, an ion‐polymer‐modified gas‐diffusion electrode is used to tackle this proton limit. It is found that gas diffusion electrode‐Nafion shows an impressive performance of 75.2% Faradaic efficiency in multicarbon products at an industrial current density of 1.16 A/cm2. Significantly, in‐depth electrochemical characterizations combined with in situ Raman have been used to determine the full workflow of protons, and it is found that HCO3− acts as a proton pool near the reaction environment, and HCO3− and H3O+ are local proton donors that interact with the proton shuttle −SO3− from Nafion. With rich proton hopping sites that decrease the activation energy, a “Grotthuss” mechanism for proton transport in the above system has been identified rather than the “Vehicle” mechanism with a higher energy barrier. Therefore, this work could be very useful in terms of the achievement of industrial CO2 reduction fundamentally and practically.
Synthesis of 4‐Deoxy‐4‐Fluoro‐d‐Sedoheptulose: A Promising New Sugar to Apply the Principle of Metabolic Trapping
Authors: Scheibelberger Lukas , Stankovic Toda , Pühringer Marlene , Kählig Hanspeter , Balber Theresa , Patronas Eva‐Maria , Rampler Evelyn , Mitterhauser Markus , Haschemi Arvand , Pallitsch Katharina 
Published: August 2023

AbstractFluorinated carbohydrates are important tools for understanding the deregulation of metabolic fluxes and pathways. Fluorinating specific positions within the sugar scaffold can lead to enhanced metabolic stability and subsequent metabolic trapping in cells. This principle has, however, never been applied to study the metabolism of the rare sugars of the pentose phosphate pathway (PPP). In this study, two fluorinated derivatives of d‐sedoheptulose were designed and synthesized: 4‐deoxy‐4‐fluoro‐d‐sedoheptulose (4DFS) and 3‐deoxy‐3‐fluoro‐d‐sedoheptulose (3DFS). Both sugars are taken up by human fibroblasts but only 4DFS is phosphorylated. Fluorination of d‐sedoheptulose at C‐4 effectively halts the enzymatic degradation by transaldolase and transketolase. 4DFS thus has a high potential as a new PPP imaging probe based on the principle of metabolic trapping. Therefore, the synthesis of potential radiolabeling precursors for 4DFS for future radiofluorinations with fluorine‐18 is presented.
Single and two‐cells shape analysis from energy functionals for three‐dimensional vertex models
Authors: Khan Ahmad K. , Muñoz‐Castro Guillem , Muñoz Jose J. 
Published: August 2023

AbstractVertex models have been extensively used for simulating the evolution of multicellular systems, and have given rise to important global properties concerning their macroscopic rheology or jamming transitions. These models are based on the definition of an energy functional, which fully determines the cellular response and conclusions. While two‐dimensional vertex models have been widely employed, three‐dimensional models are far more scarce, mainly due to the large amount of configurations that they may adopt and the complex geometrical transitions they undergo. We here investigate the shape of single and two‐cells configurations as a function of the energy terms, and we study the dependence of the final shape on the model parameters: namely the exponent of the term penalising cell‐cell adhesion and surface contractility. In single cell analysis, we deduce analytically the radius and limit values of the contractility for linear and quadratic surface energy terms, in 2D and 3D. In two‐cells systems, symmetrical and asymmetrical, we deduce the evolution of the aspect ratio and the relative radius. While in functionals with linear surface terms yield the same aspect ratio in 2D and 3D, the configurations when using quadratic surface terms are distinct. We relate our results with well‐known solutions from capillarity theory, and verify our analytical findings with a three‐dimensional vertex model.
Photoinduced One‐Electron Oxidation of Estrone Derivatives: A Combined Steady‐State and Time‐Resolved Spectroscopy Investigation
Authors: Quindt Matías I. , Protti Stefano , Merli Daniele , Bonesi Sergio M. 
Published: August 2023

