bluuebunny/crossref_metadata_2025_split huggingface dataset:
Coexistent frontal fibrosing alopecia with ophiasis pattern alopecia areata in a young female: A case report and review of the literature
Authors: Babaei Mahsa , Rokni Ghasem Rahmatpour , Montazer Fatemeh , Gholizadeh Nasim 
Published: July 2024

Key Clinical MessageThis study highlights the possibility of coexistent Frontal Fibrosing Alopecia and ophiasis pattern Alopecia Areata especially in young females which is a rare manifestation. A concomitant shared pathophysiology is suspected to underlie this association.
Exploring the Esterase Catalytic Activity of Minimalist Heptapeptide Amyloid Fibers
Authors: Roldan L. , Rodríguez‐Santiago L. , Didier‐Marechal J. , Sodupe M. 
Published: July 2024

AbstractThis paper investigates the esterase activity of minimalist amyloid fibers composed of short seven‐residue peptides, IHIHIHI (IH7) and IHIHIQI (IH7Q), with a particular focus on the role of the sixth residue position within the peptide sequence. Through computational simulations and analyses, we explore the molecular mechanisms underlying catalysis in these amyloid‐based enzymes. Contrary to initial hypotheses, our study reveals that the twist angle of the fiber, and thus the catalytic site's environment, is not notably affected by the sixth residue. Instead, the sixth residue interacts with the p‐nitrophenylacetate (pNPA) substrate, particularly through its −NO2 group, potentially enhancing catalysis. Quantum mechanics/molecular mechanics (QM/MM) simulations of the reaction mechanism suggest that the polarizing effect of glutamine enhances catalytic activity by forming a stabilizing network of hydrogen bonds with pNPA, leading to lower energy barriers and a more exergonic reaction. Our findings provide valuable insights into the intricate interplay between peptide sequence, structural arrangement, and catalytic function in amyloid‐based enzymes, offering potentially valuable information for the design and optimization of biomimetic catalysts.
Novel Benzothiadiazole‐based Donor‐Acceptor Systems: Synthesis, Ultrafast Charge Transfer and Separation Dynamics
Authors: Das Somnath , Rout Yogajivan , Poddar Madhurima , Alsaleh Ajyal Z. , Misra Rajneesh , D'Souza Francis 
Published: July 2024

AbstractNear‐infrared (NIR) absorbing electron donor‐acceptor (D−A) chromophores have been at the forefront of current energy research owing to their facile charge transfer (CT) characteristics, which are primitive for photovoltaic applications. Herein, we have designed and developed a new set of benzothiadiazole (BTD)‐based tetracyanobutadiene (TCBD)/dicyanoquinodimethane (DCNQ)‐embedded multimodular D−A systems (BTD1‐BTD6) and investigated their inherent photo‐electro‐chemical responses for the first time having identical and mixed terminal donors of variable donicity. Apart from poor luminescence, the appearance of broad low‐lying optical transitions extendable even in the NIR region (>1000 nm), particularly in the presence of the auxiliary acceptors, are indicative of underlying nonradiative excited state processes leading to robust intramolecular CT and subsequent charge separation (CS) processes in these D−A constructs. While electrochemical studies identify the moieties involved in these photo‐events, orbital delocalization and consequent evidence for the low‐energy CT transitions have been achieved from theoretical calculations. Finally, the spectral and temporal responses of different photoproducts are obtained from femtosecond transient absorption studies, which, coupled with spectroelectrochemical data, identify broad NIR signals as CS states of the compounds. All the systems are found to be susceptible to ultrafast (~ps) CT and CS before carrier recombination to the ground state, which is, however, significantly facilitated after incorporation of the secondary TCBD/DCNQ acceptors, leading to faster and thus efficient CT processes, particularly in polar solvents. These findings, including facile CT/CS and broad and intense panchromatic absorption over a wide window of the electromagnetic spectrum, are likely to expand the horizons of BTD‐based multimodular CT systems to revolutionize the realm of solar energy conversion and associated photonic applications.
Elucidating Mechanism and Selectivity in Pyridine Functionalization Through Silylium Catalysis
Authors: Shen Yanling , Zhang Yan , Zhang Cefei , Li Haoze , Hu Changwei , Yu Zhipeng , Zheng Ke , Su Zhishan 
Published: July 2024

