bluuebunny/crossref_metadata_2025 huggingface dataset:
AgxCu100−x Decorated Si Micropillars as Photocathodes for the Reduction of CO2
Authors: Chaliyawala Harsh , Bastide Stephane , Cachet‐Vivier Christine , Ilic Nikola , Bourouina Tarik , Marty Frédéric , Bah Kadiatou , Torralba Encarnacion
Published: November 2024

This work reports the fabrication of p‐type Si micropillar (MP) substrates decorated with AgxCu100−x bimetallic nanoparticles and their application as photocathodes for CO2 photoelectrochemical reduction. Metal deposition by metal‐assisted chemical etching is chosen as the nanoparticle synthesis method, to explore for the first time its capabilities for 3D structures. It is found to be applicable, allowing a good control of the composition, with nanoparticles distributed along the entire MP, but with a coverage gradient from top to bottom. The AgxCu100−x decorated Si MPs photocathodes show enhanced light trapping compared to flat Si, with 45 % lower reflectance values in the visible and significantly higher catalytic activity, in terms of photocurrent density, overpotential and power savings (4.7 % for Ag50Cu50/Si MPs vs. 3 % for Ag50Cu50/flat‐Si). Si MPs coated with Ag50Cu50 and Ag20Cu80 provide the highest gain in potential (440 and 600 mV vs. bare Si MPs) and an increased selectivity towards high energy density products (i. e., CH4) compared to monometallic photocathodes. These are promising features for efficient light‐driven CO2 conversion. However, a significant metal loss is observed during photoelectrolysis, especially for Cu‐rich compositions. Suggestions to improve the photocathode performance in terms of metal coating homogeneity and catalyst stability are presented.
Study on Intelligent Bionic Superhydrophobic Material and its Oil‐Water Separation Mechanism
Authors: Wang Zuoliang , Qu Guangfei , Ren Yuanchuan , Chen Xiuping , Wang Jun , Lu Ping
Published: November 2024

Marine oil spills and improper disposal of daily oil usage have posed significant threat to ecological environments and human health due to rapid industrial development. In this study, an environmentally friendly, simple process and high‐performance Fe3O4@SiO2@Polymethyl methacrylate (PMMA)‐based smart bionic superhydrophobic oil‐absorbing material was developed for effectively collecting and removing oil pollutants from water. By studying the effects of Fe3O4 particle size, polydimethylsiloxane (PDMS) concentration, and heating time on the superhydrophobicity of the materials, the directional regulation of superhydrophobicity and oil‐water separation performance of Fe3O4@SiO2@PMMA@PDMS materials was realized. The results showed that the material exhibited optimal performance when the Fe3O4 particle size combination was 20/500 nm/1 μm, the mass ratio of PDMS to Fe3O4@SiO2@PMMA was 7 : 1, and it was heated at 350°C for 1 minute. The coating achieved an apparent contact angle (APCA) of 158.7° and a rolling angle as low as 4.9°. This coating not only remained superhydrophobic after a 21 m abrasion test and 288 h immersion in acid, alkali, salt, and high‐temperature solutions, but also efficiently separated oil‐water mixtures and water‐in‐oil emulsions, and the separation efficiency for oil‐water mixtures of trichloromethane, dichloromethane and bromomethane was over 99.78 %, and that for water‐in‐oil emulsions was over 98.34 %. Furthermore, the superhydrophobic magnetic polyurethane (SFPU) sponge prepared using Fe3O4@SiO2@PMMA not only exhibited excellent oil‐absorbing capacity (11–28 g/g), but also realized precise oil absorption at multiple sites by magnetic conduction. In the actual oily wastewater test, the oil‐water separation efficiency of the sponge reached 90.58 % and the oil absorption capacity reached 17.03 g/g. This efficient oil‐water separation performance as well as oil adsorption capacity comes from the fact that the nonpolar molecules (e. g., −CH3) generated by the hydrolysis of PDMS can produce van der Waals adsorption with oil substances, while the excellent micro‐nanostructure of the coating surface greatly increases the contact area between oil droplets and the coating, which can make them adsorb or pass through quickly. This multifunctional coating and sponge had immense application potential in fields like offshore oil spill treatment, organic pollution control in water bodies.
S/Se‐Annulated Star‐Shaped Perylene Diimides (PDIs) with Large Two‐Photon Absorption (TPA) Cross‐Section in NIR‐I Region
Authors: Li Dandan , Zhao Wenrong , Li Gang , Xu Yan , Xu Liang , Tang Bo
Published: November 2024

Two‐photon absorption (TPA) has attracted growing attention over recent years owing to the wide range of applications in organic nonlinear optical (NLO) materials. The quantitative sensitivity of a two‐photon molecular entity is determined by its TPA cross‐section (δTPA). Perylene diimides (PDIs) are excellent n‐type organic semiconductor materials demonstrating distinguished thermal, optical, and chemical stability. Nonetheless, PDIs‐based scaffolds exhibit poor δTPA in the NIR−I region (700–900 nm) due to the lack of suitable molecular design. Here, two novel star‐shaped PDIs fluorophores, namely PDI−S and PDI−Se, were constructed by four periphery S/Se‐fused PDIs connected with bicarbazole core. PDI−S manifested excellent δTPA of 3775 GM, which are among the highest values reported for PDIs excited in the NIR−I region.
Iridium/Acid‐Dual Catalyzed Enantioselective Intramolecular Allylic Dearomatization Reaction of Allylic Alcohol Tethered α‐ and β‐Naphthols
Authors: Shikari Amit , Chandra Pan Subhas
Published: November 2024

