bluuebunny/crossref_metadata_2025_split huggingface dataset:
Directly Regenerating of Spent LiCoO2 with Gradient F‐Doped Subsurface towards Ultra‐Stable Storage Properties
Authors: Lei Hai , Cui Xinwei , Zeng Zihao , Zhu Chao , Sun Wei , Yang Yue , Ge Peng 
Published: September 2024

AbstractAs great potential recycling strategy, the direct regeneration of spent LiCoO2 (LCO) is beneficial for lowering environmental pollutions and promoting global sustainability. However, owing to the using of binder and electrolyte, some fluorine impurities would be remained into spent materials. Considering the doping behaviors of F‐elements, their suitable content introducing would facilitate the energy‐storage abilities of regenerated LCO. Herein, through the tailored introduction of F‐elements, spent LCO are successfully regenerated with physical‐chemical evolutions. Benefitting from the existed oxygen vacancies, the diffusion energy‐barrier of F‐elements is reduced from 1.73 eV to 0.61 eV, facilitating the establishment of gradient F‐doped subsurface, along with the formation of rigid CoO5F. Meanwhile, excess F‐elements (1 wt %, as a threshold) lead to the formation of LiF passivation layer on the surface. Thus, the as‐optimized sample displays a considerable capacity of 154.4 mAh g−1 even at 5.0 C, with retention rate (88.3 %) in 3.0–4.5 V. Supported by detailed electrochemical and kinetic analysis, the structural advantages are confirmed to boost the improved redox activity of Co‐ions and the alleviating of irreversible oxygen‐release. Give this, the work is anticipated to reveal the evolutions of regenerated LCO with the introduced F‐elements, whilst providing the practical regeneration strategies toward excellent high‐voltage properties.
Ultralight activated carbon/polyimide foam with heterogeneous interfaces for improved thermal stability, mechanical properties, and microwave absorption
Authors: Kang Jiayu , Cao Jingjing , Sun Wei , Xu Xinyu 
Published: September 2024

AbstractThe activated carbon (AC) has been widely used in the field of electromagnetic protection because of its porous, hollow microstructure and excellent electrical conductivity. In this paper, AC was prepared through KOH activation process. The ACs/polyimide foam (PIF) composite was prepared in situ during the synthesis of PI and the ACs. In this paper, AC was prepared using the potassium hydroxide (KOH) activation process. The AC/PIF composites were prepared by mixing ACs and pyromellitic dianhydride (PMDA) with methylene diphenyl diisocyanate (MDI). The pore structure and surface morphology of the ACs were observed using nitrogen adsorption–desorption isotherms and scanning electron microscopy (SEM). After KOH activation with KOH, the surface area and total pore volume of ACs significantly increased by 79.31% and 0.9539 cm3/g, respectively, mainly were the microporous structure. X‐ray photoelectron spectroscopy (XPS) results confirmed an increase in the oxygen content of ACs after KOH activation, indicating an increase in the relative hydroxyl content on the surface. The SEM resulting of the ACs/PIF composite has a well‐developed open cell structure. Thermal gravimetric analysis (TGA) revealed that ACs significantly improved the thermal stability of the ACs/PIF composite. The compressive strength of the ACs/PIF‐3 increased from 518 to 834 KPa, significantly enhancing its mechanical properties. Simultaneously, the microwave absorption performance can be controlled and regulated by optimizing the impedance gradient of the skeleton. Results showed that when ACs constituted 8 wt% of the PIF, the real permittivity (ɛ′) and imaginary permittivity (ɛ″) of ACs‐PIF‐5 were approximately 2.03 and 0.025, respectively.
Effect of Honeycomb Geometrical Parameters on Equivalent Radiated Power and Frequency Response of Motor Casing and Gearbox Surface of a Powertrain
Authors: Hegde Aditya Ramachandra , Srihari P. V. , Bharatish A. , Venkat M. B. , Swastik Raj B. R. 
Published: September 2024

