bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxygen‐Assisted Supercapacitive Swing Adsorption of Carbon Dioxide
Authors: Bilal Muhammad , Li Jiajie , Kumar Neelesh , Mosevitzky Bar , Wachs Israel E. , Landskron Kai 
Published: July 2024

AbstractWe report on the supercapacitive swing adsorption (SSA) of carbon dioxide at different voltage windows in the presence of oxygen using activated carbon electrodes, and deliquescent, aqueous electrolytes. The presence of O2 in the CO2/N2 gas mixture results in an up to 11 times higher CO2 adsorption capacity with 3 M MgBr2 (at 0.6 V) and up to 4–5 times higher adsorption capacity with 3 M MgCl2 (at 1 V). A tradeoff between high CO2 adsorption capacities and lower coulombic efficiencies was observed at voltages above 0.6 V. The energetic and adsorptive performance of the electrodes in the presence of oxygen below 0.5 V was similar to the performance with a CO2/N2 mixture without oxygen at 1 V. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) of the electrodes demonstrate that the specific capacitance increases while the diffusion resistance decreases in the presence of oxygen. Oxygen concentrations ranging between 5–20 % give similar energetic and adsorptive performance. The electrodes exhibit stable performance for up to 100 cycles of operation.
Switching Product Selectivity in CO2 Electroreduction via Cu−S Bond Length Variation
Authors: Wei Xiaoqian , Li Zijian , Jang Haeseong , Gyu Kim Min , Liu Shangguo , Cho Jaephil , Liu Xien , Qin Qing 
Published: July 2024

AbstractRegulating competitive reaction pathways to direct the selectivity of electrochemical CO2 reduction reaction toward a desired product is crucial but remains challenging. Herein, switching product from HCOOH to CO is achieved by incorporating Sb element into the CuS, in which the Cu−S ionic bond is coupled with S−Sb covalent bond through bridging S atoms that elongates the Cu−S bond from 2.24 Å to 2.30 Å. Consequently, CuS with a shorter Cu−S bond exhibited a high selectivity for producing HCOOH, with a maximum Faradaic efficiency (FE) of 72 %. Conversely, Cu3SbS4 characterized by an elongated Cu−S bond exhibited the most pronounced production of CO with a maximum FE of 60 %. In situ spectroscopy combined with density functional theory calculations revealed that the altered Cu−S bond length and local coordination environment make the *HCOO binding energy weaker on Cu3SbS4 compared to that on CuS. Notably, a volcano‐shaped correlation between the Cu−S bond length and adsorption strength of *COOH indicates that Cu−S in Cu3SbS4 as double‐active sites facilitates the adsorption of *COOH, and thus results in the high selectivity of Cu3SbS4 toward CO.
Anode‐Electrolyte Interfacial Acidity Regulation Enhances Electrocatalytic Performances of Alcohol Oxidations
Authors: Huang Bingji , Yan Jiabiao , Li Zhenhua , Chen Lisong , Shi Jianlin 
Published: July 2024

AbstractThe local acidity at the anode surface during electrolysis is apparently stronger than that in bulk electrolyte due to the deprotonation from the reactant, which leads to the deteriorated electrocatalytic performances and product distributions. Here, an anode‐electrolyte interfacial acidity regulation strategy has been proposed to inhibit local acidification at the surface of anode and enhance the electrocatalytic activity and selectivity of anodic reactions. As a proof of the concept, CeO2‐x Lewis acid component has been employed as a supporter to load Au nanoparticles to accelerate the diffusion and enrichment of OH− toward the anode surface, so as to accelerate the electrocatalytic alcohol oxidation reaction. As the result, Au/CeO2‐x exhibits much enhanced lactic acid selectivity of 81 % and electrochemical activity of 693 mA⋅cm−2 current density in glycerol oxidation reaction compared to pure Au. Mechanism investigation reveals that the introduced Lewis acid promotes the mass transport and concentration of OH− on the anode surface, thus promoting the generation of lactic acid through the simultaneous enhancements of Faradaic and non‐Faradaic processes. Attractively, the proposed strategy can be used for the electro‐oxidation performance enhancements of a variety of alcohols, which thereby provides a new perspective for efficient alcohol electro‐oxidations and the corresponding electrocatalyst design.
The Coking of a Solid Catalyst Rationalized with Combined Raman and Fluorescence Lifetime Microscopy
Authors: Vogel Robin , Versluis Caroline , Frijsen Rowie , Prins P. Tim , Vogt Eelco T. C. , Rabouw Freddy T. , Weckhuysen Bert M. 
Published: July 2024