The first catalytic enantioselective intramolecular allylic dearomatization of allylic alcohol tethered α‐ and β‐naphthols has been developed with iridium/acid‐dual catalysis. A wide range of polycyclic spiroketones containing vicinal tertiary and quaternary carbon stereocenters were readily prepared in good to high yields with high diastereo‐ and moderate to excellent enantioselectivities. An unusual anti‐Markovnikov Wacker oxidation has also been shown in synthetic transformations.
Chiral Differentiation of Chiral Lactides and Chiral Diketones on Native and Phenylcarbamoylated Cyclodextrin Chiral Stationary Phases
Authors: Li Xiaoxuan , Feng Xueyang , Du Xiaoxuan , Wang Yong
Published: November 2024

Inclusion complexation, hydrogen bonds, π–π interaction, dipole–dipole interaction, and steric hindrance effect all contribute to the enantioseparation ability of cyclodextrin (CD) or CD derivatives. In this work, one native cationic CD chiral stationary phases (SHCDCSP) and four derivatized CD‐CSPs, namely, per(4‐trifluoromethyl) phenylcarbamoylated‐β‐CD CSP (SFPhCDCSP), per(4‐chloro) phenylcarbamoylated‐β‐CD CSP (SCPhCDCSP), per(4‐bromo) phenylcarbamoylated‐β‐CD CSP (SBPhCDCSP), and per(4‐methyl) phenylcarbamoylated‐β‐CD CSP (SMPhCDCSP), were prepared via thioether linkage and applied for the enantioseparation of chiral lactides and chiral diketones in both reverse phase (RP) and normal phase (NP) modes. Most of the studied chiral lactides were found to be well resolved (Rs > 1.5) under RP mode, especially Met‐Sty‐Ibn (compound 11) is observed to display highest resolutions (Rs = 5.09, Rs = 3.17) among all the analytes on the SFPhCDCSP and SMPhCDCSP. In NP mode, SFPhCDCSP showed excellent chiral recognition ability towards chiral lactides. The comparison study of CD‐CSPs reveals the structure of CSPs play a significant role on the enantioselectivities.
Protocol: Proactive resilience programmes for improving resilience and psychological adaptation in employees in high‐risk occupations: A systematic review
Authors: Filges Trine , Mølgaard Anja Bondebjerg , Smedslund Geir , Kildemoes Malene W. , Bengtsen Elizabeth
Published: November 2024

This is the protocol for a Campbell systematic review. The objectives are as follows: What are the effects of proactive resilience programmes offered to employees in high‐risk occupations on resilience and psychological adaptation?
Anaerobic Naphthalene Biotransformation Coupled to Sulfate Reduction
Authors: Yadu Aparna , Sahariah Biju Prava , Anandkumar Jayapal
Published: November 2024

Polycyclic aromatic hydrocarbons (PAHs) are a diverse group of hazardous and toxic pollutants widely distributed in the environment. The anaerobic degradation is a promising technique for the removal of recalcitrant aromatic hydrocarbons from waste stream. In this study, anaerobic degradation of naphthalene (NAP) was investigated by using cow dung‐enriched mixed microbial consortia with varying NAP and sulfate concentrations. The maximum removal of NAP (99.8%) and sulfate (68%) was achieved while varying the sulfate concentration from 50 to 500 mg/L in 500 mg/L NAP influent concentration. 41.9 mg/L of sulfate was generated during this study. Similarly, when NAP concentration was varied from 100 to 1000 mg/L, 84% of chemical oxygen demand (COD), 74% of sulfate, and 92% of NAP were observed at constant sulfate concentration of 250 mg/L. This result reveals that sulfate concentration had no significant effect on NAP degradation. NAP mineralization was evidenced by the formation of sulfide and production of metabolites with decreasing NAP concentration. Gas chromatography–mass spectrometry (GC–MS) confirmed the formation of metabolites like naphthol and 1,2‐dihydroxynaphthalene due to monooxygenation at C‐1 as part of the metabolic pathway. The rate of NAP, COD, and sulfate removal followed the first‐order kinetics with high regression coefficients while varying the influent NAP concentrations.
Distribution Characteristics and Impacting Factors of Drug CYP Enzymes and Transporters in the Gastrointestinal Tract of Chinese Healthy Subjects
Authors: Zhang Miao , Zhang Lei , Suo Baojun , Wei Yudong , Xu Yue , Jiang Muhan , Dong Jing , Li Xiaodong , Song Zhiqiang , Liu Dongyang
Published: November 2024

