bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dehydrogenative Coupling Reactions with Guanidino‐Functionalized Aromatics
Authors: Walter Petra , Schulz Maximilian , Hübner Olaf , Poddelskii Andrei , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: October 2024

AbstractDehydrogenative coupling (DC) reactions are of importance for the construction of new carbon‐element bonds in synthetic organic chemistry. In this work, we report on the synthesis and characterization of several redox‐active guanidino‐functionalized aromatic molecules (GFAs) for use in DC (C−C and C−O) reactions. In a systematic approach, we first characterize the new DC reagents in all relevant redox and protonation states, and compare their performance in competitive test proton‐coupled electron transfer (PCET) reactions. Then, their use in four different DC reactions with different mechanisms is evaluated.
Non‐fused Nonfullerene Acceptors with an Asymmetric Benzo[1,2‐b:3,4‐b′, 6,5‐b”]trithiophene (BTT) Donor Core and Different AcceptorTerminal Units for Organic Solar Cells
Authors: Khokhlov A. R. , Keshtov M. L. , Shikin D. Ya. , Godovsky D. Y. , Sergeev V. N. , Liu J. , Kalinkin D. P. , Alekseev V. G. , S Shyam Shankar , Sharma Ganesh D. 
Published: October 2024

AbstractHere in, we have designed two new unfused non‐fullerene small molecules using asymmetric benzo[1,2‐b:3.4‐b′, 6,5‐b”]trithiophene (BTT) as the central donor core and different terminal units i. e., 2‐(3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile (NFA‐4) and 1,3‐diethyl‐2‐thioxodi hydropyrimidine‐4,6 (1H,5H)‐dione (NFA‐5) and examined their optical and electrochemical properties. Using a wide band‐gap copolymer D18, organic solar cells (OSCs) based on bulk heterojunction of D18:NFA‐4 and D18:NFA‐5 showed overall power conversion efficiency (PCE) of about 17.07 % and 11.27 %, respectively. The increased PCE for the NFA‐4‐based OSC, compared to NFA‐5 counterpart, is due higher value of short circuit current (JSC), open circuit voltage (VOC), and fill factor (FF). Following the addition of small amount of NFA‐5 to the binary bulk heterojunction D18:NFA‐4, the ternary organic solar cells attained a PCE of 18.05 %, surpassing that of the binary counterparts due to the higher values of which is higher than that for the binary counterparts and attributed to the increased values of JSC, FF, and VOC. The higher value of JSC is linked to the efficient use to excitons transferred from NFA‐5 to NFA‐4 with a greated dipole moment than NFA‐5 and subsequently dissociated into a free charge carrier efficiently.
Rational Assembly of Three‐component Coordination Polymers as Heterogeneous Catalysts for CO2 Cycloaddition and Cyanosilylation Reactions
Authors: Huang Jian‐Bo , Yin Lin , Yue Tian‐Cai , Wang Lu‐Lu , Wang Duo‐Zhi 
Published: October 2024

AbstractFour new coordination polymers based on 5‐(((1H‐imidazol‐2‐yl)methyl)amino) isophthalic acid (H3L) and auxiliary ligands (1,10‐phenanthroline, 2,2′‐bipyridine, and 4,4′‐bipyridine), namely, {[Zn(HL)(phen)(H2O)] ⋅ 2H2O}n (CP 1), {[Ni(HL)(phen)(H2O)]}n (CP 2), {[Ni(HL)(2,2′‐bpy)(H2O)] ⋅ 2H2O}n (CP 3) and {[Cd(HL)(4,4′‐bpy)0.5(H2O)] ⋅ 2H2O}n (CP 4) were rationally assembled. Furthermore, these four CPs were screened as heterogeneous catalysts for CO2 cycloaddition and cyanosilylation reactions under mild conditions. The catalytic experiments showed that CP 1 had the better catalytic performance, excellent substrate tolerance and recyclability for the above two reactions. It is speculated that the excellent activity of CP 1 may be due to the open Lewis base site and the Lewis acidic characteristics of the zinc (II) center. After five cycles, the catalytic activities of CP 1 did not significantly decrease, and the structures remained unchanged. Therefore, the CP 1 was considered efficient and stable heterogeneous catalysts for above the two reactions.
Meta‐Analysis Comparing Oral Anticoagulant Monotherapy Versus Dual Antithrombotic Therapy in Patients With Atrial Fibrillation and Stable Coronary Artery Disease
Authors: Ahmed Mushood , Ahsan Areeba , Shafiq Aimen , Ahmed Raheel , Alam Mahboob , Sabouret Pierre , Rana Jamal S. , Fonarow Gregg C. 
Published: October 2024