AbstractThe formation of carbon deposits is a major deactivation pathway for solid catalysts. Studying coking on industrially relevant catalysts is, however, often challenging due to the sample heterogeneity. That is especially true for zeolite‐containing catalysts where fluorescence often hampers their characterization with Raman spectroscopy. We turned this disadvantage into an advantage and combined Raman and fluorescence (lifetime) microscopy to study the coking behavior of an equilibrium catalyst material used for fluid catalytic cracking of hydrocarbons. The results presented illustrate that this approach can yield new insights in the physicochemical processes occurring within zeolite‐containing catalyst particles during their coking process. Ex situ analyses of single catalyst particles revealed considerable intra‐sample heterogeneities. The sample‐averaged Raman spectra showed a higher degree of graphitization when the sample was exposed to more hexane, while the sample‐averaged fluorescence lifetime showed no significant trend. Simultaneous in situ Raman and fluorescence (lifetime) microscopy, used to follow the coking and the regeneration of single particles, gave more insights in the changing fluorescence dynamics. During the coking, the rise and decline of the average fluorescence lifetime suggested the prolonged presence of smaller coke species that are quenched more and more by adjacent larger polyaromatics acting as Förster‐resonance‐energy‐transfer acceptors.
Se‐Elemental Concentration Gradient Regulation for Efficient Sb2(S,Se)3 Solar Cells With High Open‐Circuit Voltages
Authors: Chen Junwei , Xu Chenchen , Li Gaoyang , Xu Zhiheng , Wang Yichao , Zhang Yan , Chen Chong , Wang Mingtai , He Liqing , Xu Jun 
Published: July 2024

AbstractAntimony selenosulfide (Sb2(S,Se)3), featuring large absorption coefficient, excellent crystal structure stability, benign non‐toxic characteristic, outstanding humidity and ultraviolet tolerability, has recently attracted enormous attention and research interest regarding its photoelectric conversion properties. However, the open‐circuit voltage (Voc) for Sb2(S,Se)3‐based photovoltaic devices is relatively low, especially for the device with a high power conversion efficiency (η). Herein, an innovative Se‐elemental concentration gradient regulation strategy has been exploited to produce high‐quality Sb2(S,Se)3 films on TiO2/CdS substrates through a thioacetamide(TA)‐synergistic dual‐sulfur source hydrothermal‐processed method. The Se‐elemental gradient distribution produces a favorable energy band structure, which suppresses the energy level barriers for hole transport and enhances the driving force for electron transport in Sb2(S,Se)3 film. This facilitates efficient charge transport/separation of photogenerated carriers and boosts significantly the Voc of Sb2(S,Se)3 photovoltaic devices. The champion TA‐Sb2(S,Se)3 planar heterojunction (PHJ) solar cell displays an considerable η of 9.28 % accompanied by an exciting Voc rising to 0.70 V that is currently the highest among Sb2(S,Se)3‐based solar cells with efficiencies exceeding 9.0 %. This research is anticipated to contribute to the preparation of high‐quality Sb2(S,Se)3 thin film and the achievement of efficient inorganic Sb2(S,Se)3 PHJ photovoltaic device.
Biomimetic Phthalocyanine‐Based Covalent Organic Frameworks with Tunable Pendant Groups for Electrocatalytic CO2 Reduction
Authors: Xie Tao , Chen Shuai , Yue Yan , Sheng Tian , Huang Ning , Xiong Yujie 
Published: July 2024