AbstractThe functionalization of aromatic N‐heterocycles through silylium activation demonstrates exceptional selectivity and efficiency. Density functional theory (DFT) calculations unveil the detailed silylium catalysis mechanism and elucidate the origins of selectivity in this reaction. The phosphoramidimidate sulfonamide (PADI) precatalyst orchestrates of the catalytic cycle via three elementary steps. The Brønsted acidity of precatalyst significantly influences both the formation of silylium‐based Lewis acid active species and the silylium activation of pyridine. Unlike disulfonimide (DSI)‐type precatalysts, both Tf2NH and PADI precatalysts with strong acidities can easily promote the generation of activated silylium pyridine species. A semi‐enclosed ′rigid’ electronegative cavity in PADI‐type anions constructs a well‐defined recognition site, facilitating engagement with the positively charged silylium pyridine species. Due to the high electrophilicity and less steric demand at the C4‐position of the pyridine substrate, the product with C4‐regioselectivity was predominantly generated.
Anions as Lewis Acids in Noncovalent Bonds
Authors: Scheiner Steve 
Published: July 2024

AbstractThe ability of an anion to serve as electron‐accepting Lewis acid in a noncovalent bond is assessed via DFT calculations. NH3 is taken as the common base, and is paired with a host of ACln− anions, with central atom A=Ca, Sr, Mg, Te, Sb, Hg, Zn, Ag, Ga, Ti, Sn, I, and B. Each anion reacts through its σ or π‐hole although the electrostatic potential of this hole is quite negative in most cases. Despite the contact between this negative hole and the negative region of the approaching nucleophile, the electrostatic component of the interaction energy of each bond is highly favorable, and accounts for more than half of the total attractive energy. The double negative charge of dianions precludes a stable complex with NH3.
Carbon Management – From Vision to Industrial Application
Authors: Müller Torsten 
Published: July 2024

AbstractCarbon is a key element in industrial production, but CO2 is also a greenhouse gas whose release into the atmosphere must be avoided. If its generation cannot be avoided for process‐related reasons, then a comprehensive carbon management is required to enable climate‐neutral production in industry. In the Carbon2Chem® project, partners from industry and science are successfully researching technical components that enable the implementation of concepts for CO2 capture and utilization (CCU) as part of carbon management.
Risk assessment of gas pipeline using an integrated Bayesian belief network and GIS: Using Bayesian neural networks for external pitting corrosion modelling
Authors: Woldesellasse Haile , Tesfamariam Solomon 
Published: July 2024

AbstractCorrosion poses a great risk to the integrity of oil and gas pipelines, leading to substantial investments in corrosion control and management. Several studies have been conducted on accurately estimating the maximum pitting depth in oil and gas pipelines using available field data. Some of the frequently employed machine learning techniques include artificial neural networks, random forests, fuzzy logic, Bayesian belief networks, and support vector machines. Despite the ability of machine learning methods to address a variety of problems, traditional machine learning methods have evident limitations, such as overfitting, which can diminish the model's generalization capabilities. Additionally, traditional machine learning models that provide point estimations are incapable of addressing uncertainties. In the current study, a Bayesian neural network is proposed to include uncertainty in estimating the corrosion defect of a pipeline exposed to external pitting corrosion. The results are then incorporated into a Bayesian belief network for evaluating the probability of failure and its corresponding consequences in terms of social impact, thus forming a comprehensive risk assessment framework. The results of the Bayesian neural network are validated using field data and achieved a testing accuracy of 90%. The framework of the study offers a powerful decision‐making tool for the integrity management of pipelines against external corrosion.
Peptide Nucleic Acids: From Origami to Editing
Authors: Carson Liam M. , Watson Emma E. 
Published: July 2024

AbstractPeptide nucleic acids (PNAs) combine the programmability of native nucleic acids with the robustness and ease of synthesis of a peptide backbone. These designer biomolecules have demonstrated tremendous utility across a broad range of applications, from the formation of bespoke biosupramolecular architectures to biosensing and gene regulation. Herein, we explore some of the key developments in the application of PNA in chemical biology and biotechnology in the last 5 years and present anticipated key areas of future development.
Thermodynamic Reaction Study of Conversion of H2S and CO2 and the Promoting Effect of Light on the Reaction
Authors: Duan Yuangang , Yu Shan , He Zhen , Huang Jingyuan , Wang Fushen , Fu Mengyao , Huang Zeai , Zhou Ying 
Published: July 2024