ABSTRACTBackgroundOral anticoagulants (OACs) are routinely used for the management of atrial fibrillation (AF) while antiplatelet agents are used in coronary artery disease (CAD). However, data regarding the comparative clinical outcomes of OAC monotherapy versus dual antithrombotic therapy (anticoagulant plus antiplatelet agent) in patients with AF and stable CAD are limited.MethodsA comprehensive search of major databases including PubMed/MEDLINE, Cochrane Library, and Embase was performed from inception to September 1, 2024 to identify randomized control trials (RCTs) that compared OAC monotherapy with dual antithrombotic therapy in patients with AF and stable CAD. The risk ratios (RRs) were estimated with corresponding 95% confidence intervals (CIs) for all outcomes.ResultsA total of three RCTs reported data for 3945 patients with AF and stable CAD. The mean age of patients was 73.8 (±11.85) years and the mean follow‐up was 22 months. OAC monotherapy was associated with a significantly reduced relative risk of major bleeding (RR: 0.55, 95% CI: 0.32–0.95) compared to dual therapy. The risk of all‐cause death (RR: 0.85, 95% CI: 0.49–1.48), cardiovascular death (RR: 0.84, 95% CI: 0.50–1.41), any stroke event (RR: 0.74, 95% CI: 0.46–1.18), and myocardial infarction (RR: 1.57, 95% CI: 0.79–3.12) remained comparable across the two groups.ConclusionOAC monotherapy led to a significant relative risk reduction for major bleeding with similar rates of ischemic events and mortality compared to dual antithrombotic therapy in patients with AF and stable CAD.
Low‐cost 0D and 2D carbon material co‐decorated titanium dioxide ternary heterojunction for rapid and efficient bacteria killing under visible light
Authors: Li Yuan , Yuan Peng‐Feng , Wang Chao‐Feng , Liu Xiang‐Mei , Zhu Sheng‐Li , Li Zhao‐Yang , Cui Zhen‐Duo , Jiang Hui , Chu Paul K. , Wu Shui‐Lin 
Published: October 2024

AbstractRecently, the issue of bacterial resistance has gotten worse because of the overuse of antibiotics. The newborn superbacteria, such as vancomycin‐resistant bacteria, were hard to kill, inspiring researchers to find new ways to kill the bacteria efficiently. TiO2 was used as an efficient photocatalyst for water splitting and pollutant degradation. However, the weak efficiency limited the application to solve the drug‐resistance problem. Consequently, the incorporation of low‐cost 0D carbon quantum dots (CQDs) and 2D graphene oxide (GO) was pursued to amplify the visible light absorption capabilities of TiO2 and thereby elevate its photocatalytic activity. After forming the heterogeneous interface of CQDs and TiO2, CQDs converted part of visible light into wavelength less than 400 nm using the up‐conversion property. The modification of CQDs enabled electrons to be easily transferred from the conduction band of CQDs to the conduction band of TiO2. Meanwhile, GO can act as an electron acceptor, reduce the recombination efficiency of holes and electrons, and transfer the photogenerated electrons in the redox reaction in the heterogeneous interface. Because of the excellent absorption of GO, TiO2/CQDs/GO reached 57.8°C after 20 min irradiation under 1.5 times sunlight, which provided a prerequisite for photodynamic antibacterial therapy/photothermal antibacterial therapy synergistic antibacterial potential. TiO2/CQDs/GO possessed an antibacterial efficiency as high as 99.3% toward Staphylococcus aureus which has a bright future in disinfection in vivo and medical devices as well as water sterilization.
Copper‐based materials in anode electrode of aqueous zinc metal batteries
Authors: Li Hai‐Long , Liu Zhe‐Xuan , Tang Yan , Liang Shu‐Quan , Fang Guo‐Zhao 
Published: October 2024