The abundance of drug metabolic enzymes (DMEs) and transporters (DTs) in the human gastrointestinal tract significantly affects xenobiotic exposure in the circulating system, the basis of these compounds acting on humans. However, accurately predicting individual exposure in healthy subjects remains challenging due to limited data on protein levels throughout the gastrointestinal tract within the same individuals and inadequate assessment of factors influencing these levels. Therefore, we conducted a clinical study to obtain biopsy samples from 8 different gastrointestinal segments in 24 healthy Chinese volunteers. Concurrently, blood and fecal samples were collected for genotypic analysis and fecal microbiota metagenomic sequencing. Using an optimized LC–MS/MS method, we quantified the absolute protein abundance of CYP2C9, CYP2C19, CYP2D6, CYP3A4, P‐gp, and BCRP from the stomach to the colon. Our results revealed significant regional differences in protein expression: CYP3A4 was the most abundant in the small intestine, whereas CYP2C9 was predominantly found in the colon. CYP2D6 was primarily located in the ileum, while other DMEs/DTs showed higher concentrations in the jejunum. Meanwhile, the enzyme abundance in the small intestine and colon and the relative ratio of transporters in different regions to the jejunum were accurately calculated, providing valuable data for refining the physiological parameters in the virtual gastrointestinal tract of Chinese healthy population in PBBMs. Additionally, BMI, IBW, sex, age, genotype, and fecal microbiota were identified as critical factors influencing the protein levels of these DMEs/DTs throughout the gastrointestinal tract, with notable regional differences. Consequently, this study provides a unique foundation for understanding xenobiotic absorption in humans.
Mechanistic Modeling of Spatial Heterogeneity of Drug Penetration and Exposure in the Human Central Nervous System and Brain Tumors
Authors: Li Jing , Wickramasinghe Charuka , Jiang Jun , Wu Andrew , Jiang Yuanyuan , Tovmasyan Artak , Kim Seongho , Sanai Nader
Published: November 2024

Direct measurement of spatial–temporal drug penetration and exposure in the human central nervous system (CNS) and brain tumors is difficult or infeasible. This study aimed to develop an innovative mechanistic modeling platform for quantitative prediction of spatial pharmacokinetics of systemically administered drugs in the human CNS and brain tumors. A nine‐compartment CNS (9‐CNS) physiologically‐based pharmacokinetic model was developed to account for general anatomical structure and pathophysiological heterogeneity of the human CNS and brain tumors. Drug distribution into and within the CNS and tumors is driven by plasma concentration–time profiles and governed by drug properties and CNS pathophysiology. The model was validated by comparisons of model predictions and clinically observed data of six drugs (abemaciclib, ribociclib, pamiparib, olaparib, temuterkib, and ceritinib) in glioblastoma patients. As rigorously validated, the 9‐CNS model allows reliable prediction of spatial pharmacokinetics in different regions of the brain parenchyma (i.e., parenchyma adjacent to CSF and deep parenchyma), tumors (i.e., tumor rim, bulk tumor, and tumor core), and CSF (i.e., ventricular CSF, cranial and spinal subarachnoid CSF). By considering inter‐individual plasma pharmacokinetic variability and CNS/tumor heterogeneity, the model well predicts the inter‐individual variability and spatial heterogeneity of drug exposure in the CNS and tumors as observed for all six drugs in glioblastoma patients. The 9‐CNS model is a first‐of‐its kind, mechanism‐based computational modeling platform that enables early reliable prediction of spatial CNS and tumor pharmacokinetics based on plasma concentration–time profiles. It provides a valuable tool to assist rational drug development and treatment for brain cancer.
CD8+ T cell epitope conservation in emerging H5N1 viruses suggests global protection
Authors: Grant Emma J , Gras Stephanie
Published: November 2024

Objectives

The recent H5N1 avian influenza outbreak in the USA has sparked fresh fears of avian viruses causing the next pandemic. To date, the H5N1 (clade 2.3.4.4b) outbreak in cattle has spread across several states in the USA, with several humans infected following exposure to cows. This H5N1 clade is also reportedly circulating across Europe, Africa and South America. H5N1 was also detected in a child returning to Australia following travel in India where H5N1 (clade 2.3.2.1a) is also reported to be circulating. There are no licenced vaccines against H5N1 avian influenza viruses for humans. Current vaccines aim to protect against seasonal H1N1 and H3N2 variants are unlikely to provide much protection against the different H5, or other avian viruses. CD8+ T cells are known to provide protection against influenza infection, enhancing viral control and decreasing disease severity.

Methods

We recently compiled and published a list of the known immunogenic influenza‐derived CD8+ T cell epitopes restricted to the most prevalent 10 HLA‐A, ‐B and ‐C molecules worldwide. We assessed the conservation of a curated list of these influenza A virus‐derived CD8+ T cell epitopes in H5N1 viruses' sequences at the heart of the outbreak.

Results

We identified that > 64% of the CD8+ T cell epitopes are highly conserved (> 90% sequence identity) in the H5N1 viruses, with 60% (18/30) of the most prevalent HLA‐I molecules have at least one immunogenic CD8+ T cell epitope conserved in H5N1 viruses. Together these HLA‐I molecules with conserved epitopes have a cumulative total of > 100% global coverage. Epitopes derived from the NP, M1, PB2, NS1 and PB1 proteins displayed the highest level of conservation.

Conclusions

Together, this analysis highlights that globally there is the potential for T cell cross‐recognition against the H5N1 viruses that may provide some protection in humans towards the current avian flu outbreak.
Archimedes Chicken Swarm Optimization‐Based Routing for Internet of Underwater Wireless Sensor Networks
Authors: N Suriya , M Palanivelan
Published: November 2024

Underwater Wireless Sensor Networks (UWSNs) are employed in various applications ranging from observing the underwater environment to military applications, which leads to attaining interest for many investigators in the UWSNs area. They experience more problematic issues because they are deployed underwater. Some of the common difficulties involve the assessment of battery, installation, energy consumption, and long delay. To overcome this bridge, an effectual scheme is developed for the internet of UWSNs named Archimedes Chicken Swarm Optimization (ACSO). Here, ACSO is obtained by the fusion of Archimedes Optimization Algorithm (AOA) and Chicken Swarm Optimization (CSO). The underwater sensor network IoT module (IoUT) nodes are simulated and the energy model and mobility model are considered for the following progress. The energy prediction is achieved by employing a Deep Recurrent Neural Network (DRNN), which is trained by the proposed ACSO. The Cluster Head (CH) selection is performed utilizing the Energy Efficient Clustering Protocol. Lastly, the routing is carried out by the ACSO algorithm, where the best route is determined based on various parameters namely, energy, distance, delay, throughput, and Packet Delivery Ratio (PDR).
Ecosystem service indicators on military‐managed drylands in the Western United States
Authors: Jordan Samuel E. , Smith William K. , Sala Osvaldo E.
Published: November 2024

