bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controllable Electrochemical Liberation of Hydrogen from Sodium Borohydride
Authors: Liu Xi , Sun Wei , Chen Junxiang , Wen Zhenhai 
Published: December 2023

AbstractSodium borohydride (NaBH4) has earned recognition as a promising hydrogen carrier, attributed to its exceptional hydrogen storage capacity, boasting a high theoretical storage capacity of 10.8 wt %. Nonetheless, the utilization of traditional pyrolysis and hydrolysis methods still presents a formidable challenge in achieving controlled hydrogen generation especially under ambient conditions. In this work, we report an innovative electrochemical strategy for production H2 by coupling NaBH4 electrooxidation reaction (BOR) at anode in alkaline media with hydrogen evolution reaction (HER) at cathode in acidic media. To implement this, we have developed a bifunctional electrocatalyst denoted as Pd‐Mo2C@CNTs, wherein Pd nanoparticles are grown in situ on Mo2C embedded within N‐doped carbon nanotubes. This electrocatalyst demonstrates exceptional performance in catalyzing both alkaline BOR and acidic HER. We have developed a hybrid acid/alkali cell, utilizing Pd/Mo2C@CNTs as the anode and cathode electrocatalysts. This configuration showcases remarkable capabilities for self‐sustained, precise, and uninterrupted indirect release of H2 stored in NaBH4, even at high current densities of 100 mA cm−2 with a Faraday efficiency approaching 100 %. Additionally, this electrochemical device exhibits significant promise as a fuel cell, with the ability to deliver a maximum power density of 20 mW cm−2.
Construction of a Magnetic Interphase for Stable Cycling of Lithium Metal Batteries
Authors: Chen Yunyi , Liu Haijian , Liu Lingli , Li Jiayan , Han Yongsheng 
Published: December 2023

AbstractLithium (Li) metal has been considered to be the most promising anode material. However, the uncontrolled growth of Li dendrites and the instability of the solid electrolyte interphase (SEI) plague the commercial application of Li anodes. In this paper, a dual‐functional artificial magnetic interphase composed of PVDF and γ‐Fe2O3 is designed and constructed on the anode surface. The magnetic interphase modulates the distribution of lithium ions near the interface to induce stable deposition and stripping processes. Meanwhile, the magnetic particles improve the mechanical properties of the SEI layer and suppress the growth and spread of Li dendrites. The symmetrical cell coated with the magnetic layer has a stable cycle life of more than 4000 hours which is longer than that reported in most literature under the same conditions. This study highlights the significance of the magnetic field in stabilizing lithium metal anodes, providing new insights and approaches to develop efficient batteries by matching the diffusion and reaction processes in batteries.
Aspects of Admixture Research: On the Use of Machine Learning in Superplasticizer Chemistry
Authors: Gädt Torben , Wagner Thomas 
Published: December 2023

AbstractThe use of superplasticizers in concrete, especially polycarboxylate ethers (PCE), has delivered the ability to easily achieve low water to cement ratios and thereby either higher strength or lower cement contents. In the last years, significant progress has been made with regard to understanding the structure‐activity relationship of the interaction of PCE and cement. For example, scaling laws have been derived for the size of adsorbed PCE, the magnitude of the steric interaction force, for the retardation of cement hydration by PCEs and more recently for competitive adsorption. While this is extremely useful, the picture is not fully complete yet.In this contribution, we wish to highlight some recent work in the field of data analysis of PCE. Inspired by a very early machine‐learning study of concrete formulations, we extracted structural PCE data together with rheology data from the literature. We compare PCE performance across studies and attempt to uncover underlying structure‐activity‐relationships (using machine learning models). It turns out that the data set quality and quantity is not yet sufficient to establish reliable models.
Ultra‐high performance alkali‐activated slag as a reusable mold for light metal casting
Authors: Link Janna , Wetzel Alexander , Müller Sebastian , Middendorf Bernhard 
Published: December 2023

AbstractLight metal die casting is usually performed using steel molds. However, these lead to a reduced quality of the casting due to the occurrence of metal corrosion on the surface and the incorporation of hydrogen into the casting as a result of required process chemistry. Ultra‐high performance concrete based on alkali‐activated slag can be used to produce mineral molds for aluminum casting. The use of reusable mineral molds not only enables the production of various thin‐walled geometries. The risk of metal corrosion is eliminated and the concrete molds can withstand multiple cycles due to their thermal stability and high strength, making them potentially superior to the already common lost mineral molds.
Theoretical aspects of the genesis of composites: Dependence of properties on the history of formation
Authors: Herega Alexander 
Published: December 2023

