bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rational Molecular Design of Diketopyrrolopyrrole‐Based n‐Type and Ambipolar Polymer Semiconductors
Authors: Shen Tao , Jiang Zhen , Wang Yang , Liu Yunqi 
Published: June 2024

AbstractDiketopyrrolopyrrole (DPP)‐based polymer semiconductors have drawn great attention in the field of organic electronics due to the planar structure, decent solubilizing capability, and high crystallinity. However, the electron‐deficient capacity of DPP derivatives are not strong enough, leading to relatively high‐lying lowest unoccupied molecular orbital (LUMO) energy levels of the corresponding polymers. As a result, n‐type and ambipolar DPP‐based polymers are rare and their electron mobilities also lag far behind the p‐type counterparts, which limits the development of important p‐n‐junction‐based electronic devices. Therefore, new design strategies have been proposed recent years to develop n‐type/ambipolar DPP‐based polymers with improved performances. In this view, these molecular design strategies are summarized, including copolymerization of DPP with different acceptors and weak donors, DPP flanked aromatic ring modification, DPP‐core ring expansion and DPP dimerization. The relationship between the chemical structures and organic thin‐film transistor performances is intensively discussed. Finally, a perspective on future trends in the molecular design of DPP‐based n‐type/ambipolar polymers is also proposed.
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins
Authors: Desmedt Eline , Casademont‐Reig Irene , Monreal‐Corona Roger , De Vleeschouwer Freija , Alonso Mercedes 
Published: June 2024

AbstractSpectroscopic properties are commonly used in the experimental evaluation of ground‐ and excited‐state aromaticity in expanded porphyrins. Herein, we investigate if the defining photophysical properties still hold for a diverse set of hexaphyrins with varying redox states, topologies, peripheral substitutions, and core‐modifications. By combining TD‐DFT calculations with several aromaticity descriptors and chemical compound space maps, the intricate interplay between structural planarity, aromaticity, and absorption spectra is elucidated. Our results emphasize that the general assumption that antiaromatic porphyrinoids exhibit significantly attenuated absorption bands as compared to aromatic counterparts does not hold even for the unsubstituted hexaphyrin macrocycles. To connect the spectroscopic properties to the hexaphyrins’ aromaticity behaviour, we analyzed chemical compound space maps defined by the various aromaticity indices. The intensity of the Q‐band is not well described by the macrocyclic aromaticity. Instead, the degeneracy of the frontier molecular orbitals, the HOMO–LUMO gap, and the |ΔHOMO–ΔLUMO|2 values appear to be better indicators to identify hexaphyrins with enhanced light‐absorbing abilities in the near‐infrared region. Regions with highly planar hexaphyrin structures, both aromatic and antiaromatic, are characterized by an intense B‐band. Hence, we advise using a combination of global and local aromaticity descriptors rooted in different criteria to assess the aromaticity of expanded porphyrins instead of solely relying on the absorption spectra.
Impact of Immunosuppressive Therapy on Lead Dislodgement After Cardiac Implantable Electronic Device Implantation
Authors: Matsuda Yasuhiro , Masuda Masaharu , Asai Mitsutoshi , Okamoto Shin , Ishihara Takayuki , Nanto Kiyonori , Tsujimura Takuya , Hata Yosuke , Uematsu Hiroyuki , Higashino Naoko , Nakao Sho , Kusuda Masaya , Mano Toshiaki 
Published: June 2024

AbstractBackgroundsLead dislodgement is a severe complication in cardiac implantable electronic device (CIED) implantation. Inflammation after CIED implantation results in the development of adhesions between lead and tissues, resulting in the lead becoming fixed in the body. In patients with immunosuppressive therapy, however, adhesion is inhibited by anti‐inflammatory effects. However, the association between lead dislodgement and immunosuppressive therapy has not been clarified. The purpose of this study was to investigate the association between lead dislodgement and immunosuppressive therapy.HypothesisWe hypothesized that lead dislodgement more frequently occur in patients with immunosuppressive therapy than those without.MethodsIn total, 651 consecutive patients who underwent CIED implantation or lead addition (age, 76 ± 11 years; and males, 374 [58%], high voltage device, 121 [19%], lead addition 23 [4%]) were retrospectively enrolled. Immunosuppressive therapy was with regular steroids or immunosuppressants. Lead placement was guided by fluoroscopy, and active fixation leads were used. Restraint of the upper limb by chest tape was performed for 1 week after the procedure. Lead dislodgement was defined as a change in lead position and/or lead failure requiring reoperation.ResultsTwenty (3.1%) patients received immunosuppressive therapy. Among these, 15 (2.3%) patients regularly took steroids and 8 (1.2%) took immunosuppressants. Lead dislodgement occurred in 10 (1.5%) patients. Lead dislodgement was more frequent in patients with immunosuppressive therapy than in those without (3 [15%] vs. 7 [1%], p = 0.003).ConclusionIn patients with CIED implantation or lead addition, lead dislodgement is more frequent in patients with immunosuppressive therapy than in those without.
An intelligent aortic valve model for complete cardiac cycle
Authors: Iscan Mehmet , Yesildirek Aydin 
Published: June 2024