AbstractH2S and CO2 are common coexisted gases widely existing in natural gas resources, and they need to be treated harmlessly. The traditional Claus treatment process only focuses on H2S treatment but ignores CO2. This article systematically conducted theoretical thermodynamic research on the thermocatalytic conversion of H2S and CO2. It was found that increasing the reaction temperature and H2S ratio would have a positive impact on the reaction, while increasing the pressure would lead to a decrease in the conversion rate of reactants and product yield, and introducing COS into the feed gas could have a promoting effect on the reaction. Furthermore, 5 %Mo/Al2O3 catalyst was used to preliminarily explore the thermal and photothermal catalysis for H2S and CO2 conversion. The results showed that the photothermal catalysis significantly promoted the production of syngas (H2 and CO), and suppressed COS production in contrast to thermal catalysis. This indicates that the introduction of light could effectively convert H2S and CO2 into high‐value product syngas, providing important reference value for further research on the conversion of H2S and CO2.
C−H Functionalization of Heteroarenes via Electron Donor‐Acceptor Complex Photoactivation
Authors: Mondal Madhusudan , Ghosh Sumit , Lai Dipti , Hajra Alakananda 
Published: July 2024

AbstractC−H Functionalization of heteroarenes stands as a potent instrument in organic synthesis, and with the incorporation of visible light, it emerged as a transformative game‐changer. In this domain, electron donor‐acceptor (EDA) complex, formed through the pairing of an electron‐rich substrate with an electron‐accepting molecule, has garnered substantial consideration in recent years due to the related avoidance of the requirement of photocatalyst as well as oxidant. EDA complexes can undergo photoactivation under mild conditions and exhibit high functional group tolerance, making them potentially suitable for the functionalization of biologically relevant heteroarenes. This review article provides an overview of recent advancements in the field of C−H functionalization of heteroarenes via EDA complex photoactivation with literature coverage up to April, 2024.
Development and analysis of small Multi Input Multi Output antenna with better isolation for Frequency Range‐2 5th Generation band applications
Authors: Raj Tej , Mishra Ranjan , Kapoor Ankush , Bhunia Sunandan , Kundu Surajit 
Published: July 2024

SummaryA simple planar wideband four‐port MIMO antenna of size 2.75𝜆l × 2.75𝜆l × 0.04𝜆l (𝜆l is the wavelength when fl is 24.26 GHz) with high isolation that offers the 24.26 to 30.2 GHz bandwidth covering the 5G FR‐2 spectrums is proposed in this work. Total fractional bandwidth of 21.8% has been achieved that covers the n257 (26.5 to 29.5 GHz), n258 (24.25 to 27.5 GHz), and n261 (27.5 to 28.35 GHz) 5G spectrums. Popular rectangular radiator‐based 4‐port MIMO antenna with symmetric stubs loaded parallel to feed line and tapered semi‐circular cut in the lower corners of patch is incorporated that exhibits an excellent isolation that is below −27 dB through the entire spectrum and the extreme realized separation is −40 dB. The projected MIMO radiator is premeditated on RT/duroid 5880 of 0.508 mm depth and permittivity (εr) of 2.2. The maximum radiation efficiency and gain of the proposed antenna are 93.07% and 6.48 dBi, respectively. The MIMO antenna parameters such as envelope correlation coefficient (ECC) were achieved lesser than 0.003, diversity gain (DG) was achieved around 10 dB, channel capacity loss (CCL) was achieved lower than 0.15 bits/s/Hz, and mean effective gain (MEG) was achieved between −3.6 dB and −3 dB throughout the impedance band, which exhibit the excellent MIMO properties, and thus, the projected antenna is appropriate for 5G/beyond 5G wireless technologies.
Delimiting species, revealing cryptic diversity, and population divergence in Qinghai‐Tibet Plateau weevils through DNA barcoding
Authors: Ren Jinliang , Ren Li , Zhang Runzhi 
Published: July 2024