AbstractElectrocatalytic carbon dioxide reduction reaction (CO2RR) is an effective way of converting CO2 into value‐added products using renewable energy, whose activity and selectivity can be in principle maneuvered by tuning the microenvironment near catalytic sites. Here, we demonstrate a strategy for tuning the microenvironment of CO2RR by learning from the natural chlorophyll and heme. Specifically, the conductive covalent organic frameworks (COFs) linked by piperazine serve as versatile supports for single‐atom catalysts (SACs), and the pendant groups modified on the COFs can be readily tailored to offer different push‐pull electronic effects for tunable microenvironment. As a result, while all the COFs exhibit high chemical structure stability under harsh conditions and good conductivity, the addition of −CH2NH2 can greatly enhance the activity and selectivity of CO2RR. As proven by experimental characterization and theoretical simulation, the electron‐donating group (−CH2NH2) not only reduces the surface work function of COF, but also improves the adsorption energy of the key intermediate *COOH, compared with the COFs with electron‐withdrawing groups (−CN, −COOH) near the active sites. This work provides insights into the microenvironment modulation of CO2RR electrocatalysts at the molecular level.
Numerical study on the influence of cell gas on the compression behavior of expanded polypropylene
Authors: Grüber Bernd , Koch Ilja , Müller‐Pabel Michael , Meuchelböck Johannes , Gude Maik , Ruckdäschel Holger 
Published: July 2024

AbstractExpanded polypropylene (EPP) bead foam mainly consists of entrapped gas within closed polymer cells. This numerical study presents a method to account for the influence of this entrapped gas on the compression behavior of EPP foam. The method developed combines a finite element (FE) model of the foam structure with a smoothed particle hydrodynamics model to simulate the effect of the cell gas. The foam structure is modeled using the open‐source software neper, the FE simulations are conducted using the explicit FE solver of LS‐Dyna. Numerically obtained stress–strain curves for the investigated foam materials, both with and without considering the cell gas, are compared with experimental data from tests using a specially designed vacuum test chamber. The comparison shows a good agreement between numerical and experimental results, indicating that entrapped cell gas increases the structural stiffness under compression. However, in load‐hold‐unload tests, the numerical model fails to accurately capture the stress relaxation behavior observed during the hold phase of the experiment. This study highlights the significant impact of cell gas on the compression behavior of EPP foam and the need for further refinement in simulation strategy to capture effects like the stress relaxation and multiaxial loading.
UV‐cured epoxy‐acrylate interpenetrating polymer networks with different contents of epoxidized soybean oil
Authors: Samoilenko T. F. , Yarova N. V. , Yashchenko L. M. , Brovko O. O. 
Published: July 2024

AbstractThis work aims to study the effect of epoxidized soybean oil (ESO) concentration on the process of formation and characteristics of UV‐cured ternary epoxy‐acrylate interpenetrating polymer networks (IPNs). Whereas the amount of triethylene glycol dimethacrylate (TEGDMA) keeps constant, the one of ESO incorporated to substitute the respective quantity of diglycidyl ether of bisphenol A (DGEBA) is equal to 10, 20, and 30 parts by weight (pbw). A total of 30 pbw of ESO is found to be the most effective content for altering the conversion degree of epoxy groups and for enhancing the impact resistance of cured materials while providing their transparency. The addition of ESO induces the decrease in cross‐linking density and in the values of glass transition temperature. The samples exhibite good water and chemical resistance with some variations dependent on their composition. Thermooxidative stability of the specimens gradually reduces as the content of aromatic epoxy decreases. Overall, the introduction of ESO into epoxy‐acrylate IPNs not only lessens the fraction of synthetic epoxide but also facilitates the photopolymerization process of DGEBA and diminishes its brittleness. Considering fine atmospheric resistance testified by accelerated weathering test, given materials may be purposed as transparent films or protective coatings for both indoor and outdoor applications.
Improving bee feed recipes to safeguard honeybee colonies during times of food scarcity
Authors: Wang Xue , Zheng Xing , Guo Nana , Geng Mingyang , Wang Rongshen , Huang Ting , Ji Quanzhi , Liu Zhenxing , Zhao Yazhou 
Published: July 2024

