bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advanced Zeolite‐Based Catalysts for CO2 Hydrogenation to Targeted High‐Value Chemicals and Fuels
Authors: Ding Xuechun , Duan Jiayi , Jia Meijie , Fan Haihan , Lyu Yuchao , Fu Jianye , Liu Xinmei 
Published: January 2025

AbstractThe excessive use of fossil fuels has resulted in elevated CO2 emissions in the atmosphere, significantly impacting the climate and global environment. The catalytic conversion of CO2 into high‐value chemicals has been recognized as a promising strategy to mitigate CO2 emissions. Light olefins, aromatics, and alcohols, etc. are widely used high‐value chemicals as fuels and chemical synthesis intermediates. To enhance the catalytic efficiency and selectivity for producing these chemicals, various catalysts have been developed. Among them, zeolite‐based catalysts have garnered significant attention due to their unique microporous structure, shape‐selective catalysis capability, high thermal stability, and tunable acidity. This article focuses on the distinctive structural characteristics of zeolites and their notable representative applications, with particular emphasis on the impact of zeolite structural properties on catalytic performance and reaction mechanism. Additionally, we discuss the current challenges of fabricating highly efficient zeolite‐based catalysts and future development prospects in improving the catalytic performance and industrial‐scale applications. We propose rational and strategic insights to pave the way for the efficient utilization of CO₂ as a valuable resource.
Competition vs. Cooperativity of I⋅⋅⋅Omorpholinyl and I⋅⋅⋅Cl−M Halogen Bonds in Cocrystals of Zinc(II) and Copper(II) Coordination Compounds Carrying Multiple Acceptor Sites
Authors: Nemec Vinko , Sušanj Ruđer , Baus Topić Nea , Cinčić Dominik 
Published: January 2025

AbstractIn order to explore a strategy for synthesizing halogen‐bonded metal‐organic cocrystals by utilizing metal complexes whose pendant chloride group and the morpholinyl oxygen atom enables halogen bonding, we have synthesized four pentacoordinated Cu(II) and Zn(II) complexes of the MCl2L general formula (L=imines prepared by the condensation reaction of 4‐aminoethylmorpholine with 2‐pyridinecarboxyaldehide or 2‐acetylpyridine). The prepared metal complexes were further cocrystallized with selected iodoperfluorinated benzenes. Out of 20 combinations, 14 experiments yielded crystals suitable for single‐crystal X‐ray diffraction. Structural analysis revealed that in 7 cocrystals halogen bonds are formed both with morpholinyl oxygen as well as with chloride atoms. In 6 cocrystals only I⋅⋅⋅Cl halogen bonds are present, while only one cocrystal exclusively featured I⋅⋅⋅Omorpholinyl halogen bonds. We observed 5 halogen bonding motifs to the MCl2 moiety, in which each chloride atom can be an acceptor of one halogen bond, two, or none at all. The most common motif in our work (6 cocrystals) is where one chlorine atom is an acceptor of one halogen bond, while the other chlorine atom does not participate in halogen bonding. The crystal packing in the prepared cocrystals is directed by halogen‐bonded architectures which are either zero‐, one‐ or two‐dimensional.
Latent Activation Limited Failure Models, Stochastic Ordering and Identifiability
Authors: Jiang Qi , Basu Sanjib 
Published: January 2025

ABSTRACTLimited failure or cure rate models provide generalization of lifetime models which allow the possibility of subjects or units to be cured or be failure‐free. While modeling and analysis of such models are extensively studied, we study the important question of identifiability of these models. We discuss the latent and hierarchical activation cure models and establish a series of results on stochastic ordering within these models. We also establish a series of results on identifiability of these models under various conditions. Further, we demonstrate multiple cases where there models are not identifiable and illustrate the potential difficulty with these models in a simulation study.
Joint Probability Functions for Scenarios Arising From Multi‐State Series and Multi‐State Parallel Systems
Authors: Kulkarni Leena , Sabnis Sanjeev , Ghosh Sujit K. 
Published: January 2025