AbstractStudies of the last decades have brought the results of modern natural science into technology of composite materials of the widest range. The methods of percolation theory have become constructive tools for studying the structure of composites, for the purposeful creation of materials with desired properties. In this paper, a computer model of the processes of self‐organization of percolation clusters has been created. The model considers such problems with self‐organization, in which the properties of a percolation cluster are also determined by the history of the system's development. To study the structure and properties of such systems, a three‐dimensional continuum percolation problem with interacting elements is solved in the model. Iterative algorithms for the motion and interaction of particles and clusters, leading to the formation of percolation systems, have been developed. Their structure and properties have been studied, a number of standard parameters have been calculated, and the dependence of the structure and properties of clusters on the rate of system generation, degree of self‐organization, and characteristic values of the correlation length has been studied; analytical dependences of a number of parameters of percolation systems are obtained.
Leuchtturmprojekt einer maximal CO2 reduzierten Brücke nach dem 5C Approach des Cembureau'
Authors: Wassmann Kerstin , Eberhardt Bernd Arnd , Kurath Josef 
Published: December 2023

KurzfassungDie Brücke „Bridge to the Future” setzt auf eindrückliche Weise den 5 C Ansatz des Cembureau' um, welcher die Optimierung des CO2‐Fussabdrucks über alle 5 Aspekte, vom Baustoff bis zur Bauweise beinhaltet. Die Verwendung des klinkerfreien Zementes Locarbo, kombiniert mit hohen Anteilen vorcarbonatisierter Gesteinskörnung in einem hochfesten Beton wurde hier mit CPC Technologie kombiniert, wodurch vollständig auf Stahlbewehrung verzichtet werden konnte.
Multi‐scale modeling for the prediction of Young's modulus of alkali‐activated slag concrete
Authors: Caron Richard , Patel Ravi A. , Dehn Frank 
Published: December 2023

AbstractAlkali‐activated slag is an alternative to ordinary Portland cement that can be used for structural applications. Young's modulus is an important property to predict stress or strains in concrete. However, the fib Model Code 2010 overestimates it for alkali‐activated slag concrete. Multi‐scale models allow the determination of concrete property from the features of the microstructure. In this study, an analytical micromechanics‐based multi‐scale homogenization model is applied to predict Young's modulus of alkali‐activated slag. It is compared to experimental results found in the literature on paste, mortar and concrete. Better predictions of Young's modulus are achieved from multiscale models compared to the fib MC 2010. Accuracy could be enhanced by improving the predictions for the degree of activation of slag for the different mixes.
Cucurbit[7]uril‐mediated Histidine Dimerization: Exploring the Structure and Binding Mechanism
Authors: Zaorska Ewelina , Malinska Maura 
Published: December 2023

AbstractCucurbit[7,8]urils are known to form inclusion complexes with hydrophobic amino acids such as Trp, Tyr, Phe, and Met, as well as peptides containing these residues at the N‐terminus. Despite their widespread use in protein purification, the affinity of histidine (His) for cucurbit[7,8]urils has not been extensively explored. In this study, X‐ray diffraction experiments were conducted to investigate the binding of two histidine moieties to the cucurbit[7]uril (CB7) cavity, resulting in a network of π–π and hydrogen bonds. This assembly was found to induce a His pKa shift of ΔpKa=−4. Histidine weakly bound to CB7 or CB8; however, isothermal titration calorimetry revealed micromolar equilibrium dissociation constant values for CB7 and CB8 when bound to dipeptides containing His at the C‐terminus. Conversely, dipeptides with His at the N‐terminus exhibited millimolar values. Additionally, the His‐Gly‐Gly tripeptide formed a 2 : 1 complex with CB7. These findings suggest the potential use of histidine and histidine‐containing tags in conjunction with CB7 for various biological applications.
Scaffold Editing of Cubanes into Homocubanes, Homocuneanes via Cuneanes
Authors: Takebe Hiyori , Matsubara Seijiro 
Published: December 2023

