bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fabrication of Free‐Standing Hybrid Composite High Capacity Cathodes for Li−S Batteries with Nickel Oxide Polysulfide Adsorbent
Authors: Adalı Cem , Günsel Hilal 
Published: November 2024

AbstractThis study focuses on enhancing lithium‐sulfur (Li−S) battery performance by using nickel(II) oxide (NiO), as polysulfide adsorbent to mitigate the shuttle effect. Polysulfides have been shown to effectively adsorb onto the hydrophilic surfaces of polar metal oxides and thus suppress this effect. In this work, a NiO – reduced Graphene Oxide/Sulfur (NiO‐rGO/S) hybrid composite paper was developed for use as a binder‐free, flexible cathode. The characterization of the composite films was done through Fourier transform infrared spectroscopy (FT‐IR), Raman spectroscopy, thermogravimetric analysis (TG), field emission gun scanning electron microscopy (FEG‐SEM), energy dispersive x‐ray spectroscopy (EDS) and x‐ray diffraction (XRD). To test adsorption of polysulfides by NiO, ultraviolet‐visible (UV‐Vis) spectroscopy was applied. Electrochemical performance tests of CR2032 cells were also conducted by cyclic voltammetry (CV), charge‐discharge tests, electrochemical impedance spectroscopy (EIS). The NiO‐rGO/S cathode, particularly the one containing 2 % NiO, exhibited remarkable performance. It delivered an initial discharge capacity of 1230 mAh g−1, maintaining 1029 mAh g−1 after 300 cycles, with a high capacity retention of 83.1 %. This suggests that the NiO‐rGO/S hybrid composite is a promising candidate for improving the efficiency and lifespan of Li−S batteries.
A Novel Methacryloyl–Masked NIR Fluorescent Probe for Detection of Cysteine and Its Application in Bioimaging
Authors: Sonawane Prasad M. , Jain Neha , Kim JunHyuk , Jeong Park Su , Mulay Sandip V. , Balasaheb Nimse Satish , Churchill David. G. 
Published: November 2024

AbstractCysteine (Cys) detection is recognized as an essential element in this investigation due to the critical function of Cys in several physiological processes in living organisms. A new NIR fluorescent probe SNC–Cys has been synthesized by incorporating a five‐membered malononitrile derivatized ring as an electron withdrawing group, and a methacryloyl group detection moiety for cysteine. After adding Cys, SNC–Cys shows an emission of 654 nm and further works as a “Turn–on” probe via ICT photomechanism. SNC–Cys has high sensitivity and selectivity for Cys (LOD=0.46 μM) and can discriminate it from other closely related amino acids, molecules with structural similarity, and in some cases very close functional group likeness. Thus, these results allow the effective imaging of Cys in living A549 cells which indicates good cell permeability and high applicability in live cell imaging. This study anticipates that SNC–Cys could be an aid in the detection of Cys–relevant diseases.
Parts‐Per‐Million Level Loading Cyclometalated Ru(II)‐NHC Catalyzed Selective Oxidation of Olefins to Carbonyls
Authors: Konwar Monuranjan , Das Tapashi , Das Animesh 
Published: November 2024

AbstractOxidative cleavage of olefins is a useful reaction in organic synthesis. The most well‐known catalytic system is the osmium based Lemieux‐Johnson catalyst, which generally requires high catalyst loading and tends to suffer from rapid overoxidation to produce the acid predominantly. Hence, the development of a mild, general, and selective method toward the oxidative cleavage of alkenes to carbonyl compounds is highly desired. In this work, a highly efficient ruthenium‐based catalyst for olefin oxidation has been demonstrated by employing a fused π‐conjugated imidazo[1,5‐a]quinoxaline (ImQx) based NHC ligand with bidentate C(carbanion) CNHC motif. Strong C‐donor ligands, paired with a rigid backbone and ruthenium redox activity, provided exceptionally high catalytic activity and a long lifetime for olefin oxidation. Complex showed high catalytic activity and a long lifetime, TONs are several million. The catalyst tolerates numerous functional groups and can be applicable to challenging biomass, natural products, sugar, amino acids, and fatty acid‐derived substrates. Based on kinetic studies, thermodynamic activation parameters, and DFT study, the mechanistic finding demonstrated that [3+2] cycloaddition reaction is the key step in the oxidation process. The use of the by‐product NaIO3 in the catalytic efficiency has been disclosed for the first time.
Correlation Between NMR Coupling Constants and σ‐Donating Properties of N‐Heterocyclic Carbenes and Their Derivatives
Authors: Gupta Radhika , Frison Gilles 
Published: November 2024