ABSTRACTConsider multi‐state series and multi‐state parallel systems consisting of independent components each. It is assumed that (i) each component and both the systems take values in the set , (ii) each system and each component start out in state 2, the perfect state, and they make the transition to state 1, depending upon system configuration, and, eventually, each system enters state 0, the failed state. This multi‐state nature of components and systems leads to scenarios under which each of the systems makes the transition from state 2 to state 1, and eventually to state 0. The joint probability function for times spent in state 2 and state 1 is obtained based on these scenarios for each of the systems. It is interesting to note that by merely changing set of a standard binary series (parallel) system to a set of a multi‐state series (multi‐state parallel) system, renders expression of the joint probability function of system spending times in state 2 and state 1 of a multi‐state series (multi‐state parallel) system is quite complex as compared to the univariate survival probability of the binary series (parallel) system being in the functioning state. As a proof of concept, graphical comparison between these analytical joint probability functions and joint empirical probability functions for each of the multi‐state series and multi‐state parallel systems based on the Farlie‐Gumbel‐Morgernsten distribution is made, and it is found that they compare very well. The graphical comparison between corresponding univariate cumulative distribution functions is also found to be very good. The theoretical results mentioned above for multi‐state series and multi‐state parallel systems have been partially generalized for multi‐state systems made up of subsystems that are themselves either multi‐state series or multi‐state parallel systems. Finally, an attempt has been made to demonstrate the result for the multi‐state series system with a real‐life scenario involving head and neck cancer data using copula models such as Gumbel, Clayton, FGM, and Frank.
A Comprehensive Degradation Modeling Comparison From Statistical to Artificial Intelligence Models for Curing Oven Chains
Authors: Misaii Hasan , Ponchet Durupt Amélie , Vu Hai Canh , Boudaoud Nassim , Leduc Patrick , Xu Yun , Caracciolo Arnaud 
Published: January 2025

ABSTRACTThe limitations of physics‐based models and the constraints posed by data‐driven models have motivated the development of fusion models for degradation modeling. These fusion models are designed to overcome the shortcomings inherent to either type of these models when used in isolation. In reliability analysis, particularly for highly reliable systems or units, the available datasets often exhibit small sample sizes. In such instances, the amount of data may not suffice for training powerful data‐driven models, which typically require large datasets. Additionally, physics‐based models may fail to capture all relevant information present in the data. This article focuses on addressing small sample‐size datasets related to highly reliable systems, exploring various statistical and machine learning models tailored for such datasets, from statistical and AI models to fusion models. Furthermore, to address the challenges of using these models in isolation, a combination approach is presented involving employing simple data‐driven models accompanied by essential data preprocessing and a physics‐based model. This combination enables the models to capture the majority of pertinent information within the data. Also, a time‐windowed multilayer perceptron is adapted to the dataset, showing that a meticulously prepared artificial neural network model might surpass the performance of some robust data‐driven and even fusion models.
3D‐Betondruck von Vollwandquerschnitten mittels Autobetonpumpe – Erfahrungsbericht des ersten gedruckten Bauwerks in Deutschland
Authors: Alós Shepherd David , Dehn Frank , Kuhn Alexander , Degen Robin , Wolf Klaus , Heller Tim , Kuhn Kornelia , Nerella Venkatesh Naidu , Dichtl Matthias , Meier Nico 
Published: January 2025

AbstractDas 3D‐Betondruckverfahren bietet insbesondere vor dem Hintergrund steigender Design‐ und Qualitätsansprüche sowie des Fachkräftemangels das Potenzial, traditionelle Bauverfahren zu ersetzen. In Zusammenarbeit zwischen der Ed. ZÜBLIN AG und Putzmeister Holding GmbH wurde unter dem Namen KARLOS ein innovatives Betondruckverfahren entwickelt. Das Verfahren basiert auf einer automatisierten Autobetonpumpe, die Beton über einen speziellen Druckkopf extrudiert und ohne Schalung oder Nachverdichtung tragende Wände druckt. Das erste reale Bauprojekt konnte Ende 2023 auf dem Gelände der STRABAG BMTI in Stuttgart‐Weilimdorf in Form einer Lagerhalle umgesetzt werden. Es wurde eine 10 × 6,5 × 5 m3 große Lagerhalle mit insgesamt 35 laufenden Metern tragenden und raumabschließenden Außenwänden sowie eine umlaufende Attika gedruckt. Für die KARLOS‐3D‐Drucktechnologie wurde ein normgerechter Beton nach DIN EN 206‐1 i. V. m. DIN 1045‐2 zur Herstellung der Lagerhalle verwendet. Dadurch konnten die 3D‐gedruckten Wände nach den Vorgaben der DIN EN 1992‐1‐1 Teil 12 für tragende Bauwerke aus unbewehrtem oder gering bewehrtem Beton bemessen werden. Dieses Vorgehen wurde durch verschiedene Versuche, unter anderem Großversuche an Bauteilen an der MPA Karlsruhe des Karlsruher Instituts für Technologie (KIT), zur Beurteilung der statischen und brandschutztechnischen Eigenschaften bestätigt. Das Projekt zeigt ein vielversprechendes Potenzial, das in zukünftigen Bauvorhaben weiter genutzt werden soll.
Nitrogen‐Doped Carbon Dots Prepared via Microchannel Method for Visual Detection of Copper Ions
Authors: Ma Yunfei , Wang Songtao , Sun Wei , Zhou Longlong , Deng Yiqing , Zhao Qiang 
Published: January 2025