AbstractThe selective synthesis of cage‐type hydrocarbons through the editing of the highly symmetric molecule cubane can be anticipated as one of the efficient approaches. In this paper, we identify a catalyst that facilitates the efficient scaffold isomerization of cubanes into homocubanes. This approach, which involves the direct synthesis of homocubanol esters, is promising as a novel method for the synthesis of phenoxy bioisosteres. Additionally, we observed that the isomerization of 1,4‐bis(acyloxymethl)cubane results in the generation of both D2‐ and C2‐symmetrical bishomocubanes. The same catalyst was also applied to the isomerization of acyloxymethylcuneanes, producing homocuneanol esters.
Role of Triplet States in the Photolysis of Proteogenic Amino Acids
Authors: Guerra Cristian , Rodríguez‐Núñez Yeray A. , Ensuncho Adolfo E. 
Published: December 2023

AbstractThis investigation delves into the UV photodissociation of pivotal amino acids (Alanine, Glycine, Leucine, Proline, and Serine) at 213 nm, providing insights into triplet‐state deactivation pathways. Utilizing a comprehensive approach involving time‐dependent density functional calculations (TD‐DFT), multi‐configurational methods, and ab‐initio molecular dynamics (AIMD) simulations, we scrutinize the excited electronic states (T1, T2, and S1) subsequent to 213 nm excitation. Our findings demonstrate that α‐carbonyl C−C bond‐breaking in triplet states exhibits markedly lower barriers than in singlet states (below 5.0 kcal mol−1). AIMD simulations corroborate the potential involvement of triplet states in amino acid fragmentation, underscoring the significance of accounting for these states in photochemistry. Chemical bonding analyses unveil distinctive patterns for S1 and T1 states, with the asymmetric redistribution of electron density characterizing the C−C breaking in triplet states, in contrast to the symmetric breaking observed in singlet states. This research complements recent experimental discoveries, enhancing our comprehension of amino acid reactions in the interstellar medium.
An improved low‐input resistance folded‐cascode transimpedance amplifier for giga‐bit per second optical communication front‐ends
Authors: Zohoori Soorena , Hosseini Ahmad , Dehkordi Mehrdad Amirkhan , Mirsanei Seyed Mehdi 
Published: December 2023

SummaryThe present study is devoted to articulating a modified folded‐cascode circuit, to make folded‐cascode structures an attractive configuration as a transimpedance amplifier (TIA) for being employed in Giga‐bit per second optical communication receiver systems. Giga‐bps communication receivers are highly necessitating circuits to isolate the input parasitic capacitance of the photodiode. The present modification makes folded cascodes comparable to the famous regulated cascode (RGC) structures by isolating this parasitic capacitor almost by the same quantity. The system is shown to be capable of operating at 2.5 Gbps up to 8 Gbps data rate with a fixed bandwidth. The paper analyzes and evaluates the designed circuit mathematically, and the obtained simulated results from Cadence using TSMC 65 nm CMOS validate the suitability of the modified circuit as a TIA.
Acute psychotropic, autonomic, and endocrine effects of 5,6‐methylenedioxy‐2‐aminoindane (MDAI) compared with 3,4‐methylenedioxymethamphetamine (MDMA) in human volunteers: A self‐administration study
Authors: Angerer Verena , Schmid Yasmin , Franz Florian , Gnann Heike , Speer Jan Manuel , Gnann Anke , Helmecke Stephan , Buchwald Armin , Brandt Simon D. , Passie Torsten , Liechti Matthias E. , Auwärter Volker 
Published: December 2023

AbstractThe acute psychoactive, autonomic, and endocrine effects of the new psychoactive substance (NPS) 5,6‐methylenedioxy‐2‐aminoindane (MDAI; 3.0 mg/kg, range 180–228 mg) were investigated in six healthy volunteers (four males, two females) in a non‐blinded fashion without placebo. Subjective, cardiovascular, and endocrine responses were compared with two different doses of 3,4‐methylenedioxymethamphetamine (MDMA) (75 mg and 125 mg) described in previously published placebo‐controlled studies, which used identical outcome measures including Visual Analogue Scales (VAS), the Adjective Mood Rating Scale (AMRS), and the 5 Dimensions of Altered States of Consciousness (5D‐ASC) scale. MDAI was well tolerated and produced subjective effects comparable with those of 125 mg MDMA. MDAI increased blood pressure similar to 125 mg MDMA but did not increase heart rate or body temperature. MDAI increased cortisol and prolactin levels and could be detected in serum about 20 min post ingestion and remained detectable at least for 4 days. In urine, MDAI was detectable over a period of at least 6 days. Further clinical investigations are warranted to assess whether MDAI could serve as drug with medicinal properties.
Developing a surface acoustic wave‐induced microfluidic cell lysis device for point‐of‐care DNA amplification
Authors: Husseini Abbas Ali , Yazdani Ali Mohammad , Ghadiri Fatemeh , Şişman Alper 
Published: December 2023