ABSTRACTThe powertrain, as a central source of noise and vibration, is crucial in determining the overall NVH (noise, vibration and harshness) performance of vehicles, necessitating the optimisation of its structural components for improved durability and passenger comfort. This paper investigates the influence of key geometrical parameters—cell thickness, skin thickness and cell length—on the complex frequency modes of honeycomb and square sandwich structures using the Altair OptiStruct solver 2022 and fast Fourier transform analyser. The driven and non‐driven ends of a motor casing and a gearbox, represented by honeycomb structures and ribs, were subjected to an evaluation of equivalent radiated power (ERP). The results show that the square structure performs better at higher skin thickness when resisting severe lateral stresses than the honeycomb while being less stiff at higher cell thickness. Notably, smaller cell length had a substantial impact on the modes of the honeycomb structure, whereas larger cell length had an impact on the square structure. Response surface methodology was used to optimise the modal frequencies of both square and honeycomb panels simultaneously. An ideal cell length of 5.88 mm, skin thickness of 1.303 mm and cell thickness of 0.381 mm were found for the honeycomb construction, yielding a composite desirability of 0.981. On the other hand, with a cell length of 5.045 mm, skin thickness of 1.484 mm and cell thickness of 0.331 mm, the square structure achieved a composite desirability of 0.989. It is interesting to note that the driven end casing of the motor casing made more noise with the addition of ribs than the non‐driven end and gearbox. But compared to the original powertrain model, adding a honeycomb structure resulted in a noise reduction of about 10%.
Broadband THz Wave Generation and Detection in Organic Crystal PNPA at MHz Repetition Rates
Authors: Sterczewski Lukasz A. , Mnich Jakub , Sotor Jaroslaw 
Published: September 2024

AbstractOrganic nonlinear optical (NLO) crystals have emerged as efficient room‐temperature emitters of broadband THz radiation with high electric field strengths. Although initially confined to high‐pulse‐energy excitation in the millijoule range with kHz rates, recent efforts have focused on tailoring the physical properties of organic NLO materials for compatibility with popular MHz‐rate telecommunication wavelength lasers emitting nanojoule energy pulses. This is motivated by the large potential of such crystals for more portable and user‐safe spectroscopic systems, additionally complemented by their room‐temperature field‐sensitive THz detection capabilities. In this work, the MHz‐rate operation of the organic crystal PNPA ((E)‐4‐((4‐nitrobenzylidene)amino)‐N‐phenylaniline), which was recently discovered through data mining algorithms and reported to surpass the conversion efficiency of rivaling NLO crystals at 1 kHz repetition rate is demonstrated. Using a compact 200 mW Er:fiber laser producing 18 fs pulses at 50 MHz repetition rate, the THz field generation and detection capabilities of PNPA via performing gas phase spectroscopy in the 1.3–8.5 THz range are demonstrated. A dynamic range of 40 dB over 3.6 s and 70 dB over 2 h is obtained. The work extends the family of organic crystals compatible with telecommunication‐wavelength excitation using nJ pulses for spectroscopy beyond 5 THz.
Click Chemistry for the Generation of Combination of Triazole Core and Thioether Donor Site in Organosulfur Ligands: Applications of Metal Complexes in Catalysis
Authors: Bhatt Neeraj , Tyagi Anupma , Purohit Suraj , Kumar Arun 
Published: September 2024