AbstractThe aortic valve (AV) is crucial for cardiovascular (CV) hemodynamic, impacting cardiac output (CO) and left ventricular volumetric flow rate (LVQ). Its nonlinear behavior challenges standard LVQ prediction methods as well as CO one. This study presents a novel approach for modeling the AV in the CV system, offering an improved method for estimating crucial parameters like LVQ across various AV conditions, including aortic stenosis (AS). The model, based on AV channel length during the entire cardiac phase, introduces a time‐varying AV resistance (TV‐AVR) parameterized by the pressure ratio across the AV and LVQ, enabling the simulation of both healthy and AS‐related conditions. To validate this model, in vitro measurements are compared using a hybrid mock circulatory loop device. An unconventional use of a convolutional neural network (CNN) corrects the model's estimates, eliminating the need for labeled datasets. This approach, incorporating real‐time learning and transforming 1‐D CV signals into 2‐D tensors, significantly improves the accuracy of LVQ measurements, achieving an error rate of less than 3.41 ± 4.84% for CO in healthy conditions and 2.83 ± 1.35% in AS cases—a 33.13% enhancement over linear diode models. These results underscore the potential of this approach for enhancing the diagnosis, prediction, and treatment of AV diseases. The key contributions of the proposed method encompass nonlinear TV‐AVR estimation, investigation of transient CV responses, prediction of instantaneous CO, development of a flexible framework for noninvasive measurements integration, and the introduction of an adjustable resistance model using an extended Kalman filter (EKF) and CNN combination, all without requiring labeled data.
In silico identification and in vitro evaluation of MRPS30‐DT lncRNA and MRPS30 gene expression in breast cancer
Authors: Shirani Nooshafarin , Mahdi‐Esferizi Roohallah , Eshraghi Samani Reza , Tahmasebian Shahram , Yaghoobi Hajar 
Published: June 2024

AbstractBackgroundIt has been reported that long non‐coding RNAs (lncRNAs) can play important roles in a variety of biological processes and cancer regulatory networks, including breast cancer.AimsThis study aimed to identify a novel upregulated lncRNA in breast cancer and its associated gene using bioinformatics analysis, and then evaluate their potential roles in breast cancer.Methods and ResultsExtensive in silico studies were performed using various bioinformatics databases and tools to identify a potential upregulated breast cancer‐associated lncRNA and its co‐expressed gene, and to predict their potential roles, functions, and interactions. The expression level of MRPS30‐DT lncRNA and MRPS30 was assessed in both BC tissues and cell lines using qRT‐PCR technology. MRPS30‐DT lncRNA and MRPS30 were selected as target genes using bioinformatics analysis. We found that MRPS30‐DT and MRPS30 were significantly overexpressed in BC tissues compared with normal tissues. Also, MRPS30 showed upregulation in all three BC cell lines compared with HDF. On the other hand, MRPS30‐DT significantly increased in MDA‐MB‐231 compared with HDF. While the expression of MRPS30‐DT was significantly dropped in the resistance cell line MCF/MX compared to HDF and MCF7. Moreover, bioinformatics analysis suggested that MRPS30‐DT and MRPS30 may play a potential role in BC through their involvement in some cancer signaling pathways and processes, as well as through their interaction with TFs, genes, miRNAs, and proteins related to carcinogenesis.ConclusionsOverall, our findings showed the dysregulation of MRPS30‐DT lncRNA and MRPS30 may provide clues for exploring new therapeutic targets or molecular biomarkers in BC.
Sea Urchin‐Like NiCo‐LDH Hollow Spheres Anchored on 3D Graphene Aerogel for High‐Performance Supercapacitors
Authors: Tong Hao , Li Lei , Wu Cunqi , Tao Zheng , Fang Jiahao , Guan Chunyan , Zhang Xiaogang 
Published: June 2024