AbstractA detailed investigation of the photophysics and of the redox properties of a set of selected estrone carboxylate and sulfonate esters was carried out by means of steady‐state and time‐resolved spectroscopies. The observed dual fluorescence was assigned to an efficient intramolecular energy transfer from the aromatic moiety to the carbonyl group. On the other hand, the photoinduced monoelectronic oxidation of R−OX in the presence of persulphate anion is followed by mesolytic fragmentation of the so generated radical cation into the corresponding phenoxyl radical with rate constant values (kfrag) of 104–105 s−1, that depend on the X−O bond dissociation energy values.
A Nature‐Inspired Antioxidant Strategy based on Porphyrin for Aromatic Hydrocarbon Containing Fuel Cell Membranes**
Authors: de Wild Tym , Wurm Jan , Becker Pascal , Günther Detlef , Nauser Thomas , Schmidt Thomas J. , Gubler Lorenz , Nemeth Tamas 
Published: August 2023

AbstractThe use of hydrocarbon‐based proton conducting membranes in fuel cells is currently hampered by the insufficient durability of the material in the device. Membrane aging is triggered by the presence of reactive intermediates, such as HO⋅, which attack the polymer and eventually lead to chain breakdown and membrane failure. An adequate antioxidant strategy tailored towards hydrocarbon‐based ionomers is therefore imperative to improve membrane lifetime. In this work, we perform studies on reaction kinetics using pulse radiolysis and γ‐radiolysis as well as fuel cell experiments to demonstrate the feasibility of increasing the stability of hydrocarbon‐based membranes against oxidative attack by implementing a Nature‐inspired antioxidant strategy. We found that metalated‐porphyrins are suitable for damage transfer and can be used in the fuel cell membrane to reduce membrane aging with a low impact on fuel cell performance.
Improved Reversible Capacity and Cycling Stability by Linear (N=O) Anions in Fe[Fe(CN)5NO] as Sodium‐Ion Battery Cathode
Authors: Han Qinghao , Hu Ya'nan , Gao Shuting , Yang Zonghua , Liu Xingjun , Wang Cuiping , Han Jiajia 
Published: August 2023

AbstractPrussian blue analogues (PBAs) are promising cathode materials for sodium‐ion batteries (SIBs) due to their tunable chemistry, open channel structure, and low cost. However, excessive crystal water and volume expansion can negatively impact the lifetime of actual SIBs. In this study, a novel iron nitroprusside: Fe[Fe(CN)5NO] (PBN) was synthesized to effectively eliminate the detrimental effects of crystal water on the reversible capacity and cycling stability of PBA materials. Experiments and DFT calculations demonstrated that PBN has lower crystal water and volume expansion compared to Fe[Fe(CN)6] (PB). Also, the N=O bond in PBN significantly reduces the diffusion potential of Na+ in the skeleton. Without any modification, the cathode material exhibited a capacity of up to 148.6 mAh g−1 at 50 mA g−1 as well as maintained 102.9 mAh g−1 after 200 cycles. This work expands our knowledge of the crystal structure of PBA cathode materials and facilitates the rational design of high‐quality PBA cathodes for SIBs.
Targeting MAGI2‐AS3‐modulated Akt‐dependent ATP‐binding cassette transporters as a possible strategy to reverse temozolomide resistance in temozolomide‐resistant glioblastoma cells
Authors: Chen Zhongjun , Zhou Jingmin , Liu Yu , Ni Hongzao , Zhou Botao 
Published: August 2023

AbstractDrug resistance is a major impediment to the successful treatment of glioma. This study aimed to elucidate the effects and mechanisms of the long noncoding RNA membrane‐associated guanylate kinase inverted‐2 antisense RNA 3 (MAGI2‐AS3) on temozolomide (TMZ) resistance in glioma cells. MAGI2‐AS3 expression in TMZ‐resistant glioblastoma (GBM) cells was analyzed using the Gene Expression Omnibus data set GSE113510 and quantitative real‐time PCR (qRT‐PCR). Cell viability and TMZ half‐maximal inhibitory concentration values were determined using the MTT assay. Apoptosis and cell cycle distribution were evaluated using flow cytometry. The expression of multidrug resistance 1 (MDR1), ATP‐binding cassette superfamily G member 2 (ABCG2), protein kinase B (Akt), and phosphorylated Akt was detected using qRT‐PCR and/or western blot analysis. MAGI2‐AS3 was expressed at low levels in TMZ‐resistant GBM cells relative to that in their parental cells. MAGI2‐AS3 re‐expression alleviated TMZ resistance in TMZ‐resistant GBM cells. MAGI2‐AS3 overexpression also accelerated TMZ‐induced apoptosis and G2/M phase arrest. Mechanistically, MAGI2‐AS3 overexpression reduced MDR1 and ABCG2 expression and inhibited the Akt pathway, whereas Akt overexpression abrogated the reduction in MDR1 and ABCG2 expression induced by MAGI2‐AS3. Moreover, activation of the Akt pathway inhibited the effects of MAGI2‐AS3 on TMZ resistance. MAGI2‐AS3 inhibited tumor growth and enhanced the suppressive effect of TMZ on glioma tumorigenesis in vivo. In conclusion, MAGI2‐AS3 reverses TMZ resistance in glioma cells by inactivating the Akt pathway.
Photoperiod effects in a freshwater community: Amphibian larvae develop faster and zooplankton abundance increases under an early‐season photoperiod
Authors: Neptune Troy C. , Benard Michael F. 
Published: August 2023