AbstractDuring the last two decades, organosulfur compounds have been used in the field of transition metal catalysis. Some of such compounds are known for their ability to withstand their exposure to air and moisture. These compounds are very important ligands. They may be obtained using simple and smooth modular synthetic protocols which include nucleophilic substitution reactions. The development of click chemistry represents a new era of innovation. It is a lighthouse of reliable and efficient reactions. In recent past, click chemistry has also been applied for the synthesis of such organosulfur ligands specifically suited for the dynamic field of transition metal catalysis. In order to synthesize novel compounds containing sulfur and triazole ring, click chemistry is an advantageous methodology over other approaches. This article covers the general features and uses of this methodology for the development of catalytically active organosulfur compounds. The significant advances in the design of transition metal catalytic systems utilizing such ligands, their use in the catalysis of many chemical transformations are also covered in this article. Effort has also been made to present a comparative overview of the performances of such catalysts vis‐à‐vis the catalysts designed commonly used ligands. Catalytic performances have been discussed thoroughly in order to identify the impact of ligand architecture on efficacy of the catalyst. Effect of reaction conditions (such as time, temperature etc.) and mechanistic aspects have also been rationalized.
Gegenüberstellung der CO2‐Bilanz für Erhalt und Neubau von Bahnbrücken
Authors: Pelka Conrad , Keßler Jenny , Marx Steffen 
Published: September 2024

AbstractSobald eine Energie für eine bestimmte Tätigkeit aufgewendet wird, werden zwangsläufig Emissionen im Zuge eines negativen CO2‐Ausstoßes entstehen. Neben vielen weiteren Sektoren ist das Baugewerbe einer der größten Treiber der anhaltenden Negativbilanz. Ein Umdenken in Richtung der Weiternutzung von Tragwerken im Konstruktiven Ingenieurbau kann ein wichtiger Bestandteil zu einer positiven Entwicklung sein. Verdeutlicht am Anteil der Bestandsgewölbe im Netz der Deutschen Bahn, der vorhandenen Dauerhaftigkeit dieser Bauwerke, einer hohen Nutzungsdauer sowie der damit verbundenen potenziellen Tragfähigkeit kann durch den Erhalt dieser Bauwerke eine erfolgreiche Einsparung hinsichtlich ökologischer und ökonomischer Ziele erreicht werden. Mit der hier dargestellten CO2‐Bilanzierung in den Bereichen Baustoffeinsatz, Rückbau, Herstellung von Baustelleneinrichtungsflächen, Erdmassenbewegung, Schienenersatzverkehr während der Bauzeit und Betreiben der Anlagen über eine Nutzungszeit von 120 Jahren wird verdeutlicht, welches Potenzial der Erhalt von Gewölbebrücken gegenüber Ersatz und Neubau bedeutet. Mit Blick auf die kommenden Baumaßnahmen der Gewölbebrücken und dem Ziel der Deutschen Bahn, die Klimaneutralität bis 2040 zu erreichen, kann mit dieser Bauform ein Schritt in die notwendige Richtung gemacht werden.
Towards Sustainable Sulfide‐Based All‐Solid‐State‐Batteries: An Experimental Investigation of the Challenges and Opportunities Using Solid Electrolyte Free Silicon Anodes
Authors: Neumann Tobias , Alexander Dold Lukas , Thomas Cerny Alain , Tröster Eric , Günthel Michael , Fischer Anna , Peter Birke Kai , Krossing Ingo , Biro Daniel 
Published: September 2024

AbstractSilicon is one of the most promising anode active materials for future high–energy lithium‐ion‐batteries (LIB). Due to limitations related to volume changes during de–/lithiation, implementation of this material in commonly used liquid electrolyte‐based LIB needs to be accompanied by material enhancement strategies such as particle structure engineering. In this work, we showcase the possibility to utilize pure silicon as anode active material in a sulfide electrolyte‐based all‐solid‐state battery (ASSB) using a thin separator layer and LiNi0.6Mn0.2Co0.2O2 cathode. We investigate the integration of both solid electrolyte blended anodes and solid electrolyte free anodes and explore the usage of non‐toxic and economically viable solvents suitable for standard atmospheric conditions for the latter. To give an insight into the microstructural changes as well as the lithiation path inside the anode soft X‐ray emission and X‐ray photoelectron spectroscopy were performed after the initial lithiation. Using standard electrochemical analysis methods like galvanostatic cycling and impedance spectroscopy, we demonstrate that both anode types exhibit commendable performance as structural distinctions between two‐dimensional and three‐dimensional interfaces became evident only at high charge rates (8 C).
Sustainable nitrogen photofixation: Considerations on the state of the art of non critical carbon materials
Authors: Valentini Federica , Grigoras Amalia M. , Vaccaro Luigi , Latterini Loredana 
Published: September 2024