AbstractTo enhance the inherent poor conductivity and low cycling stability of dimetallic layered double hydroxides (LDHs) materials, designing a synergistic effect between EDLC capacitors and pseudocapacitors is an efficient strategy. In this paper, we utilized a solvothermal technique employing Co‐glycerate as a precursor to prepare sea urchin‐like NiCo‐LDH hollow spheres anchored on a 3D graphene aerogel. The unique morphology of these hollow microspheres significantly expand the specific surface area and exposes more active sites, while reducing the volume changes of materials during long‐term charging and discharging processes. The 3D graphene aerogel serves as a conductive skeleton, improving the material‘s electrical conductivity and buffering high current. The sea urchin‐like NiCo‐LDH hollow spheres anchored on 3D graphene aerogel (H‐NiCo‐LDH@GA) has a specific surface area of 51 m2 g−1 and the ID/IG value is 1.02. The H‐NiCo‐LDH@GA demonstrate a significant specific capacitance of 236.8 mAh g−1 at 1 A g−1, with a remarkable capacity retention rate of 63.1 % even at 20 A g−1. Even after 8000 cycles at 10 A g−1, the capacity retention still remains at 96.3 %, presenting excellent cycling stability.
Error Awareness in the Volcano Plots of Oxygen Electroreduction to Hydrogen Peroxide
Authors: Urrego‐Ortiz Ricardo , Almeida Michell O. , Calle‐Vallejo Federico 
Published: June 2024

AbstractElectrocatalysis holds the key to the decentralized production of hydrogen peroxide via the two‐electron oxygen reduction reaction (ORR, O2(g)+2H++2e−‐>H2O2(aq)). However, cost‐effective, active, and selective catalysts are still sought after. While density functional theory (DFT) has already led to the discovery of various enhanced catalysts, it has a severe yet often unnoticed drawback: the ill description of O2 and H2O2. Here, we analyze the impact of the errors in those two species on the most widespread activity plots in the literature, namely free‐energy diagrams and Sabatier‐type volcano plots. Uncorrected or partially corrected gas‐phase energies lead to appreciably different activity plots that may provide inaccurate predictions. Indeed, we show for a variety of electrocatalysts that only when the errors in O2 and H2O2 are corrected can DFT mimic the experiments. In sum, this work provides concrete guidelines to avoid a common pitfall of computational models for electrocatalytic hydrogen peroxide production.
Deletion of endothelial IGFBP5 protects against ischaemic hindlimb injury by promoting angiogenesis
Authors: Song Fei , Hu Yu , Hong Yi‐Xiang , Sun Hu , Han Yue , Mao Yi‐Jie , Wu Wei‐Yin , Li Gang , Wang Yan 
Published: June 2024

AbstractBackgroundAngiogenesis is critical for forming new blood vessels from antedating vascular vessels. The endothelium is essential for angiogenesis, vascular remodelling and minimisation of functional deficits following ischaemia. The insulin‐like growth factor (IGF) family is crucial for angiogenesis. Insulin‐like growth factor‐binding protein 5 (IGFBP5), a binding protein of the IGF family, may have places in angiogenesis, but the mechanisms are not yet completely understood. We sought to probe whether IGFBP5 is involved in pathological angiogenesis and uncover the molecular mechanisms behind it.Methods and resultsIGFBP5 expression was elevated in the vascular endothelium of gastrocnemius muscle from critical limb ischaemia patients and hindlimb ischaemic (HLI) mice and hypoxic human umbilical vein endothelial cells (HUVECs). In vivo, loss of endothelial IGFBP5 (IGFBP5EKO) facilitated the recovery of blood vessel function and limb necrosis in HLI mice. Moreover, skin damage healing and aortic ring sprouting were faster in IGFBP5EKO mice than in control mice. In vitro, the genetic inhibition of IGFBP5 in HUVECs significantly promoted tube formation, cell proliferation and migration by mediating the phosphorylation of IGF1R, Erk1/2 and Akt. Intriguingly, pharmacological treatment of HUVECs with recombinant human IGFBP5 ensued a contrasting effect on angiogenesis by inhibiting the IGF1 or IGF2 function. Genetic inhibition of IGFBP5 promoted cellular oxygen consumption and extracellular acidification rates via IGF1R‐mediated glycolytic adenosine triphosphate (ATP) metabolism. Mechanistically, IGFBP5 exerted its role via E3 ubiquitin ligase Von Hippel‐Lindau (VHL)‐regulated HIF1α stability. Furthermore, the knockdown of the endothelial IGF1R partially abolished the reformative effect of IGFBP5EKO mice post‐HLI.ConclusionOur findings demonstrate that IGFBP5 ablation enhances angiogenesis by promoting ATP metabolism and stabilising HIF1α, implying IGFBP5 is a novel therapeutic target for treating abnormal angiogenesis‐related conditions.
Changes in mesophotic carbonate‐platform export across the end of the last glacial cycle (Saya de Malha Bank, western Indian Ocean)
Authors: Bialik Or M. , Betzler Christian , Braga Juan Carlos , Reijmer John J. G. , Reolid Jesus , Lindhorst Sebastian 
Published: June 2024