AbstractThe Leptomias group represents one of the most diverse taxonomic group of weevils in the Qinghai‐Tibet Plateau and its adjacent areas. Despite the potential of hidden diversity, relatively few comprehensive studies have been conducted on species diversity in this taxonomic group. In this study, we performed DNA barcoding analysis for species of the Leptomias group using a comprehensive DNA barcode dataset that included 476 sequences representing 54 morphospecies. Within the dataset, our laboratory contributed 474 sequences, and 390 sequences were newly generated for this study. The average Kimura 2‐parameter distances among morphospecies and genera were 0.76% and 19.15%, respectively. In 94.4% of the species, the minimum interspecific distances exceeded the maximum intraspecific distances, indicating the presence of barcode gaps in most species of Leptomias group. The application of Automatic Barcode Gap Discovery, Assemble Species by Automatic Partitioning, Barcode Index Number, Bayesian Poisson tree processes, jMOTU, and Neighbor‐joining tree methods revealed 45, 45, 63, 54, and 55 distinct clusters representing single species, respectively. Additionally, a total of four morphospecies, Leptomias kangmarensis, L. midlineatus, L. siahus, and L. sp.9RL, were found to be assigned to multiple subclade each, indicating the geographical divergences and the presence of cryptic diversity. Our findings of this study demonstrate that Qinghai‐Tibet Plateau exhibits a higher species diversity of the Leptomias group, and it is imperative to investigate cryptic species within certain morphospecies using integrative taxonomic approaches in future studies. Moreover, the construction of a DNA barcode reference library presented herein establishes a robust foundational dataset to support forthcoming research on weevil taxonomy, phylogenetics, ecology, and evolution.
Species identification of livefood flightless fly (Torinido‐shoujoubae) through DNA barcoding
Authors: Nakagawa Koh , Ogino Kaoru , Katoh Takehiro K. , Kono Nobuaki 
Published: July 2024

AbstractTorinido‐shoujoubae, as it is called in Japanese, is a flightless Drosophila sp. that is sold commercially in Japan. This Drosophila sp. is often used as feeds for model organisms such as reptiles and spiders. There is no scientific name provided for the fruit fly that is known as Torinido‐shoujoubae, as well as any historical background or data behind this species. There has been a previous study that was conducted through morphological characteristics analysis of the body as well as the male copulatory organ and has been estimated as Drosophila hydei. The objective of this study was to determine the species of this unidentified fly known as Torinido‐shoujoubae based on a molecular evidence with a DNA barcoding. Samples were purchased from four separate suppliers to examine whether there are any differences between them. COI regions were amplified using PCR and the sequenced results were aligned against two databases, NCBI and BOLD. Torinido‐shoujoubae samples provided from all suppliers were confirmed to be D. hydei.
Phylogenetic indices and temporal and spatial scales shape the neighborhood effect on seedling survival in a mid‐mountain moist evergreen broad‐leaved forest, Gaoligong Mountains, Southwestern China
Authors: Wang Liping , Wu Junjie , Chai Yong , Sun Jiwen , Yu Xiaoli , Feng Zhe , Chen Fengxian 
Published: July 2024

AbstractDensity dependence and habitat filtering have been proposed to aid in understanding community assembly and species coexistence. Phylogenetic relatedness between neighbors was used as a proxy for assessing the degree of ecological similarity among species. There are different conclusions regarding the neighborhood effect in previous studies with different phylogenetic indices or at different spatiotemporal scales. However, the effects of density dependence, neighbor phylogenetic relatedness, and habitat filtering on seedling survival with different phylogenetic indices or at different temporal and spatial scales are poorly understood. We monitored 916 seedlings representing 56 woody plant species within a 4‐ha forest dynamics plot for 4 years (from 2020 to 2023) in a subtropical mid‐mountain moist evergreen broad‐leaved forest in the Gaoligong Mountains, Southwestern China. Using generalized linear mixed models, we tested whether and how four phylogenetic indices: total phylogenetic distance (TOTPd), average phylogenetic distance (AVEPd), relative average phylogenetic distance (APd′), and relative nearest taxon phylogenetic distance (NTPd′), three temporals (1, 2, and 3 years), and spatial scales (1, 2, and 4 ha) affect the effect of density dependence, phylogenetic density dependence, and habitat filtering on seedling survival. We found evidence of the effect of phylogenetic density dependence in the 4‐ha forest dynamics plot. The effects of density dependence, phylogenetic density dependence, and habitat filtering on seedling survival were influenced by phylogenetic indices and temporal and spatial scales. The effects of phylogenetic density dependence and habitat filtering on seedling survival were more conspicuous only at 1‐year intervals, compared with those at 2‐ and 3‐year intervals. We did not detect any effects of neighborhood or habitat factors on seedling survival at small scales (1 and 2 ha), although these effects were more evident at the largest spatial scale (4 ha). These findings highlight that the effects of local neighborhoods and habitats on seedling survival are affected by phylogenetic indices as well as temporal and spatial scales. Our study suggested that phylogenetic index APd′, shortest time scale (1 year), and largest spatial scales (4 ha) were suitable for neighborhood studies in a mid‐mountain moist evergreen broad‐leaved forest in Gaoligong Mountains. Phylogenetic indices and spatiotemporal scales have important impacts on the results of the neighborhood studies.
TGF‐β1 impairs IgA class switch recombination and production in porcine Peyer's patches B cells
Authors: Wang Caiying , Zhang Yue , Lu Yabin , Huang Xin , Jiang Huazheng , Chen Guohui , Shao Yongheng , Savelkoul Huub F.J. , Jansen Christine A. , Liu Guangliang 
Published: July 2024