AbstractThe achievement of a carbon‐neutral energy economy is nowadays mandatory to face global warming and the current energy crisis. To mitigate the present and future environmental issues, replacing fossil feedstocks with renewable sources is of primary importance, aiming to meet future generations' demands for energy and commodities. In light of this, the revamp of the ammonia synthesis, which today consumes almost 2% of the energy globally produced, gained increasing interest. The ammonia generation by reacting air and water and using sunlight as an inexhaustible source of energy is the closest approach to the ideal situation for zero‐carbon energy and chemical production. To promote solar‐to‐ammonia production, the photocatalyst plays a crucial role. However, for large‐scale implementation and long‐term utilization, the selection of noncritical raw materials in catalyst preparation is central aiming at resource security. In this context, herein are reviewed different strategies developed to improve the photocatalytic performances of carbon‐based materials. The introduction of vacancies and surface doping are discussed as valuable approaches to enhance the photocatalytic activity in the nitrogen fixation reactions, as well as the construction of heterojunctions to finely tune the electronic properties of carbon‐based materials.
Distinguishing Organomagnesium Species in the Grignard Addition to Ketones with X‐Ray Spectroscopy
Authors: Restaino Lorenzo , Mincigrucci Riccardo , Kowalewski Markus 
Published: September 2024

AbstractThe addition of Grignard reagents to ketones is a well‐established textbook reaction. However, a comprehensive understanding of its mechanism has only recently begun to emerge. X‐ray spectroscopy, because of its high selectivity and sensitivity, is the ideal tool for distinguishing between an ensemble of competing pathways. With this aim in mind, we investigated the concerted mechanism of the addition of methylmagnesium chloride (CH3MgCl) to acetone in tetrahydrofuran by simulating the X‐ray spectra of different molecules in solution. We used electronic structure methods to calculate the X‐ray absorption spectra at the Mg K‐ and L1‐edges and the X‐ray photoelectron spectra at the Mg K‐edge for different organomagnesium species, which coexist in solution due to the Schlenk equilibrium. The simulated spectra show that individual species can be distinguished throughout the different stages of the reaction. Each species has a distinct spectral feature which can be used as a fingerprint in solution. The absorption and photoelectron spectra consistently show a blue shift as the reaction progressed from reagents to products.
A Rare Example of a Gallium‐Based Lewis Superacid: Synthesis and Reactivity of Ga(OTeF5)3
Authors: Fischer Lukas , Hoffmann Kurt F. , Riedel Sebastian 
Published: September 2024

AbstractThe Lewis superacid Ga(OTeF5)3 has been synthesized and characterized, revealing a monomeric structure in solution and a dimeric structure in the solid state. Isolated adducts of Ga(OTeF5)3 with strong and weak Lewis bases have been characterized spectroscopically as well as by single‐crystal X‐ray diffractometry. The Lewis acidity of this new species has been evaluated by means of different experimental and theoretical methods, which has allowed to classify it as one of only a few examples of a gallium‐based Lewis superacid. The high Lewis acidity of Ga(OTeF5)3 was used to amplify the strength of the Brønsted acid HOTeF5, leading to the protonation of diethyl ether. Furthermore, Ga(OTeF5)3 was utilized to access the strong oxidizing system Ga(OTeF5)3/Xe(OTeF5)2 in SO2ClF, which was successfully employed in the synthesis of the dimethyl chloronium salt [Cl(CH3)2][Ga(OTeF5)4], a strong electrophilic methylation reagent.
Ten‐year follow‐up of outcomes, patterns of care, and psychosocial burden in adolescent and young adult patients with bone sarcomas from a large cohort in a low‐income and middle‐income country
Authors: Bajpai Jyoti , Sarkar Laboni , Rath Sushmita , Chandrasekharan Arun , Panda Goutam , Jakar Dharmpal , Pawar Akash , Ghosh Jaya , Laskar Siddhartha , Rekhi Bharat , Khanna Nehal , Manjali Jifmi Jose , Ramadwar Mukta , Purandare Nilendu , Bhargava Prabhat , Chakrabarty Nivedita , Gala Kunal , Kembhavi Yogesh , Rangarajan Venkatesh , Banavali Shripad , Gupta Sudeep 
Published: September 2024