AbstractThe export of neritic material from the top of carbonate platforms is a key process in the construction of their slopes. However, our knowledge of the supply pattern of materials from platforms is dominantly based on platforms lying in the euphotic zone during the present sea‐level highstand. This is a somewhat biased perspective as through geological time not all platforms were euphotic. The Saya de Malha Bank in the Mascarene Plateau is an example of a modern mesophotic carbonate platform, and as such, its flooding and export patterns differ from those of euphotic ones. Using cores collected on the western slope of the Saya de Malha Bank, the export patterns of the platform since the last glacial maximum were explored. Material on the platform edge is winnowed and transported to the slope by multiple possible processes. The material on the platform is a combination of high and low magnesium calcite as well as high and low strontium aragonite, integrating pelagic and neritic sources. The ratio of these constituents varies over time with changes in the platform production capability as it was flooded and drowned during the Holocene transgression. The material from the platform is transported in both confined flows, mainly during lowstands, and unconfined flows, mainly during late transgression and early highstand. In the present state of the highstand, supply may have diminished, leading to erosion of the canyon shoulders.
Biogeographical diet variation within and between the rabbitfishes Siganus corallinus, Siganus doliatus, Siganus trispilos and Siganus virgatus
Authors: Zarco‐Perello Salvador , Martin Storm B. , Hoey Andrew 
Published: June 2024

AbstractFeeding habits of herbivorous fishes play an important role in shaping the form and function of coastal marine ecosystems. Rabbitfishes (Siganidae) are important consumers of macroalgae on Indo‐West Pacific coral reefs. However, it is unclear how their diet varies among and within species at biogeographical scales, casting doubt on their precise functional roles across different regions. The present study assessed the inter‐ and intra‐specific diet variation of four rabbitfishes (Siganus trispilos, Siganus corallinus, Siganus virgatus and Siganus doliatus) factored by morphological relatedness among populations from Ningaloo Reef (western Australia), the Great Barrier Reef (GBR, eastern Australia) and the Yaeyama Islands (Okinawa Prefecture, Japan). Results showed that the region had a strong effect on diet, effectively reducing the expected effect of morphologic similitude. While intra‐specific differences were only significant when populations inhabited different regions; interspecific differences were not as predicted, with different morphotypes having similar diets when populations inhabited the same regions. Rabbitfishes consumed more corticated and filamentous macroalgae on the GBR, more foliose and membranous macroalgae at the Yaeyama Islands, and more leathery macroalgae at Ningaloo Reef. The findings indicate that rabbitfishes have high diet plasticity, and hence their functional role as mediators of competition between macroalgae and corals can change across biogeographic regions. Local context is therefore important when assessing the diet and functional role of herbivorous fishes. As climate change unfolds, shifts in the distribution, trophic behaviour and function of species are expected, making the study of trophic plasticity more important.
Estimating pathogen‐spillover risk using host–ectoparasite interactions
Authors: Brennan Reilly N. , Paulson Sally L. , Escobar Luis E. 
Published: June 2024