AbstractOrganisms that shift their phenologies in response to global warming will experience novel photic environments, as photoperiod (daylength) continues to follow the same annual cycle. How different organisms respond to novel photoperiods could result in phenological mismatches and altered interspecific interactions. We conducted an outdoor mesocosm experiment exposing green frog (Rana clamitans) larvae, gray treefrog (Hyla versicolor) larvae, phytoplankton, periphyton, and zooplankton to a three‐month shift in photoperiod: an early‐season photoperiod (simulating April) and a late‐season photoperiod (simulating July). We manipulated photoperiod by covering and uncovering tanks with clear or light‐blocking lids to mimic realistic changes in daylength. We assessed amphibian life history traits and measured phytoplankton, periphyton, and zooplankton abundances. Green frog larvae and gray treefrog metamorphs were more developed under the early‐season photoperiod. Gray treefrog total length was also reduced, but photoperiod did not affect green frog total length. Although phytoplankton and periphyton abundances were not affected by photoperiod, copepod nauplii were in greater abundance under the early‐season photoperiod. Overall, this simplified aquatic community did not exhibit significant changes to structure when exposed to a three‐month shift in photoperiod. Temperate amphibians that breed earlier in the year may develop faster, which may have long‐term costs to post‐metamorphic growth and performance. Asynchronous shifts in zooplankton abundances in response to altered photoperiods could subsequently affect freshwater community structure. While photoperiod has been shown to individually affect freshwater organisms, our study using replicated outdoor wetland communities shows that the comprehensive effects of photoperiod may be less important than other cues such as temperature and precipitation.
Whose line is it anyway? Moose (Alces alces) response to linear features
Authors: Finnegan Laura , Hebblewhite Mark , Pigeon Karine E. 
Published: August 2023

AbstractLinear features are pervasive across the boreal forest of Canada, negatively impacting several wildlife species. Understanding how wildlife responds to different types and characteristics of linear features is necessary for coordinated landscape restoration. Currently, linear feature restoration is focused on recovering threatened woodland caribou (Rangifer tarandus) which may have unintended impacts on other boreal species like moose (Alces alces). Understanding how moose respond to different linear features can help ensure restoration is targeted and effective. We used GPS data from seven moose collected between 2008 and 2010 to investigate response to linear features and to determine how moose response was influenced by characteristics of linear features like the surrounding habitat and regeneration. At the landscape scale, moose selected areas closer to seismic lines when they were in areas with lower densities of seismic lines and higher densities of harvest blocks and wildfires. This response was stronger during winter. Moose selected areas closer to pipelines when they were in areas with lower densities of other linear features, harvest blocks, and wildfires and were indifferent to roads at the population‐level. At the fine scale, during winter, moose selected areas closer to seismic lines regardless of vegetation height or the surrounding habitat, but were indifferent to seismic lines during summer, and were indifferent to roads and pipelines during summer and winter. Combined, our results suggest that there are characteristics of seismic lines which make them attractive to moose regardless of the regeneration height on the seismic lines, providing further evidence that effective linear feature restoration will need to address the fact that linear features increase landscape permeability and provide forage for multiple boreal wildlife species. Our results also further illustrate the importance of considering how linear feature restoration efforts focused on caribou may shift the distribution of other boreal wildlife species. Ultimately, conservation efforts for threatened species should recognize that conservation efforts focused on one species may have unintended consequences for interacting species.