AbstractBackgroundThe care of adolescents and young adults (AYAs) with bone sarcomas involves unique challenges. The objectives of this study were to identify challenges and evaluate long‐term outcomes of these patients from India who received treatment with novel protocols.MethodsThis prospective cohort study included AYA patients (aged 15–39 years) with osteosarcoma and Ewing sarcoma (ES), who were treated uniformly at the authors' institute using unique protocols (OGS‐12 and EFT‐2001) from 2011 to 2021 and from 2013 to 2018, respectively.ResultsThe cohorts included 688 of 748 (91.9%) treatment‐naive AYA patients with osteosarcoma and 126 of 142 (88.7%) treatment‐naive AYA patients with ES. Among 481 of 561 patients (85.7%) who had nonmetastatic osteosarcoma treated according to protocol, at a median follow‐up of 59.7 months, the 5‐year event‐free survival (5‐EFS) rate was 58.6% (95% confidence interval, 54.1%–63.5%) and for 142 patients (20.6%) who had metastatic osteosarcoma, the 5‐EFS rate was 18.7%. The 5‐EFS rate was 66.4% and 21.9% for 104 patients (73%) with nonmetastatic ES and 38 patients (27%) with metastatic ES, respectively. Treatment‐naive patients had better outcomes, similar to compliance in the form of protocol completion (hazard ratio, 1.93 [p = .0043] and 2.66 [p < .0001], respectively. Only 230 of 377 (61.0%) male patients and 10 of 134 (7.4%) female patients reached out to fertility specialists. In addition, 17 of 161 (10.6%) eligible male survivors and 14 of 61 (22.9%) eligible female survivors got married posttreatment. Furthermore, 14 of 17 (82.4%) males and 14 of 14 (100%) females conceived. Among 311 patients who were working or attending school during diagnosis, greater than 90% had interruptions.ConclusionsHomogenous treatment with the OGS‐12 and EFT‐2001 protocols resulted in internationally comparable long‐term outcomes in the cohorts with nonmetastatic and metastatic AYA bone sarcomas. Treatment compliance, timely referral to sarcoma reference centers (avoiding prior inadvertent treatment), and streamlining fertility‐preservation practices constitute unmet needs that demand prioritization.
Deep Eutectic Solvent and Molten Salt‐Assisted Construction of Wheat Straw‐Derived N/O Co‐Doped Porous Carbon for Flexible Zinc‐Air Batteries
Authors: Deng Daijie , Wei Nan , Wu Suqin , Wang Zehui , Li Huaming , Xu Li , Li Henan 
Published: September 2024

AbstractAs a common biomass resource, wheat straw is gradually being derived as carbon materials for oxygen reduction reaction (ORR) in zinc‐air batteries (ZABs). Herein, the wheat straw‐derived carbon was prepared by ball milling and pyrolysis using deep eutectic solvent (DES) as the medium, which avoided the cumbersome procedures. The hydrogen bond of DES was utilized to reconstructed into a hydrogen bond network structure between DES and lignin/cellulose/hemicellulose of wheat straw. The hydrogen bond network structure was converted into N/O co‐doped porous carbon (N/O‐WSPC) with abundant N/O co‐doped sites after high‐temperature pyrolysis. Meanwhile, KHCO3 was employed to further generate hierarchical pore structures and increase the specific surface area of the N/O‐WSPC. The N/O co‐doped sites provided intrinsic ORR activity, while the porous structure facilitates the mass transfer effect. Therefore, the N/O‐WSPC exhibited a half‐wave potential of 0.87 V (vs. RHE) and a limiting current density of 5.98 mA cm−2 for ORR. The N/O‐WSPC‐based flexible ZAB displayed an energy density of 652.23 Wh kg−1 and a charging‐discharging cycle duration for over 19 h. The DES‐assisted strategy facilitates the sustainable and efficient application of wheat straw‐derived carbon materials in energy storage and conversion devices.
Behçet's disease modifies the gingival inflammatory response
Authors: Sahinkaya Selin , Yilmaz Melis , Yay Ekin , Toygar Hilal , Balci Nur , Altinisik Dursun Dorukhan , Kutlubay Zekayi , Kantarci Alpdogan 
Published: September 2024