AbstractIs the 1JC−H coupling constant for protonated carbene a relevant measure of its σ‐donation ability? This paper addresses this question by comparing calculated 1JC−H values with various experimental and theoretical approaches across a broad spectrum of carbene compounds. We examined Arduengo‐type NHCs based on the 2‐imidazolylidene scaffold and many other derivatives with modified frameworks, including carbenes with extended, saturated, or conjugated rings, reduced heteroatom stabilization, alternative heteroatoms, permanently charged carbenes, acyclic carbenes, amidocarbenes, and cyclic amino(alkyl/aryl) carbenes, carbodicarbenes and carbodiphosphoranes. Our findings reveal a nuanced relationship between different parameters associated with σ‐interaction, such as 1JC−H, Huynh electronic parameter (HEP), σ‐donation from ETS‐NOCV, and lone pair energy. Notably, the best correlation was observed between 1JC−H and the ETS‐NOCV method, particularly for mono‐ and diaminocarbenes, highlighting the utility of 1JC−H in comparing σ‐donation among structurally similar carbene types. However, the use of 1JC−H as a universal measure across all carbene classes appears limited, especially when considering carbenes with significantly different structural frameworks. While HEP is less effective for carbenes with diverse structural backbones, our study suggests that 1JC−H has potential across a broader range of systems. Additionally, the analysis demonstrates that lone pair energy reflects basicity rather than σ‐donor ability.
Two‐Dimensional Janus p‐n Heterojunction of Co3O4 and CoMoO4 for Boosting Photocatalytic Oxidative Desulfurization
Authors: Wang Dongxiao , Lan Zheng , Li Yue , Huang Ying , Yin Kun , Yang Lixia , Bai Liangjiu , Wei Donglei , Yang Huawei , Chen Hou , Luo Mingchuan 
Published: November 2024

Comprehensive SummaryPhotocatalytic aerobic oxidative desulfurization (PAODS) is a sustainable alternative technology to traditional, energy‐intensive fuel desulfurization methods. Nonetheless, its advancement is hindered by the notable challenge of inadequate electron‐hole separation efficiency within the existing catalytic systems. Herein, a Janus 2D/2D heterostructure composed of Co3O4 and CoMoO4 is reported for the PAODS of thiophenic sulfides. Through a combination of detailed experimental characterizations and density functional theory (DFT) calculations, we elucidate the formation of a type II p‐n heterojunction in the catalyst, significantly enhancing electron‐hole separation through electric field force and reducing the possibility of electron‐hole recombination due to the spatial separation of redox centres. The photocatalyst exhibits exceptional activity and demonstrates an impressive performance of 10.4 mmol·g–1·h–1 in the oxidation of dibenzothiophene (DBT). Moreover, the photocatalyst demonstrates profound desulfurization capabilities in real diesel, reinforcing its promising prospects for industrial application. These discoveries provide invaluable insights, both scientifically and practically, towards the development of advanced photocatalysts for PAODS processes.
Tailoring Na+ Diffusion Kinetics and Structural Stability of P2‐Layered Material by W‐Lattice Doping†
Authors: Fan Hang , Xu Lei , Lei Ying , Li Jianying , Huang Tinghong , Fan Weifeng , Zhang Yun 
Published: November 2024