Lands devoted to military use are globally important for the production of ecosystem services and for the conservation of biodiversity. The United States has one of the largest military land estates in the world, and most of these areas occur in water‐limited landscapes. Despite many of these areas receiving intense or sustained disturbance from military training activities, the structure and function of ecosystems contained within their boundaries continue to provide critical benefits to people across spatial scales. The land owned and managed by the Department of Defense is subject to regulation across local, state, and federal governing bodies, constraining and shaping both how land management is conducted and how ecosystem services are prioritized. Here, we explored the supply of ecosystem services from military lands in dryland areas of the United States using key indicators of ecosystem services: biodiversity estimates derived from range maps, ecosystem productivity estimates from satellite observations, and spatially explicit, hierarchical ecosystem classifications. Additionally, we utilized content analysis of the environmental management plans of these areas to describe the unique set of demands and regulatory constraints on these areas. We found that the US military land estate in drylands contains many types of ecosystems and provides a large and diverse supply of ecosystem services, comparable to the sum of services from public lands in these areas. Additionally, the degree to which the ecosystem services concept is captured in environmental management plans is strongly shaped by the language of the governing legislation that mandated the use of environmental management plans in these areas, although these plans do not explicitly address land management using the concept of ecosystem services. Collectively, our findings suggest that military use and management of land represents an important source of ecosystem services, that military land use can be considered a cultural ecosystem service unto itself, and that top‐down regulation can affect how these services are identified and valued. Our work highlights the need for the research and conservation communities to quantify ecosystem services from individual military installations so that both services and biodiversity can be safeguarded in an era of military conflict across the globe.
Genomic Introgression in the Hybrid zones at the Margins of the Species' Range Between Ecologically Distinct Rubus Species
Authors: Mimura Makiko , Tang Zhenxing , Shigenobu Shuji , Yamaguchi Katsushi , Yahara Tetsukazu
Published: November 2024

Populations in extreme environments at the margins of a species' range are often the most vulnerable to climate change, but they may also experience novel evolutionary processes, such as secondary contact and hybridization with their relatives. The range overlap resulting from secondary contact with related species that have adapted to different climatic zones may act as corridors for adaptive introgression. To test this hypothesis, we examined the hybrid zones along the altitude of two closely related Rubus species, one temperate and the other subtropical species, at their southern and northern limits on Yakushima Island, Japan. Genomic cline analysis revealed non‐neutral introgression throughout the genome in both directions in the two species. Some of these genomic regions involve gene ontology terms related to the regulation of several biological processes. Our niche modeling suggests that, assuming niche conservatism, the temperate species are likely to lose their suitable habitat, and the backcrossed hybrids with the subtropical species are already expanding upslope on the island. Adaptive introgression through the hybrid zone may contribute to the persistence and expansion of the species in the southernmost and northernmost populations.
What Determines the Probability of Discovering a Species? A Study of the Completeness of Bryophyte Inventories in Tianmushan National Nature Reserve (Zhejiang, China)
Authors: Yao Xue , Dai Zun , Wang Yiran , Zhang Jian , Wang Jian
Published: November 2024

Knowing the total number of species in a region has been a question of great interest motivated by the need to provide a reference point for current and future losses of biodiversity. Unfortunately, obtaining an accurate number is constrained by the fact that most species remain to be discovered, due to the imperfect detection of species in the field collection or because of temporal turnover in species composition. Here, to understand the inventory completeness at the local scale, we studied the temporal dynamics in the species richness and composition of bryophytes in Tianmushan National Nature Reserve. We used β‐diversity to measure the temporal variation and analyzed the species attributes of newly discovered species collected this time. Furthermore, we evaluated our sampling strategy to measure sampling effect and estimated the species that remain to be discovered. We found that total β‐diversity was largely driven by turnover. The analysis of species attributes showed that epiphytic species dominate the newly recorded species in both the narrow and wide elevational range species. Further, if only one of the methods was adopted, 26%–29% of the newly discovered species would be missed, and we inferred that there are likely are 185 bryophytes yet to be discovered. Our results indicate that when the same effort was made, an appropriate sampling methodology is crucial to accelerate newly recorded species discovery. Further, the results of our study highlight that species temporal turnover should be considered when assessing the completeness of species inventories at the local scale.
Family Associations in a Breeding Colony of Critically Endangered Hooded Vulture (Necrosyrtes monachus) in the Lowveld of South Africa
Authors: Le Roux Rynhardt , Thompson Lindy J. , van Vuuren Bettine Jansen , Willows‐Munro Sandi
Published: November 2024