AbstractBackgroundBehçet's disease (BD) pathogenesis involves severe outcomes such as blindness, central nervous system manifestations, and deep venous thrombosis that impacts systemic and local inflammatory changes. We tested the hypothesis that BD negatively affects gingival health and increases the severity of gingivitis.MethodsThe study included 37 BD patients with gingivitis without any sign of periodontitis. Systemically healthy 19 patients with gingivitis (G) and 20 periodontally and systemically healthy individuals (C) were recruited as controls. BD patients were further grouped as stable and unstable based on their responses to BD treatment. Clinical periodontal parameters were measured to determine the impact of BD on gingival health. Serum and saliva levels of ELA‐2 (neutrophil elastase‐2), SLPI (secretory leukocyte protease inhibitor), α1‐AT (alpha1‐anti‐trypsin), VEGF (vascular endothelial growth factor), IL‐6 (interleukin‐6), IL‐8 (interleukin‐8), and TNF‐α (tumor necrosis factor alpha) were analyzed using multiplex immunoassay to measure the systemic and local inflammatory impact of BD.ResultsPlaque index (PI), probing pocket depth (PPD), and bleeding on probing (BOP) were significantly higher in the BD group than in the controls (p < 0.05). IL‐6 was higher in both serum and saliva in the BD group than in the G group (p < 0.05). ELA‐2 levels in saliva were higher in the stable BD group than in the controls, while TNF‐α and SLPI were statistically significantly higher in BD than in the control (p < 0.05). Salivary α1‐AT level was statistically lower in the BD group compared to the control group.ConclusionOur study suggested that the gingival inflammatory profile was impaired in patients with BD.
Proportion of Patients With Ductal Carcinoma In Situ That Qualify for Observation Criteria Set Forth by Clinical Trials
Authors: McAdams Callie D. , Clevenger Nicholas , Nicholson Kyra , Pesce Catherine , Kopkash Katherine , Poli Elizabeth , Smith Thomas W. , Yao Katherine 
Published: September 2024

ABSTRACTBackgroundThe COMET, LORD, and LORIS clinical trials are investigating the role of active surveillance in low‐risk ductal carcinoma in situ (DCIS). The objective of this study was to identify the proportion of patients eligible for these trials amongst a cohort of patients treated at our institution.MethodsRetrospective chart review was performed of patients diagnosed with DCIS who were treated from 2013 to 2022. Clinical, tumor, and imaging inclusion and exclusion criteria of the aforementioned observation trials were applied to determine the proportion of patients eligible for each trial. Upgrade rate to invasive cancer were examined across all three groups.ResultsOf 1223 patients diagnosed with DCIS, applying the criteria of each trial, 245 (20%), 238 (19.4%), and 264 (21.6%) patients were eligible for the COMET, LORD, and LORIS trials, respectively. High‐grade DCIS and mass on imaging had the largest impact on exclusion. Nineteen (7.8%) of women who qualified for COMET were upgraded to invasive disease at excision, compared to 18 (7.6%) for LORD, and 19 (7.2%) for LORIS.ConclusionsOne in five patients diagnosed with DCIS at our institution would qualify for observation with current trial eligibility. Observation of DCIS may have limited impact on all DCIS patients.