AbstractIn beekeeping, when natural nectar or pollen sources become limited, it is crucial to provide supplemental bee feed to maintain the viability of the bee colony. This study was conducted during the autumn food shortage season, during which bees were fed with different proportions of modified bee feed. We identified an optimal bee diet by evaluating honeybee longevity, food consumption, body weight, and gut microbe distribution, with natural pollen serving as a control diet. The results indicated that bees preferred a mixture of 65% defatted soy flour, 20% corn protein powder, 13% wheat germ flour, 2% yeast powder, and a 50% sucrose solution. This bee food recipe significantly increased the longevity, feed consumption, and body weight of bees. The group fed the natural pollen diet exhibited a greater abundance of essential intestinal bacteria. The bee diets used in this study contained higher protein levels and lower concentrations of unsaturated fatty acids and vitamins than did the diets stored within the colonies. Therefore, we propose that incorporating both bee feed and natural pollen in beekeeping practices will achieve more balanced nutritional intake.
Selection of the most informative wavenumbers to improve prediction accuracy of milk fatty acid profile based on milk mid‐infrared spectra data
Authors: Lou Wenqi , Brito Luiz F. , Zhao Xiuxin , Bonfatti Valentina , Li Jianbin , Wang Yachun 
Published: July 2024

AbstractMilk mid‐infrared (MIR) spectra have been shown to provide valuable information on a wide range of traits to be used in dairy cattle breeding programs. Selecting the most informative variables from complex data can improve the prediction accuracy and model robustness and, consequently, the interpretability of MIR spectra. Thus, we aimed to investigate the prediction performance of feature selection methods based on MIR spectra data, using the milk fatty acid (FA) profile as an example to illustrate the evaluated procedure. Data of MIR spectra, milk test‐day records, and reference FA concentrations of 155 first‐parity Holstein cows were used in the analyses. Four models comprising different explanatory variables and three feature selection methods were evaluated. The results indicated that competitive adaptive reweighted sampling (CARS) method can effectively select the most informative variables from the MIR spectra, resulting in higher prediction accuracies than other variable selection approaches. The model including selected MIR spectra and cow information variables yielded the best FA profile predictions based on partial least square regression. C8:0, C10:0, C14:1, C17:0 isomers, C18:1, C18:1 isomer, medium‐chain FA, unsaturation FA, monounsaturated FA, and polyunsaturated FA presented accuracies based on the determination coefficient ranging from 0.66 to 0.85 in internal validation and from 0.65 to 0.84 in external validation. The most related wavenumbers to 35 FAs were found within 1003 to 1145 cm−1. Generally, using CARS and cow information improved predictions of FAs based on MIR spectra in Chinese Holstein dairy cows. Additional validation studies should be conducted as larger datasets become available.
Free iron accumulation and oxidative stress burden induce ferroptotic atrophy of chicken yolk sac during the late embryogenesis
Authors: Liu Huichao , Song Zehe , He Xi , Zhang Haihan 
Published: July 2024

AbstractThe aim of this study was to investigate the mechanism of iron homeostasis and the ferroptosis pathway for yolk sac atrophy during late embryogenesis. To study the mechanism of yolk sac atrophy, 100 eggs were used. Further, 500 eggs were randomly divided into five treatments and in ovo feeding with different iron sources, such as FeSO4, ferrous glycinate (Fe‐Gly), or deferoxamine (DFO), to study the effects of free iron content on hatching quality and embryonic development. The results showed that total iron content of yolk decreased, but yolk sac increased from embryonic(E)13 to E19 (p < 0.05). Comparison of gene expression of iron transport systems showed that free iron accumulation and dysfunction occurred in the yolk sac. Yolk sac metabolites at E19 compared to E13 were more enriched in histidine and sulfur pathways, suppressing glutathione synthesis and resulting in oxidative stress damage in the yolk sac. Combined analysis of differential metabolites and gene expression in ferroptosis pathway at E13 and E19 revealed the activation of the yolk sac during late embryogenesis was probably through up‐regulation of ACSL4 expression and down‐regulation of GPX4 expression. Furthermore, in ovo feeding FeSO4 shortened the incubation time compared to CON, while Fe‐Gly or DFO delayed the hatching peak and increased hatching weight with less residual yolk. Collectively, it can be concluded that yolk sac atrophy during late embryogenesis may be mediated by iron disorders and provides a novel insight to modulate yolk sac nutrition, and hatching efficiency in chickens.
A Nanostructured Phenazine‐Based Conjugated Microporous Polymer Hybrid Anode Boosts Power and Practicability of Organic‐Manganese Hydronium‐Ion Batteries
Authors: Grieco Rebecca , Fombona‐Pascual Alba , Patil Nagaraj , Alvan Diego , Liras Marta , Marcilla Rebeca 
Published: July 2024