Numbers of Critically Endangered Hooded Vultures (Necrosyrtes monachus Temminck 1823) are declining across their distribution. The range‐edge population in South Africa is one of the smallest populations with only 100–200 mature individuals. In South Africa, Hooded Vultures nest solitarily in loose colonies (mean distance between nests 0.76 km) along water courses. Basic ecological information, such as breeding behaviour, is still lacking for the species. In this study, we examine the relatedness and nest turnover of nesting individuals along the Olifants River and other locations in the Lowveld of South Africa by sampling nests over five consecutive years. A key hypothesis tested is whether communal roosting sites function as information‐sharing hubs, a phenomenon that has been seen in Cape Vultures (Gyps coprotheres) and other cliff‐nesting vultures. Theory suggests that information sharing occurs more frequently between closely related individuals. If true, we expect distance between nests and genetic relatedness to be positively correlated and individuals to use the same nests over multiple years. Naturally moulted feathers (n = 108) were collected below nests over five consecutive years, and 14 microsatellite loci markers were used to measure genetic relatedness. Mantel tests performed correlating distance between nests to relatedness coefficient estimators TrioML (r = 0.032, R2 = 0.001, p = 0.224) and LynchRD (r = 0.007, R2 = 0.00005, p = 0.403), found no statistical correlation. The Mantel test performed using Nei's genetic distance and distance between nests did show a negative correlation (r = −0.108, R2 = 0.0117, p‐value = 0.012), indicating that individuals that were more closely related tended to breed further away. No nest reuse was found in this study. We thus believe that these loose colonies do not act as food‐finding hubs, but rather that the Olifants River is an important breeding site for these birds.
Publication‐driven consistency in food web structures: Implications for comparative ecology
Authors: Brimacombe Chris , Bodner Korryn , Gravel Dominique , Leroux Shawn J. , Poisot Timothée , Fortin Marie‐Josée
Published: November 2024

Large collections of freely available food webs are commonly reused by researchers to infer how biological or environmental factors influence the structure of ecological communities. Although reusing food webs expands sample sizes for community analysis, this practice also has significant drawbacks. As food webs are meticulously crafted by researchers for their own specific research endeavors and resulting publications (i.e., books and scientific articles), the structure of these webs inherently reflects the unique methodologies and protocols of their source publications. Consequently, combining food webs sourced from different publications without accounting for discrepancies that influence network structure may be problematic. Here, we investigate the determinants of structure in freely available food webs sourced from different publications, examining potential disparities that could hinder their effective comparison. Specifically, we quantify structural similarity across 274 commonly reused webs sourced from 105 publications using a subgraph technique. Surprisingly, we found no increased structural similarity between webs from the same ecosystem nor webs built using similar network construction methodologies. Yet, webs sourced from the same publication were very structurally similar with this degree of similarity increasing over time. As webs sourced from the same publication are typically sampled, constructed, and/or exposed to similar biological and environmental factors, publications likely holistically drive their own webs' structure to be similar. Our findings demonstrate the large effect that publications have on the structure of their own webs, which stymies inference when comparing the structure of webs sourced from different publications. We conclude by proposing different approaches that may be useful for reducing these publication‐related structural issues.
Filling the Gap within 10‐Membered Heteroenediynes: Thiaenediyne – An Experimental and Theoretical Study
Authors: Danilkina Natalia A. , Khmelevskaya Ekaterina A. , Shtyrov Andrey A. , Ryazantsev Mikhail N. , Khlebnikov Alexander F. , Tupikina Elena Yu. , Rumyantsev Andrey M. , D'yachenko Alexander S. , Balova Irina A.
Published: November 2024

The heteroatom nature in 10‐membered enediynes plays a crucial role in tuning of their reactivity in the Bergman cyclization, which is a decisive factor for the biological activity of enediynes. Although benzothiophene‐fused O‐ and N‐enediynes have been identified as promising biological objects, the corresponding thiaenediyne remains unknown. To fill this gap, we synthesized the thiaanalog and studied it in both practical and theoretical terms. While the Nicholas reaction has proven to be an effective cyclization technique for the preparation of heteroenediynes, in the case of thiaenediyne it was accompanied by an unusual acid‐promoted intramolecular cyclization, forming a thiepinium salt. The S‐enediyne has reduced reactivity in the Bergman cyclization relative to the N‐ and O‐enediynes, attributed to the diminished alkyne bending and extended cd‐distance. The NBO analysis of the entire series, namely the evaluation of πin/out(C2‐CC)→σ*(C−X) hyperconjugation, revealed that the S atom in S‐enediyne provides stronger stabilization of the initial compound than the N atom in N‐enediyne, while exhibiting the weakest stabilization of the Bergman cyclization transition state. NICS values were employed to examine the change in aromaticity along the Bergman cyclization coordinate. This approach, in conjunction with the NBO analysis, provides a foundation for further rational design of unnatural enediynes.
Synthesis, Structures, and Physical Properties of ExTTF Substituted with Aryl Groups through Sulfur Bridges and the Electron Transfers with C60
Authors: Ma Longfei , Wu Lingxi , Lu Xiaofeng
Published: November 2024

ExTTF derivatives (1–4) bearing aryl groups attached through sulfur bridges have been synthesized. The peripheral aryl groups have a certain influence on both the electronic and crystallographic properties of the exTTFs. Compounds 1–4 show two bands typical of exTTF derivatives near 360 and 430 nm. Compound 1 and 4 exhibit the characteristic electrochemical exTTF behavior, with one reversible two‐electron process ranging depending on their substitution the electron‐withdrawing ability. But 2 and 3 exhibit a similar single two‐electron oxidation wave but electrochemically irreversible redox with peak‐to‐peak potential separation. And 3 has a low redox potential, which is significantly inconsistent with the electron absorption of pyridine substituents. The crystal structures of 1–4 exhibit the characteristic butterfly shape. Moreover, the peripheral aryl groups exhibit multiple alignment modes with respect to the central exTTF core, caused by their rotation about the two C−S bonds of the sulfur bridges. Under the interaction of multiple molecules, exTTF shows different molecular packing structures. Compounds 1–4 have charge transfer with C60 due to their good electron‐donating ability, butterfly configuration, and free rotation of peripheral aryl groups. These results indicate that 1–4 organic electronic materials have potential applications in the field of supramolecular assembly.
Abating cationic dye in wastewater using natural coagulants
Authors: Varala Sayanasri , Kumari Alka , Buruga Kezia , Bhargava Suresh K. , Parthasarathy Rajarathinam
Published: November 2024