Comprehensive SummaryThe pursuit of advanced sodium‐ion batteries (SIBs) has been intensified due to the escalating demand for sustainable energy storage solutions. A W‐doped P2‐type layered cathode material, Na0.67Ni0.246W0.004Mn0.75O2 (NNWMO), has been developed to address the limitations of traditional cathode materials. Compared to the pristine Na0.67Ni0.25Mn0.75O2 (NNMO), NNWMO exhibits improved reversible capacity, excellent cycle performance, and remarkable rate performance. It can deliver an increased discharge capacity of 142.20 mAh/g at 0.1 C, with an admirable capacity retention of 80.5% after 100 cycles at high voltage. In situ XRD results demonstrate that the rivet effect related to the strong W—O bonds inhibits irreversible phase transition and enhances structural reversibility during charge/discharge processes. High‐resolution scanning transmission electron microscopy and X‐ray diffraction results confirm successful lattice doping of W6+ and increased layer spacing, contributing to favorable sodium ion diffusion kinetics. Density‐functional theory (DFT) calculation results further reveal that the smoother Na+ ion diffusion dynamics is attributed to the reduced migration energy barrier of Na+ with the insertion of W6+. This study provides valuable insights into the design of high‐performance cathode materials for next‐generation SIBs, showcasing the potential for more efficient, stable, and enduring energy storage solutions.
Commercial Blue Textile Dye Decolorization Using Aspergillus oryzae RH1 Isolated From Fermented Miso
Authors: Handersen Ricky , Wijaya Joan Christie , Victor Hans , Purnomo Jonathan Suciono , Cornelia Melanie , Kiranadi Bambang , Pakpahan Eduwin , Pinontoan Reinhard 
Published: November 2024

AbstractThe improper treatment of effluents from the textile industry is associated with severe health and environmental hazards. This study aimed to isolate and characterize miso‐paste fungi that can decolorize commercial blue textile dyes (identified as Reactive Violet 5 [RV5] through spectral comparison). Response surface methodology (RSM) was employed to determine the optimal decolorization conditions, whereas molecular docking was performed to propose an enzymatic degradation mechanism. One colony, displaying the typical morphological characteristics of Aspergillus oryzae common in miso‐paste starters, exhibited high decolorization potential for RV5. Validation of the RSM analysis using whole fungus A. oryzae RH1 revealed a decolorization performance of 92.33% under the following optimized conditions: 33°C, pH 6.2, dye concentration of 200 ppm, and incubation period of 6 days. The optimal conditions for dye degradation via enzymatic catalysis, with peroxidase as the enzyme, were 51°C and pH 3.0, resulting in a decolorization performance of 48.95% after 60 min of incubation. Molecular docking analysis suggested that the DyP‐type peroxidase produced by A. oryzae RH1 can oxidize the azo bond, which is the chromophore group of RV5. In addition, biosorption was found to play a significant role in the decolorization of A. oryzae RH1. Altogether, these findings lay the basis for the use of A. oryzae RH1 in bioreactor systems for textile wastewater treatment.
Changes in Emotion Regulation During the Course of Dialectical Behaviour Therapy: Effects on Non‐Suicidal Self‐Injury and Binge Eating Across Two Samples
Authors: Harris Lauren M. , Weiss Emily R. , Davis Margaret T. , Daniel Thomas Alex , Hart‐Derrick Victoria R. , Barnes Sarah , Cawood Chelsea D. 
Published: November 2024

ABSTRACTDialectical Behaviour Therapy (DBT) has demonstrated effectiveness in reducing harmful behaviours associated with emotion dysregulation, including non‐suicidal self‐injury (NSSI) and binge eating. It has been hypothesized that the effects of DBT on NSSI and binge eating are the result of improvements in emotion regulation (ER); however, the extent to which changes in ER account for reductions in these behaviours is unclear. The present study leverages two unique clinical samples to examine the degree to which changes in ER influence changes in the frequency of NSSI and binge eating over the course of DBT. Participants included 189 Veterans receiving outpatient DBT and 117 civilians enrolled in a DBT Intensive Outpatient Program. Analyses examined changes in ER, binge eating and NSSI over the course of treatment, as well as the extent to which NSSI and binge eating frequency were influenced by changes in ER. In the Veteran sample, DBT led to improvements in ER abilities and significant reductions in NSSI and binge eating; however, changes in ER did not account for observed reductions in NSSI or binge eating. In the civilian sample, the effects of DBT on ER, NSSI and binge eating were nonsignificant. Our findings suggest that ER may not be the only mechanism through which DBT exerts its effects on NSSI and binge eating. The effects of DBT on ER and self‐damaging behaviours may vary based on factors such as treatment setting, time in treatment and clinical severity of the sample.
The Fluorescent Amyloid Ligand X34 Binding to Transthyretin (TTR) Tetramer and Fibrils: FRET and Binding Constants of a Sequential Two‐step Process
Authors: Sundnes Marikken , Swaminathan Priyanka , Lindgren Mikael , Mohite Ganesh , Hellstrand Ebba , Nyström Sofie , Hammarström Per 
Published: November 2024