ABSTRACTCopper ions (Cu2+) play a crucial role in biological processes; however, excessive intake can result in severe health problems. Current methods for detecting copper ions are both expensive and complex. Therefore, there is a need for efficient and straightforward visual detection methods. In this study, novel nitrogen‐doped carbon dots (N‐CDs) were synthesized via a microchannel method using diethylenetriamine and citric acid as precursors and were characterized by TEM, XRD, and IR, among others. The N‐CDs demonstrated high selectivity and strong fluorescence, showing a linear quenching response to copper ions with a detection limit of 46 nM, whereas other common metal ions, such as Ca2+ and Mg2+, exhibited negligible interference even at higher concentrations. These N‐CDs were subsequently applied to test paper, allowing for on‐site visual and quantitative detection of copper ions via a colorimetric method. This approach provides a novel solution for the rapid detection of copper ions, with significant potential in environmental monitoring, public health, and industrial applications.
Development of Novel Piperine‐Loaded Mesoporous Silica Nanoparticles: Enhanced Drug Delivery and Comprehensive In Vivo Safety Analysis
Authors: Francis Rahul , Parthasarathy Sudharsan , Aly Shaza H. , Kalyanaraman Ramanathan , Boominathan Vasuki , Tharumasivam Siva Vijayakumar , El‐Shazly Mohamed , Murugan Brindha Matharasi , Gnanadesigan Murugesan 
Published: January 2025

ABSTRACTPiperine‐loaded mesoporous silica nanoparticles (MSNPs) were synthesized by chemical methods from tetraethylorthosilicate (TEOS) as a precursor, N‐cetyl trimethyl ammonium bromide (CTAB) as a surfactant, piperine, distilled water, and sodium hydroxide (NaOH) as a catalyst at 80°C. After stirring the mixture for 20–30 min, the synthesized combined substances were washed with ethanol and the surfactant was removed using hydrochloric acid (HCl). The morphological characterization was assessed by high‐resolution‐transmission electron microscope (HR‐TEM), scanning electron microscopy (field emission [FE]‐scanning electron microscopy [SEM]), FE‐SEM–energy‐dispersive x‐ray (EDX), infrared Fourier transform infrared spectroscopic (FTIR), x‐ray diffractometer (XRD), dynamic light scattering (DLS), and ultraviolet–visible (UV–VIS). HR‐TEM final report showed the amorphous nature of the prepared nanoparticles (NPs). TEM image at 100 nm showed typical ball‐like geometry with an average particle size of 13.05 nm. FE‐SEM analysis proved that MSNPs loaded with piperine have a spherical shape with various nm ranges starting from 232 to 552 nm. The results of the piperine release test observed 93.70% of the drug (piperine) over 24 h. The in vivo toxicity analysis of piperine‐loaded MSNPs tested using adult zebrafish showed no toxic effect. Our developed piperine‐loaded MSNPs are favorable for achieving sustained release, a lower dose frequency, and better therapeutic effects.
Investigation of Substance Basis and Pharmacodynamics of Qingzao Jiufei Decoction in Lung Cancer Based On Serum Pharmacochemistry and Proteomics
Authors: Wen Xiaoli , Cheng Biting , Tan Min , Zhang Xiang , Yao Ziheng , Huang Rumei , Zhang Ge , liu Ling , Cai Fangyan , Liu Hongning 
Published: January 2025