AbstractWe developed a microchip device using surface acoustic waves (SAW) and sharp‐edge glass microparticles to rapidly lyse low‐level cell samples. This microchip features a 13‐finger pair interdigital transducer (IDT) with a 30‐degree focused angle, creating high‐intensity acoustic beams converging 6 mm away at a 16 MHz frequency. Cell lysis is achieved through centrifugal forces acting on Candida albicans cells and glass particles within the focal area. To optimize this SAW‐induced streaming, we conducted 42 pilot experiments, varying electrical power, droplet volume, glass particle size, concentration, and lysis time, resulting in optimal conditions: an electrical signal of 2.5 W, a 20 μL sample volume, glass particle size below 10 μm, concentration of 0.2 μg, and a 5‐min lysis period. We successfully amplified DNA target fragments directly from the lysate, demonstrating an efficient microchip‐based cell lysis method. When combined with an isothermal amplification technique, this technology holds promise for rapid point‐of‐care (POC) applications.
Enhanced solar‐light driven CO2 conversion using Pt‐doped graphitic carbon nitride photocatalyst
Authors: Pham Thi Huong , Nguyen Minh Viet , Chu Thi Thu Hien , Jung Sung Hoon , Kim Taeyoung 
Published: December 2023

AbstractThe increasing levels of carbon dioxide (CO2) in our atmosphere demand innovative and efficient methods for its reduction. In this context, we present an advanced solar‐driven photocatalyst, Pt‐doped graphitic carbon nitride (Pt/g‐C3N4), specifically engineered for enhanced photoreduction of CO2. Our findings highlight the dual advantage of Pt/g‐C3N4: enhanced visible light absorption and electron‐hole pair dynamics, ensuring efficient carrier separation. Notably, the CO and CH4 yields, when employing Pt/g‐C3N4, surpassed those with the pristine g‐C3N4 catalyst by factors of 3.1 and 4.3, respectively. Moreover, the Pt/g‐C3N4 catalyst exhibited consistent high‐efficiency of CO2 conversion over successive cycles, emphasizing the catalyst's robustness. This work underscores the potential of Pt/g‐C3N4 as a viable tool against escalating CO2 levels, paving the way for a green and sustainable conversion of this predominant greenhouse gas into beneficial chemicals. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.
Hematopoietic cell transplantation and cellular therapies in Switzerland. Evolution over 25 years. A report from the stem cell transplantation and cellular therapies working groups of the SBST 1997–2021
Authors: Passweg Jakob R. , Baldomero Helen , Ansari Marc , Arber Caroline , Chalandon Yves , Daskalakis Michael , Diepold Miriam , Diesch‐Furlanetto Tamara , Duchosal Michel A. , Gerull Sabine , Güngör Tayfun , Heim Dominik , Hitz Felicitas , Holbro Andreas , Masouridi‐Levrat Stavroula , Nair Gayathri , Novak Urban , Pabst Thomas , Renner Christoph , Stussi Georg , Schneidawind Dominik , Schanz Urs , Wannesson Luciano , Halter Jörg P. ,   for the Swiss Blood Stem Cell Transplantation Group (SBST)
Published: December 2023