AbstractThe amyloidogenic homotetrameric plasma protein transthyretin (TTR) has an affinity for bicyclic small molecule ligands in its two thyroxine (T4) binding sites. We have shown that native tetrameric TTR binds to amyloid ligands based on the trans‐stilbene scaffold. The fluorescent Congo‐red analogue, X34, is a symmetric bi‐trans‐stilbene that contains two salicylic acid motifs. We used fluorescence spectroscopy methods to interrogate X34 binding to the TTR tetramer and fibril. We discovered two binding sites in both TTR forms by tryptophan FRET, ligand self‐quenching, Stern‐Volmer plots and binding curves, for the latter including the competitive ligand diflunisal. X34 binds with the similar affinity as diflunisal in the first binding site (Kd1=150 nM), and negative cooperativity renders the binding to the second site with lower affinity very similar compared to diflunisal (Kd2= 1.1 μM). This behavior is coherent with the salicylic acid moiety of diflunisal binding into the binding pocket of TTR (reverse mode). Interestingly X34 binding to TTR fibrils was also well fitted to two binding sites, however with overall lower affinity (Kd1=1.2 μM; Kd2=2.1 μM) compared to binding to the native tetramer. X34 fluorescence when bound to TTR‐fibrils was significantly blue shifted compared to binding to the TTR‐tetramer.
Higher Prevalence of Tooth Loss in People With Abdominal Obesity but Normal Weight: Findings From the United States and Scottish Populations
Authors: Kang Jing , Larvin Harriet , Pavitt Sue , Wu Jianhua 
Published: November 2024

ABSTRACTObjectivesPrevious research has shown that people with obesity are at a higher risk of tooth loss; however, it is unclear whether abdominal obesity (e.g., high waist circumference) is associated with tooth loss among individuals without obesity. This study aims to investigate the association between abdominal obesity and tooth loss among people who are not obese.Material and MethodsTwo cross‐sectional surveys were used: the United States' National Health and Nutrition Examination Survey (NHANES) 1999–2012 (n = 19,436) and the Scottish Health Survey (SHeS) 2008–2014 (n = 4243). Tooth loss was measured by the number of remaining teeth: 20 and over, 1–19, and edentulous. Abdominal obesity was defined by categorizing waist circumference into three levels: normal, high, and very high. Ordinal logistic regression was used to model the association between tooth loss and abdominal obesity.ResultsFor people living without obesity, abdominal obesity is associated with a higher prevalence of tooth loss, and the effect is different between women and men. For women, abdominal obesity increased the chance of tooth loss by 64% (odds ratio [OR]: 1.64, 95% confidence interval [CI]: 1.16–2.34) in the NHANES and 196% (OR: 2.96, 95% CI: 1.47–5.97) in the SHeS. For men, abdominal obesity increased the chance of tooth loss by 41% (OR: 1.41, 95% CI: 1.06–1.87) in the NHANES and 65% (OR: 1.65, 95% CI: 1.02–2.73) in the SHeS.ConclusionsThis study indicated that the prevalence of tooth loss is substantially higher in people with abdominal obesity, and this association is distinctively different between men and women. These findings suggest that those who are not obese but have abdominal obesity may be an important target population for oral health prevention strategies.
Exploiting Acetal Moieties for the Synthesis of Degradable‐On‐Demand Polymeric Architectures
Authors: Romano Angela , Frattini Stefano , Miani Roberto , Gioia Claudio , Celli Annamaria , Sisti Laura 
Published: November 2024