Natural coagulants are a biodegradable and potential alternative to chemical coagulants. Cassia fistula seeds and Cactus opuntia f‐indica are employed herein to reduce the concentration of methylene blue dye in aqueous solutions. Maximum removal efficiency was obtained by optimizing the process parameters by the Taguchi method in the design of experiments (DOE). At optimum conditions, the removal efficiencies of C. fistula seeds and Cactus opuntia f‐indica were 98.27% and 92.75%, respectively. The adsorption kinetics data were fitted to pseudo‐first‐order, pseudo‐second‐order, Elovich, intra‐particle diffusion, and Boyd kinetic models. Accordingly, intra‐particle diffusion and pseudo‐second‐order kinetics suggested the coagulation process to be an adsorption process controlled by the solid‐phase sorption with intra‐particle diffusion as the rate‐limiting step. A comparative study was also conducted using alum to determine its effectiveness in reducing dye concentration. Results suggested biocoagulants are appropriate alternatives for reducing dye concentrations in wastewater and treating textile and dye industrial effluents.
IDHNet: Ultra‐Short‐Term Wind Power Forecasting With IVMD–DCInformer–HSSA Network
Authors: Li Wei , Gao Lu , Zhang Fei , Ren XiaoYing , Qin Ling
Published: November 2024

The variability and unpredictability of wind power generation present significant challenges for grid management and planning. Enhancing the accuracy of wind power forecasting is crucial for improving the reliability of renewable energy systems. To enhance the accuracy of temporal wind power predictions, the IVMD–DCInformer–HSSA framework has been introduced. Initially, the original wind power data is decomposed into multiple intrinsic mode function (IMF) components using the improved variational mode decomposition (IVMD) technique. Subsequently, the Sparrow search algorithm (HSSA) is employed to optimize the parameters of the enhanced Informer deep neural network, which are then integrated into the improved Informer model. The predictions of each IMF component resulting from the IVMD decomposition are then combined to generate the final prediction outcome. The experimental results show that the R‐squared value of the proposed combined model is increased to 0.9903, and the accuracy is increased by 1%–3% compared with other models, which has a good prediction effect.
Impact of Deprivation and Preferential Usage on Functional Connectivity Between Early Visual Cortex and Category‐Selective Visual Regions
Authors: Fleming Leland L. , Defenderfer Matthew K. , Demirayak Pinar , Stewart Paul , Decarlo Dawn K. , Visscher Kristina M.
Published: November 2024

Human behavior can be remarkably shaped by experience, such as the removal of sensory input. Many studies of conditions such as stroke, limb amputation, and vision loss have examined how removal of input changes brain function. However, an important question yet to be answered is: when input is lost, does the brain change its connectivity to preferentially use some remaining inputs over others? In individuals with healthy vision, the central portion of the retina is preferentially used for everyday visual tasks, due to its ability to discriminate fine details. When central vision is lost in conditions like macular degeneration, peripheral vision must be relied upon for those everyday tasks, with some portions receiving “preferential” usage over others. Using resting‐state fMRI collected during total darkness, we examined how deprivation and preferential usage influence the intrinsic functional connectivity of sensory cortex by studying individuals with selective vision loss due to late stages of macular degeneration. Specifically, we examined functional connectivity between category‐selective visual areas and the cortical representation of three areas of the retina: the lesioned area, a preferentially used region of the intact retina, and a non‐preferentially used region. We found that cortical regions representing spared portions of the peripheral retina, regardless of whether they are preferentially used, exhibit plasticity of intrinsic functional connectivity in macular degeneration. Cortical representations of spared peripheral retinal locations showed stronger connectivity to MT, a region involved in processing motion. These results suggest that the long‐term loss of central vision can produce widespread effects throughout spared representations in early visual cortex, regardless of whether those representations are preferentially used. These findings support the idea that connections to visual cortex maintain the capacity for change well after critical periods of visual development.
Development and Preliminary Testing of the Staffordshire Questionnaire for Adolescent Idiopathic Scoliosis (SQ‐AIS): Content and Face Validity
Authors: Leone Enza , Chockalingam Nachiappan , Needham Robert , Healy Aoife , Eddison Nicola , Jevtic Nikola , Jasani Vinay
Published: November 2024

Introduction

Adolescent Idiopathic Scoliosis (AIS) is a structural spinal deformity with implications for health‐related quality of life (HR‐QoL). The Scoliosis Research Society‐22 revised (SRS‐22r) questionnaire is the standard for HR‐QoL assessment. However, studies have identified limitations with the SRS‐22r, including content and face validity issues, reliability concerns, and language appropriateness. This study aimed to develop and validate a patient‐reported questionnaire, the Staffordshire Questionnaire for Adolescent Idiopathic Scoliosis (SQ‐AIS), to assess the impact of AIS on HR‐QoL.