ABSTRACTQingzao Jiufei Decoction (QD) is a renowned prescription for nourishing lung Yin to treat lung‐related diseases in ancient and modern times. It has been reported that QD can effectively inhibit the growth of lung cancer (LC), but the material basis and mechanism of its treatment of LC remain to be further studied. In this experiment, we combined serum pharmacochemistry and proteomics to study the pharmacodynamic material basis and mechanism of QD against LC. The results showed that in vitro a total of 121 compounds were identified. A total of 33 prototype chemical components were identified in vivo, which may be effective active ingredients for QD treatment of LC. Proteomic experiments have shown that compared with the model group, 113 DEPs in LC tissues were significantly changed after QD treatment, among which 57 proteins were significantly up‐regulated and 56 proteins were significantly down‐regulated (p < 0.05). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was performed on these DEPs. A total of 205 pathways were enriched, and the PI3K–Akt signaling pathway was experimentally verified. The results showed that QD can be used to treat LC by inhibiting the activation of the PI3K/Akt/mTOR signaling pathway.
Influence of the Electrolyte pH on the Double Layer Capacitance of Polycrystalline Pt and Au Electrodes in Acidic Solutions
Authors: Song Kun‐Ting , Schneider Peter M. , Grabovac Ivo , Garlyyev Batyr , Watzele Sebastian A. , Bandarenka Aliaksandr S. 
Published: January 2025

AbstractA deeper understanding of electrified solid/liquid interfaces of polycrystalline materials is crucial for optimizing energy conversion and storage devices, such as fuel cells, electrolyzers, and supercapacitors. After more than a century of research, the double‐layer capacitance (CDL) has proven to be one of the few relatively easily experimentally accessible quantitative measures for characterizing such interfaces. However, despite their great importance, systematic CDL measurements are still not frequently associated with other interfacial properties. This work investigates the effect of the electrolyte pH on the CDL for polycrystalline platinum (Pt(pc)) and gold (Au(pc)) electrodes using cyclic voltammetry and impedance spectroscopy in acidic solutions with a pH ranging from 0 to 2 without adding any supporting electrolyte. Interestingly, under these conditions, the CDL for the Pt(pc) electrode increases with increasing electrolyte pH, while the CDL for the Au(pc) electrode shows the opposite trend. The increasing trend for Pt(pc) cannot be quantitatively described by the classical Stern model due to the stronger adsorption phenomenon on Pt surfaces. Moreover, positive linear trends with pH were found for the potentials of minimum CDL values and the potentials of maximum entropy for both electrodes, which closely correlate with reaction activities. However, the transition potentials of the constant phase element exponent (an element commonly used to approximate the behavior of the double layer in experiments) are only observed for the Pt electrode due to the phase transitions within the hydrogen adsorption/desorption and double‐layer regions. These findings pose an important step toward revealing the interplay between essential interfacial parameters, which is crucial for a complete understanding of the electrical double layer.
Binary Additive in Millimolar Concentration for Long Cycling Life of Zinc‐Ion Batteries
Authors: Hering Joachim Gerd Christian , Holtmann Max , Kretschmer Katja Ramona , Antony Jithin , Drillet Jean‐Francois , Schröder Daniel 
Published: January 2025

AbstractThe reversibility of stripping and plating of the Zinc anode is one of the major bottlenecks of Zinc‐Ion batteries. In this publication, we propose a millimolar concentration additive blend that shall promote homogeneous Zinc plating with suppressed dendrite formation and reduce the influence of water‐splitting reactions. We use 5.5 mM sodium dodecyl benzene sulfonate (SDBS). SDBS adsorbs at the Zinc electrode and forms a protection layer that promotes homogenous crystallization. 4.5 mM Ethylenediamine‐tetraacetate (EDTA) is meant to hinder water splitting. It reduces the activity of water at the Zinc surface. Both additives together exhibit a synergistic effect, resulting in higher performance compared to cells with either additive alone. We propose a handover of the Zinc ions between the EDTA in solution and the SDBS layer as a reason for this effect. Our Zn//Zn symmetric cell tests ran for 3850 hours and 1925 cycles at 1 mA/cm2 and 1 mAh/cm2. In the end, Zinc‐MnO2 full cells were tested, showing a capacity retention of 52 % over 400 cycles.
N‐Hydroxyphthalimide/TiO2 Catalyzed Addition of Ethers, Alkylarenes and Aldehydes to Azodicarboxylates under Visible Light
Authors: Lopat'eva Elena R. , Krylov Igor B. , Terent'ev Alexander O. 
Published: January 2025