AbstractDeveloping polymers with labile bonds has attracted increasing attention since it can favor the chemical recycling into oligomers or even the starting monomers that could be recovered and re‐used. Different chemical bonds can break upon exposure to external stimuli, such as thermal, UV, or chemical triggers. Among these, the acetal bond can degrade under mild acidic conditions. This study focuses on the synthesis of polymers constituted by acetal moieties suitable for triggered depolymerization. In particular, the solvent‐less polyaddition of 1,4‐butanediol and 1,4‐butanediol divinyl ether was developed and optimized using a heterogeneous catalyst (Amberlyst 15) at 100 °C. The best reaction conditions in terms of catalyst loading and reagent ratio were determined through a Design‐of‐Experiment aiming to achieve high conversion, low polydispersity, and desirable molecular weight. The resulting material presented an amorphous character and thermal stability up to 220 °C. It was confirmed responsive in an acidic environment, being completely hydrolyzed in 42 days, while remaining stable at neutral and basic pH. The obtained results represent a proof of concept for the design of pH‐responsive materials through solventless, and scalable processes. The acetal moiety may be further exploited to achieve architectures presenting a sustainable end‐of‐life by implementing a recycling‐by‐design approach for new adhesives or novel degradable thermosetting materials.
On the Modeling of Inverse Memristor With Completely Explicit Memory Description: A Memorized Dielectric Relaxation Analogy‐Based Approach
Authors: Banchuin Rawid 
Published: November 2024

ABSTRACTIn this work, a memorized dielectric relaxation analogy‐based model of inverse memristor has been proposed. In contrast to the previous models, a completely explicit memory description of the inverse memristor can be achieved by ours. The proposed model has been found to be well applicable to the practical inverse memristors of both current and voltage‐controlled types where the basic properties of inverse memristor have been preserved and the strong agreements between the model‐based results and their circuit‐based benchmarks can be observed. Based on our model, a rigorous analysis of inverse memristor has been performed to give a mathematical discussion on the simulation results. The power and energy consumption aspects have also been analyzed. In addition, the effect of parasitic element has been explored and it has been found that the inverse memristor realized based on our model is more robust to such undesired effect than those realized based on the others. This is another virtue of the proposed model. The realization methodology of the inverse memristor circuit based on our model with off‐the‐shelf components and the extension of the model toward the inverse memcapacitor and inverse meminductor have also been given.
Design of a Univariate Dual‐Loop Voltage System Based on the Multisampling Method
Authors: Yu Jian , Li Yanlin , Niu Aohui , Shi Zhiyuan , Hao Yulong 
Published: November 2024

ABSTRACTThis study presents an innovative control framework designed for voltage source inverters (VSIs) equipped with LC output filters. The objective of this control framework is to reduce delay and suppress aliasing effects by employing multisampling techniques and implementing repetitive filtering methods. The multisampling approach can significantly reduce control delays, thereby enhancing both the bandwidth and stability margins of the system. The implementation of multisampling techniques for inverter voltage can enhance dynamic performance. However, it may introduce high‐frequency ripples in the control loop, resulting in low‐order aliasing harmonics and ultimately leading to output voltage distortion. To address this issue, a multiple notch filter with minimal phase delay is employed suppress aliasing. The optimal parameters of the system are determined by evaluating the filter specifications, filtering effectiveness, output voltage ripple, and overall system performance, while also considering the actual filtering requirements and circuit size. Its effectiveness and performance are carefully verified by experimental results.
A Distributed Mobile Edge Computing Based Dynamic Resource Allocation in 5G Network Using Green Anaconda Optimization Based Deep Learning Network
Authors: C Selvan , Govinda Rajulu G. , Padmanaban K. , Aghalya S. 
Published: November 2024

ABSTRACTMobile edge computing (MEC) facilitates storage, cloud computing, and analysis capabilities near to the users in 5G communication systems. MEC and deep learning (DL) are combined in 5G networks to enable automated network management that provides resource allocation (RA), energy efficiency (EE), and adaptive security, thereby reducing computational costs and enhancing user services. A hybrid quantum‐classical convolutional neural network (HQCCNN) with simplicial attention network (SAN) is presented in the study that allocates appropriate resources for various users in the network. First, the green anaconda optimization (GAO) algorithm is used to optimize the objective function for effective RA. Consequently, the neural network receives the optimized objective functions to allocate resources. In the study, the suggested HQCCNN‐GAO model assesses the degree of need for every user and, based on those needs, allots resources to every user in the 5G network while preserving higher throughput and EE. Throughput, latency, mean square errors, processing time, bit error rates, and EE are used to measure the proposed model's efficiency. A few of the RA models that are now in use are contrasted with the outcomes of the suggested method. From the obtained outcomes, it is noticed that the suggested model provides a low latency of 0.08 s and a high throughput of 790 kbps for a range of network users.