Methods

The SQ‐AIS comprises six domains: general health, pain, function/activity, self‐image/appearance, mental health, and intervention. Individuals with AIS aged 10–19 years and clinicians from a range of countries with expertise in AIS contributed to the testing process. Face validity and clinical applicability were assessed using Likert scales, while content validity was evaluated through a categorical binary variable (yes/no).

Results

Involving 8 AIS patients and 43 clinicians, face validity scores demonstrated an acceptable level of understanding (≥ 4/5) for both individuals with AIS and clinicians. Most individuals with AIS (85.71%) and clinicians (80.95%) affirmed that the questionnaire sufficiently covers various aspects of scoliosis, indicating a satisfactory level of content validity. Ratings for applicability to clinical practice indicated an acceptable level of practical relevance (≥ 4/5).

Discussion and Conclusion

The SQ‐AIS emerges as a valid and promising tool to overcome existing challenges in AIS‐related outcome assessment. Pending further validation studies, the favorable reception from the international community of clinicians suggests its potential as a new benchmark for evaluating AIS impact on HR‐QoL and monitoring scoliosis management.
Experimental Investigation of Pool Boiling Heat Transfer on Cu─Al2O3 Composite Coated Patterned Surfaces Using Refrigerant R‐134a
Authors: Pingale Ajay D. , Waghmare Govind , Katarkar Anil S. , Wankhede Sagar , Bhaumik Swapan , Belgamwar Sachin
Published: November 2024

The present study investigates pool boiling heat transfer (PBHT) of R‐134a on Cu─Al2O3 composite‐coated patterned surfaces (CPSI, CPSII, CPSIII, and CPSIV). Using a wire EDM method, four different types of copper patterned surfaces (PSI, PSII, PSIII, and PSIV) were manufactured. Comparing the heat transfer coefficients (HTCs) of the Cu─Al2O3 composite‐coated patterned surfaces to the uncoated Cu surfaces, a notable enhancement was observed. The maximum HTC improvements of 162%, 178%, 189%, and 211% were observed for CPSI, CPSII, CPSIII, and CPSIV, respectively, when compared with bare Cu surfaces. These results demonstrate the effectiveness of these treatments in enhancing heat transfer compared to bare copper surfaces. The enhancement in PBHT is mainly due to the integration of porous Cu─Al2O3 composite coating with patterned surfaces which resulted in a larger heat transfer area, improved capillary action, and a substantial increase in active nucleation sites.
Who Am I? A Longitudinal Investigation of the Multidimensional Self
Authors: Goncharova Yaroslava , Ross Josephine
Published: November 2024

Cross‐sectional research employing the mirror mark test of self‐recognition has dominated research focused on the development of self‐reflection in children. However, the mirror mark test may fail to capture the complexity of self as a social object, and the developmental antecedents and consequences of self‐reflection remain largely uncharted. Here, we provide an overview of the extant longitudinal data on mirror self‐recognition and present our own longitudinal findings based on a multidimensional parent‐report measure of children's self‐development. Offering a snapshot of development over 3 months for 74 children aged between 14 and 36 months, and mirroring extant longitudinal data for mirror self‐recognition, our results suggest that increases in self‐reflection are longitudinally related to developments in pretend play, prosocial behaviour, imitation and declarative pointing. However, although baseline self‐reflection was statistically predictive of children's prosocial behaviour at follow‐up, no strong developmental predictor of self‐reflection emerged. We conclude that more longitudinal research, moving beyond or supplementing mirror self‐recognition, is needed to identify the cognitive and social precursors of self‐reflection. Nevertheless, growth in ‘moral’ behaviour emerges as a significant developmental consequence of this capacity in a western sample. Further research is needed to explore cultural variability in developmental pathways to and from self‐reflection.
Correlation Between mRNA Expression of Activated Eosinophils and Air Pollutant Exposure in Patients With Asthma
Authors: Lin Ting‐Yu , Chang Po‐Jui , Lo Chun‐Yu , Chuang Hsiao‐Chi , Lee Chung‐Shu , Chang Chih‐Hao , Yu Chih‐Teng , Hsieh Meng‐Heng , Liu Chien‐Ying , Kuo Chih‐Hsi Scott , Lin Shu‐Min
Published: November 2024

Background

Eosinophil activation is associated with asthma. Whether air pollution affects the activation of blood eosinophils in patients with asthma remains unknown. In this study, we investigated the correlation between transcriptional activity in eosinophils and air pollutant exposure in patients receiving different levels of Global Initiative for Asthma (GINA) treatment.

Methods

We evaluated the expression levels of activation‐ and function‐related genes in eosinophils from patients with GINA 4 or 5 (n = 20), those with GINA 3 (n = 12), and normal individuals (n = 7); the eosinophils were activated with interleukin (IL)−5 or IL‐17. A land use regression model was used to estimate air pollutant exposure. The correlations between mRNA expression, lung function, and air pollutant exposure were investigated.

Results

The expression levels of TGFB1, IL7R, and TLR3 were significantly higher for patients with GINA 4 or 5 than for those with GINA 3 or normal individuals. The expression of certain genes, particularly in IL‐17‐activated eosinophils, was correlated with lung function decline in patients with GINA 4 or 5. For patients with GINA 4 or 5, NO2 exposure was correlated with upregulated TGFB1 expression in IL‐5‐activated eosinophils. For patients with GINA 3, O3 exposure was correlated with upregulated CCR5, IL5RA, IL7R, and TGFB1 expression in IL‐17‐activated eosinophils and upregulated IL7R expression in IL‐5‐activated eosinophils.