AbstractOrganic‐manganese hydronium‐ion batteries are gaining attention for their safety, sustainability, and high rate capabilities. However, their electrochemical performance faces challenges due to organic active‐materials’ inferior properties, including low conductivity and solubility, and limited content (<60 wt %) and loading (<2 mg cm−2) in the anode. To address this, we developed a high‐performance battery using a phenazine‐based conjugated microporous polymer hybrid anode (IEP‐27‐SR), utilizing hydronium‐ion coordination/un‐coordination chemistry. The IEP‐27‐SR anode features enhanced structural characteristics, such as a high BET specific surface area, mixed micro‐/mesoporosity, nanostructurization, and hybridization, enabling rapid hydronium‐ion mobility. The resulting IEP‐27‐SR//MnO2@GF full‐cell demonstrates high capacity (101 mAh g−1 at 2 C), excellent rate performance (41 mAh g−1 at 100 C), ultrafast‐charging capability (80 % charged in 18 seconds), and impressive cycling stability with 83 % capacity retention over 20400 cycles at 30 C with a regular polymer mass loading of 2 mg cm−2, despite its high content (80 wt %) in the anode. Moreover, it shows operability at low temperatures (63 mAh g−1 at −40 °C). Most importantly, the full‐cell with a high‐mass‐loading polymer anode (30 mg cm−2) achieves practically relevant areal capacity (3.4 mAh cm−2 at 4 mA cm−2) and sustains 2 mAh cm−2 under an extremely high areal current (50 mA cm−2). This breakthrough highlights the progress of organic hydronium‐ion batteries, representing progress toward practical, sustainable energy storage solutions.
Teaching approach for deep reinforcement learning of robotic strategies
Authors: Podobnik Janez , Udir Ana , Munih Marko , Mihelj Matjaž 
Published: July 2024

AbstractThis paper presents the development of a teaching approach for Reinforcement Learning (RL) for students at the Faculty of Electrical Engineering, University of Ljubljana. The approach is designed to introduce students to the basic concepts, approaches, and algorithms of RL through examples and experiments in both simulation environments and on a real robot. The approach includes practical programs written in Python and presents various RL algorithms. The Q‐learning algorithm is introduced and a deep Q network is implemented to introduce the use of neural networks in deep RL. The software is user‐friendly and allows easy modification of learning parameters, reward functions, and algorithms. The approach was tested successfully on a Franka Emika Panda robot, where the robot manipulator learned to move to a randomly generated target position, shoot a real ball into the goal, and push various objects into target position. The goal of the presented teaching approach is to serve as a study aid for future generations of students of robotics to help them better understand the basic concepts of RL and apply them to a wide variety of problems.
A Peptide Strategy for Inhibiting Different Protein Aggregation Pathways
Authors: Garfagnini Tommaso , Ferrari Luca , Koopman Margreet B. , Dekker Françoise A. , Halters Sem , Van Kappel Eline , Mayer Guy , Bressler Shachar , Maurice Madelon M. , Rüdiger Stefan G. D. , Friedler Assaf 
Published: July 2024

AbstractProtein aggregation correlates with many human diseases. Protein aggregates differ in structure and shape. Strategies to develop effective aggregation inhibitors that reach the clinic failed so far. Here, we developed a family of peptides targeting early aggregation stages for both amorphous and fibrillar aggregates of proteins unrelated in sequence and structure. They act on dynamic precursors before mechanistic differentiation takes place. Using peptide arrays, we first identified peptides inhibiting the amorphous aggregation of a molten globular, aggregation‐prone mutant of the Axin tumor suppressor. Optimization revealed that the peptides activity did not depend on their sequences but rather on their molecular determinants: a composition of 20–30 % flexible, 30–40 % aliphatic and 20–30 % aromatic residues, a hydrophobicity/hydrophilicity ratio close to 1, and an even distribution of residues of different nature throughout the sequence. The peptides also suppressed fibrillation of Tau, a disordered protein that forms amyloids in Alzheimer's disease, and slowed down that of Huntingtin Exon1, an amyloidogenic protein in Huntington's disease, both entirely unrelated to Axin. Our compounds thus target early stages of different aggregation mechanisms, inhibiting both amorphous and amyloid aggregation. Such cross‐mechanistic, multi‐targeting aggregation inhibitors may be lead compounds for developing drug candidates against various protein aggregation diseases.