AbstractThe Swiss Blood Stem Cell Transplantation and Cellular Therapy Group (SBST) leads a mandatory national registry for all hematopoietic stem cell transplants (HCT) and cellular therapies. After 25 years, information was available for 11,226 patients receiving an HCT (4031 allogeneic and 7195 autologous), including 925 pediatric patients. We compared patient characteristics and outcome by quinquennia 1997–2001, 2002–2006, 2007–2011, 2012–2016, and 2017–2021. There were numerous changes over time. Allogeneic transplant recipients became older (median age 33.7 vs. 54.3) and had more frequently unrelated donors and reduced intensity conditioning in later quinquennia. Similarly, age increased for recipients of autologous HCT (median 48.3 vs. 59.9). We did not see a significant drop in transplant activity during the SARS‐CoV‐2 pandemic. Analysis of outcome showed overall survival (relative risk (RR) of death 0.664 (0.529–0.832) and progression free survival (RR 0.708 (0.577–0.870) being improved over time comparing the latest to the first quinquennium adjusting for risk factors. Non‐relapse mortality decreased in recipients of allogeneic HCT (RR: 0.371 (0.270–0.509)) over time but relapse risks did not. Outcome of autologous HCT improved as well across quinquennia, this improvement was mainly due to decreased relapse risks (RR 0.681 (0.597–0.777)), possibly related to maintenance treatment or rescue treatment for relapse mainly in myeloma patients. Cellular therapies other than allogeneic or autologous HCT, particularly chimeric antigen receptor T‐cells (CAR‐T) treatment have started to increase after 2019, year of approval of the first commercial CAR‐T product in Switzerland. Data on chimeric antigen receptor T‐cell treatment are too early for comparative analyses. Detailed analyses of changes over time are presented. This study includes all HCTs, and cellular therapies, data useful for quality assurance programs, health care cost estimation and benchmarking. Between 50% and 60% of patients are long‐term survivors after both types of HCT, indicating growing populations of surviving patients requiring long‐term care.
Prediction of shared gene signatures and biological mechanisms between polycystic ovary syndrome and asthma: Based on weighted gene coexpression network analysis
Authors: Bai Lilian , Gao Xueli , Guo Yanyan , Gong Junxing , Li Yuchen , Huang Hefeng , Liu Xinmei 
Published: December 2023

AbstractObjectiveSeveral clinical studies have shown an association between polycystic ovary syndrome (PCOS) and asthma; however, the molecular link between these conditions remains unclear. In this study, we conducted a reanalysis and repurposing of existing databases in order to depict the common key genes, related signaling pathways, and similarity of the immune microenvironment between PCOS and asthma.MethodsPCOS and asthma data sets were downloaded, and common signal pathways were identified by using gene set enrichment analysis. Identified common susceptibility genes were explored by intersecting the weighted gene coexpression network analysis module genes for both diseases. Then, we performed protein–protein interaction, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes analyses of the common susceptibility genes. Finally, we analyzed the immune environment of PCOS and asthma.ResultsWe identified five hub genes, namely, MMP9, CDC42, CD44, CD19, and BCL2L1, and uncovered that these five hub genes showed a tendency to be upregulated in both PCOS and asthma and possessed good diagnostic ability. In addition, we revealed that both PCOS and asthma were significantly enriched in the FcεRI‐mediated signaling pathway. Moreover, we found that both PCOS and asthma exhibited infiltration of similar types of immune cells, such as monocytes, suggesting that the two diseases have similar pathological features.ConclusionPCOS and asthma share common causative genes with a similar immune environment. Taken together, we uncovered previously unsuspected traits for comprehensive diagnosis and treatment of PCOS and asthma in the future.
Influence of ultrasound pretreatment on drying characteristics of cocoyam (Xanthosoma sagittifolium) slices during convective hot air drying
Authors: Nkem Owoidoho Michael , Oladejo Ayobami Olayemi , Alonge Akindele Folarin 
Published: December 2023

AbstractBACKGROUNDConvective hot air drying of cocoyam is risk‐free and inexpensive to a significant level. However, hot air drying causes negative changes to the color, texture, flavor and nutritional content of cocoyam as a result of the prolonged drying. Recently, the innovative technology of ultrasound pretreatment has been applied in food processing to reduce the processing time, conserve energy and preserve the quality of the food product. Thus, there is need to investigate the effect of ultrasound pretreatment with distilled water (UDW) and ultrasound with osmotic dehydration (UOD) for different ultrasonic times (10–30 min) on the drying kinetics of cocoyam slices during convective hot air drying. Ultrasound pretreatment was applied at a frequency of 20 kHz and an output power of 600 W for UDW and UOD. The ultrasound‐pretreated samples were further dried in a convective hot‐air drying oven at 70 °C.RESULTSUDW and UOD samples, respectively, had a 25% and 46% reduction in drying time compared to untreated samples. The UOD samples had the lowest activation energy (10.697 kJ), as well as the highest moisture diffusivity (3.782  × 10−10 m2 s−1) and mass transfer coefficient (2.006  × 10−8 m s−1), among the untreated and UDW samples. Wang and Singh, Page and Peleg models were found to be the most fitted models with respect to the drying characteristics of cocoyam for untreated, UDW and UOD samples, respectively.CONCLUSIONUltrasound pretreatment technology is a potential non‐thermal process that can be incorporated as a pretreatment method in the convective drying of cocoyam to reduce processing time, conserve energy and enhance cocoyam product shelf life. © 2023 Society of Chemical Industry.