Conclusion

Patients with GINA 4 or 5 may exhibit elevated transcriptional activity in eosinophils; this elevation is correlated with lung function decline. Air pollution may affect eosinophil mRNA expression in patients with asthma.
The rising tide: Trends in induction of labor at term over a 5‐year period at a single centre
Authors: Nicholson Sarah M. , Hatt Susan , Kent Etaoin M. , Geary Michael P. , Dicker Patrick , Molphy Zara E. , Flood Karen , Malone Fergal D.
Published: November 2024

Objective

Induction of labor (IOL) is a controversial topic in contemporary obstetric practice, with some suggesting that the increase in elective induction (eIOL) as a potential contributor to increasing cesarean delivery (CD) rates. The objectives of this single‐center study were to examine the rates of IOL, trends in indications for IOL, and the contribution of IOL to the overall CD rate at one of Europe's largest obstetric hospitals.

Methods

This retrospective observational cohort study evaluated the outcomes of patients who were delivered following IOL from 2018 to 2022 inclusive at the largest obstetric hospital in Ireland.

Results

A total of 36 938 women (16 155 nulliparous and 20 783 multiparous) were delivered during the 5‐year study period, of whom 8072 nulliparous and 6343 multiparous women underwent IOL. There was a significant increase in rates of induction, increasing from 42% to 57% (P <0.001) in nulliparous women, and from 27% to 33% (P < 0.001) in multiparous women. The highest contributions to the hospital CD rate were from those being induced for ‘fetal’ (5%), spontaneous rupture of membranes (‘SROM’) (4%), and ‘maternal’ (4%) reasons, with the lowest CD rates in the eIOL category (<1%) in both groups.

Conclusion

Our data confirm that the rate of IOL is increasing. The contribution of maternal and fetal reasons for IOL to the overall CD rate may reflect increasing numbers of higher‐risk pregnancies. Despite current controversy regarding the role of eIOL, our data do not confirm a significant contribution to either the overall IOL or CD rates in this center.
Examining the interrelationships of school connectedness, social anxiety, and problematic social network use in adolescents
Authors: Zhang Jiajing , Ying Jiefeng , Shen Yunhong , Chen Danrui , Zhan Shiting , You Jianing
Published: November 2024

Introduction

While social networks have become an integral part of people's lives, they also bring the potential for negative consequences, with problematic social network use emerging as a noteworthy concern, especially among adolescents. Guided by social control theory, this study examined bidirectional relationships between problematic social network use and its influencing factors: school connectedness and social anxiety.

Methods

Random intercept cross‐lagged panel models were employed to examine the bidirectional relationships among school connectedness, social anxiety, and problematic social network use. Data were collected using the School Connectedness Scale, the Social Interaction Anxiety Scale, and the Evaluation Tool for Problematic Mobile Social Network Usage. Measurements were taken at three different times, each 6 months apart, over the course of 1 year (Time 1–3; T1 in November 2020). A total of 1684 Chinese adolescents (45.23% boys, Mage = 14.66, SD = 1.30) from a secondary school in Chaozhou City, Guangdong Province, China, participated in the study.

Results

The results indicated school connectedness and problematic social network use negatively predicted each other over time. In contrast, a positive bidirectional relationship was found between social anxiety and problematic social network use.

Conclusions

The findings have important implications for the development of targeted intervention strategies aimed at promoting healthy online habits and preventing the escalation of problematic social network use among adolescents. By highlighting the dynamic interplay between school connectedness, social anxiety, and social network use, this study contributes to a deeper understanding of these issues and lays the groundwork for future research and interventions aimed at supporting adolescents in navigating the digital landscape.
Mincle Maintains M1 Polarization of Macrophages and Contributes to Renal Aging Through the Syk/NF‐κB Pathway
Authors: Sun Lingshuang , Liu Hua , Shi Kehui , Wei Meng , Jiang Hongli
Published: November 2024

Kidney is a classic organ undergoing senescence, and chronic inflammation has an important effect in cellular senescence. Mincle has been shown to be vital for maintaining the M1 phenotype of macrophages, but its role in regulating renal aging has yet to be explored. Young (2 months of age) and old (24 months of age) mice were used to analyze the changes of kidney damage during natural aging. Mice were subcutaneously injected with D‐galactose (D‐gal) to establish a renal aging model, and miR‐6948‐3p mimic and Mincle siRNA were administered via the tail vein every 3 days. Aged kidney and experimental aging kidney were characterized by decreased renal function and structural damage, and upregulated expression of senescence‐related proteins and SPAP components. The ratio of M1 macrophages was increased in the aged kidney, and Mincle accumulated in the aged kidney macrophages. Administration of miR‐6948‐3p mimic or Mincle siRNA alleviated D‐gal‐induced renal senescence. LPS was used to induce M1 polarization of bone marrow‐derived macrophages, and a coculture system of M1 macrophages and mouse renal tubular epithelial cells (TCMK‐1) was established. Mincle was upregulated in LPS‐induced M1 macrophages in vitro, and silencing Mincle in M1 macrophages attenuated M1 macrophage‐induced TCMK‐1 cell senescence. Mechanistically, Mincle was regulated by miR‐6948‐3p and maintained the M1 phenotype of macrophages through the Syk/NF‐κB pathway. In conclusion, Mincle, posttranscriptionally suppressed by miR‐6948‐3p, modulated renal senescence by maintaining the phenotype of M1 macrophages through the Syk/NF‐κB pathway.