AbstractPathogen spillover corresponds to the transmission of a pathogen or parasite from an original host species to a novel host species, preluding disease emergence. Understanding the interacting factors that lead to pathogen transmission in a zoonotic cycle could help identify novel hosts of pathogens and the patterns that lead to disease emergence. We hypothesize that ecological and biogeographic factors drive host encounters, infection susceptibility, and cross‐species spillover transmission. Using a rodent–ectoparasite system in the Neotropics, with shared ectoparasite associations as a proxy for ecological interaction between rodent species, we assessed relationships between rodents using geographic range, phylogenetic relatedness, and ectoparasite associations to determine the roles of generalist and specialist hosts in the transmission cycle of hantavirus. A total of 50 rodent species were ranked on their centrality in a network model based on ectoparasites sharing. Geographic proximity and phylogenetic relatedness were predictors for rodents to share ectoparasite species and were associated with shorter network path distance between rodents through shared ectoparasites. The rodent–ectoparasite network model successfully predicted independent data of seven known hantavirus hosts. The model predicted five novel rodent species as potential, unrecognized hantavirus hosts in South America. Findings suggest that ectoparasite data, geographic range, and phylogenetic relatedness of wildlife species could help predict novel hosts susceptible to infection and possible transmission of zoonotic pathogens. Hantavirus is a high‐consequence zoonotic pathogen with documented animal‐to‐animal, animal‐to‐human, and human‐to‐human transmission. Predictions of new rodent hosts can guide active epidemiological surveillance in specific areas and wildlife species to mitigate hantavirus spillover transmission risk from rodents to humans. This study supports the idea that ectoparasite relationships among rodents are a proxy of host species interactions and can inform transmission cycles of diverse pathogens circulating in wildlife disease systems, including wildlife viruses with epidemic potential, such as hantavirus.
Environmental correlates of the forest carbon distribution in the Central Himalayas
Authors: Khanal Shiva , Nolan Rachael H. , Medlyn Belinda E. , Boer Matthias M. 
Published: June 2024

AbstractUnderstanding the biophysical limitations on forest carbon across diverse ecological regions is crucial for accurately assessing and managing forest carbon stocks. This study investigates the role of climate and disturbance on the spatial variation of two key forest carbon pools: aboveground carbon (AGC) and soil organic carbon (SOC). Using plot‐level carbon pool estimates from Nepal's national forest inventory and structural equation modelling, we explore the relationship of forest carbon stocks to broad‐scale climatic water and energy availability and fine‐scale terrain and disturbance. The forest AGC and SOC models explained 25% and 59% of the observed spatial variation in forest AGC and SOC, respectively. Among the evaluated variables, disturbance exhibited the strongest negative correlation with AGC, while the availability of climatic energy demonstrated the strongest negative correlation with SOC. Disturbances such as selective logging and firewood collection result in immediate forest carbon loss, while soil carbon changes take longer to respond. The lower decomposition rates in the high‐elevation region, due to lower temperatures, preserve organic matter and contribute to the high SOC stocks observed there. These results highlight the critical role of climate and disturbance regimes in shaping landscape patterns of forest carbon stocks. Understanding the underlying drivers of these patterns is crucial for forest carbon management and conservation across diverse ecological zones including the Central Himalayas.
Heterospecific interaction in two beetle species: Males with weapons decrease the reproductive success of species with weaponless males
Authors: Onishi Rui , Matsumura Kentarou 
Published: June 2024

AbstractMany species often show male–male combat for mating opportunities and resources within the species. Sexual selection through this radical combat leads to the evolution of males with exaggerated traits used as weapons, such as horns or mandibles, that often result in victory during combat. However, heterospecific interaction due to errors in species identification has often been observed, which results in decreased mating opportunities within the same species and fewer fertilized eggs. Males with exaggerated weapons may show dominance in resource acquisition over males without weapons and may decrease the reproductive success of the latter due to competition between the two. However, few studies have examined heterospecific interaction focusing on males with or without weapons. In this study, we investigated the effects of the male weapon on reproductive traits in heterospecific interaction in two species: the broad‐horned flour beetle (Gnatocerus cornutus), in which males have exaggerated weapon traits; and the red flour beetle (Tribolium castaneum), in which males have no weapon traits. Both species are closely related and use the same food resources. G. cornutus males interfered with the resource acquisition and reproductive opportunities of T. castaneum by attacking T. castaneum. The reproductive success of T. castaneum decreased when they cohabited with G. cornutus males. These findings show that male weapon traits, which are important for sexual selection within the same species, can also greatly influence reproduction in other species.