AbstractSecretory IgA is crucial for preventing the invasion of entero‐pathogens via intestinal mucosa. While it is well‐established that Transforming growth factor β1 (TGF‐β1) regulates IgA production in human and mouse B cells, our previous investigation revealed different functions of TGF‐β1 in IgA generation in pigs compared with humans and mice, with the underlying mechanism remaining elusive. In this study, IgM+ B cells from porcine Peyer's patches (PPs) were isolated and stimulated with recombinant porcine TGF‐β1 to evaluate the effect of TGF‐β1 on pigs. The results showed that antibody production from B cells of PPs was impaired by TGF‐β1 ex vivo. Furthermore, TGF‐β1 treatment led to a decrease in the expression of germ‐line transcript αand postswitch transcript α. Moreover, we observed that TGF‐β1 predominantly inhibited the phosphorylation of p38‐mitogen‐activated protein kinases (MAPK), confirming the involvement of the p38‐MAPK pathway in porcine IgA generation and IgA class switch recombination. The application of p38‐MAPK inhibitor resulted in decreased B‐cell differentiation levels. Collectively, this study demonstrates that exogenous TGF‐β1 restrains the production and class switch recombination of IgA antibodies by inhibiting p38‐MAPK signaling in porcine PPs B cells, which may constitute a component of TGF‐β1‐mediated inhibition of B‐cell activation.
Possibility of using the imaged capillary isoelectric method as a multi‐attribute method for bispecific antibodies
Authors: Wu Gang , Du Jialiang , Xu Gangling , Li Meng , Yu Chuanfei 
Published: July 2024

AbstractAn imaged capillary isoelectric focusing (icIEF)‐based method was developed and validated as a multi‐attribute method for a bispecific antibody (BsAb). First, as the traditional application of the icIEF method, it serves as an identity assay and purity assay for the BsAb. Second, the method can also be used as an impurity assay for the homodimer monoclonal antibodies generated during BsAb assembly. The homodimer impurity analysis for BsAb is usually done by hydrophobic interaction chromatography methods in the industry. The icIEF method has good sensitivity (down to 4 µg/mL in a limit of quantitation) when UV fluorescence detection is used, which detects the native fluorescence of proteins. This is the first report that an icIEF method has been applied as impurity assay.
Amorphous carbon intercalated MoS2 nanosheets embedded on reduced graphene oxide for excellent high‐rate and ultralong cycling sodium storage
Authors: Xu Jun , Jiang Junbao , Cao Shoufu , Li Suwan , Ma Yuanming , Chen Junwei , Zhang Yan , Lu Xiaoqing 
Published: July 2024

AbstractMoS2 as a typical layered transition metal dichalcogenide (LTMD) has attracted considerable attention to work as sodium host materials for sodium‐ion batteries (SIBs). However, it suffers from low semiconducting behavior and high Na+ diffusion barriers. Herein, intercalation of N‐doped amorphous carbon (NAC) into each interlayer of the tiny MoS2 nanosheets embedded on rGO conductive network is achieved, resulting in formation of rGO@MoS2/NAC hierarchy with interoverlapped MoS2/NAC superlattices for high‐performance SIBs. Attributed to intercalation of NAC, the resulting MoS2/NAC superlattices with wide MoS2 interlayer of 1.02 nm facilitates rapid Na+ insertion/extraction and accelerates reaction kinetics. Theoretical calculations uncover that the MoS2/NAC superlattices are beneficial for enhanced electron transport, decreased Na+ diffusion barrier and improved Na+ adsorption energy. The rGO@MoS2/NAC anode presents significantly improved high‐rate capabilities of 228, 207, and 166 mAh g−1 at 20, 30, and 50 A g−1, respectively, compared with two control samples of pristine MoS2 and MoS2/NAC counterparts. Excellent long‐term cyclability over 10 000 cycles with extremely low capacity decay is demonstrated at high current densities of 20 and 50 A g−1. Sodium‐ion full cells based on the rGO@MoS2/NAC anode are also demonstrated, yielding decent cycling stability of 200 cycles at 5C. Our work provides a novel interlayer strategy to regulate electron/Na+ transport for fast‐charging SIBs.image