AbstractThe addition of carbon‐centered radicals to double bonds is one of the most atom‐efficient approaches to the formation of new C−C or C−heteroatom bonds. Existing approaches for the generation of carbon‐centered radicals often require elevated temperatures, UV radiation or expensive transition metal catalysts. In this work, a photocatalytic system based on a heterogeneous TiO2 catalyst and a redox organocatalyst N‐hydroxyphthalimide is proposed for the generation of carbon‐centered radicals from C(sp3)−H substrates or aldehydes at room temperature under visible light irradiation. The developed approach was successfully applied to the addition of ethers, alkylarenes and aldehydes to azodicarboxylates. Titanium oxide acts as a photocatalyst, producing phthalimide‐N‐oxyl radicals from N‐hydroxyphthalimide, thereby enabling the organocatalytic process in solution. Phthalimide‐N‐oxyl radicals act as catalytically active species that cleave C−H bonds to form carbon‐centered radicals.
Predicting inbred parent synchrony at flowering for maize hybrid seed production by integrating crop growth model with whole genome prediction
Authors: Laurent Anabelle , Munaro Eugenia , Zhao Honghua , Technow Frank , Whitted Eric , Clark Randy , San Martin Juan Pablo , Totir Radu 
Published: January 2025

AbstractOne of the challenges of maize (Zea mays) hybrid seed production is to ensure synchrony at flowering of the two inbred parents of a hybrid, which depends on the specific parental combination and environmental conditions of the production field. Maize flowering can be simulated using a mechanistic crop growth model that converts thermal time accumulation to leaf numbers based on inbred‐specific physiological parameter values. Heretofore, these inbred‐specific physiological parameters need to be measured or assigned based on prior knowledge. Here, we leverage genetic, environmental, and management data to predict physiological parameters and simulate flowering phenotypes by using whole genome prediction methodology combined with a crop growth model (CGM–WGP) as part of in‐field in‐season inbred growth development. We use two estimation sets that differ in terms of management and weather information to test the robustness of our approach. As part of our findings, we demonstrate the importance of defining informative priors to generate biologically meaningful predictions of unobserved physiological parameters. Our CGM–WGP infrastructure is efficient at simulating flowering phenotypes. An important practical application of our method is the ability to recommend differential planting intervals for male and female maize inbreds used in commercial seed production fields to synchronize male and female flowering.
Demonstration of a Chemical Recycling Concept for Polybutylene Succinate Containing Waste Substrates via Coupled Enzymatic/Electrochemical Processes
Authors: Buchinger Richard , Bischof Sabrina , Nickel Ole , Grassi Vanessa , Antony Jasmin , Ostermann Markus , Gahlawat Soniya , Valtiner Markus , Meißner Robert , Gübitz Georg , Pichler Christian M. 
Published: January 2025

AbstractChemical recycling of polymer waste is a promising strategy to reduce the dependency of chemical industry on fossil resources and reduce the increasing quantities of plastic waste. A common challenge in chemical recycling processes is the costly downstream separation of reaction products. For polybutylene succinate (PBS) no effective recycling concept has been implemented so far. In this work we demonstrate a promising recycling concept for PBS, avoiding costly purification steps. We developed a sequential process, coupling enzymatic hydrolysis of PBS with an electrochemical reaction step. The enzymatic step efficiently hydrolyses PBS in its monomers, succinic acid and 1,4‐butanediol. The electrochemical step converts succinic acid into ethene as final product. Ethene is easily separated from the reaction solution as gaseous product, together with hydrogen as secondary product, while 1,4‐butanediol remains in the aqueous solution. Both reaction steps operate in aqueous solvent and benign reaction conditions. Furthermore, the influence of electrolyte components on the electrochemical step was unraveled by applying molecular dynamic simulations. The final coupled process achieves a total ethene productivity of 91 μmol/cm2 over a duration of 8 hours, with 1110 μmol/cm2 hydrogen and 77 % regained 1,4‐butanediol as valuable secondary products.