AbstractAqueous zinc metal batteries have attracted much attention in the field of large‐scale energy storage due to their abundant resources, high safety, low cost, and high theoretical energy density. However, Zn anodes suffer from serious problems such as dendrite growth, hydrogen evolution reaction, corrosion, and passivation. Cu‐based materials have a wide range of applications in Zn anodes due to their excellent zincophilicity. Unfortunately, relevant review on Cu‐based materials in anode electrode is still lacking. This review focuses on the progress, issues, and optimization strategies of Cu‐based materials in Zn anodes. The application of Cu collectors in Zn anodes and the corresponding modifications are also highlighted. Finally, insights and future directions related to Cu‐based materials for modified Zn anode and Cu collectors are presented to provide scientific guidance for future research.
Functional diversity of ground beetles improved aphid control but did not increase crop yields on European farms
Authors: Bucher Roman , Batáry Péter , Baudry Julia , Beaumelle Léa , Čerevková Andrea , de la Riva Enrique G. , Dirilgen Tara , Gallé Róbert , Kesse‐Guyot Emmanuelle , Rembiałkowska Ewa , Rusch Adrien , Stanley Dara A. , Ulrich Werner , Birkhofer Klaus 
Published: October 2024

AbstractLand‐use intensification is often associated with a decline in functional diversity, potentially undermining the provision of ecosystem services. However, how changes in traits affect ecosystem processes remains poorly understood. Variation in trait values among species in a community may drive ecosystem processes. Alternatively, the mass ratio hypothesis proposes that trait values of the dominant species in a local community are related to ecosystem processes. Using data from 159 farms in six European countries, we quantified the impact of local and landscape‐level land‐use intensity on ground beetles as pest control agents. We then assessed the extent to which functional diversity and community‐weighted mean trait values relate to pest control and cereal yield. In addition, we assessed how the responses to land use and the effects of different species on pest control and yield varied with their traits to compare the relative impact of the traits studied. Functional diversity of ground beetles improved aphid removal, but did not translate into higher crop yields. Pest control of aphids was enhanced by a higher proportion of smaller, mobile ground beetles with a preference for the vegetation layer. Smaller, predatory ground beetles in communities improved crop yield. The magnitude of responses to land‐use intensification and the effects on pest control and yield were more strongly influenced by body size than other traits. Our study provides evidence that reduced management intensity can improve pest control by supporting small‐sized, macropterous ground beetles. In contrast to the claims of ecological intensification, our joint analysis of the direct effects of land use on yield and indirect effects via functional diversity of ground beetles and pest control suggests that ecosystem services by ground beetles cannot compensate for the yield gap due to a reduction in land‐use intensity.
Ecological drivers of sexual size dimorphism in northern chamois
Authors: Reiner Rudolf , Corlatti Luca 
Published: October 2024

AbstractMale‐biased sexual size dimorphism (SSD) is common in ungulates. The dominant scenario for the evolution of ungulate SSD suggests that habitat openness leads to greater SSD by increasing group size and thus sexual selection through male–male competition for mates. At a more proximate level, adaptive changes in SSD may result from the plastic response of individuals to environmental variation. In this study, we used 161,948 body mass data from a seasonally size‐dimorphic species, the northern chamois Rupicapra rupicapra, to examine the role of forest cover and other environmental variables in the expression of SSD. Data were collected from individuals hunted in the Austrian Alps, grouped into 28 mountain ranges with different forest cover, geological substrate and population density. Population‐specific growth curves were fitted using monomolecular models, and SSD was calculated as the log‐transformed ratio of male to female asymptotic body mass. A path model in which environmental factors indirectly influenced SSD via male or female body mass suggested that SSD increased with increasing density via reduced female body mass and decreased on siliceous substrates via reduced male body mass. Forest cover was negatively associated with body mass in both sexes, but not with variation in SSD.
Enrichment of low‐abundance osteopontin in bovine milk via reciprocating free‐flow isoelectric focusing
Authors: Chen Ke‐Er , Tian Youli , Cao Yiren , Yu Zixian , Zhang Qiang , Liu Weiwen , Xing Yishu , Cao Chengxi , Mu Zhishen , Xu Xu 
Published: October 2024

AbstractOsteopontin (OPN) in milk plays an important role in intestinal and brain development in early infancy, and great attention has been focused on OPN isolation to add extra OPN in infant formula. However, large‐scale OPN isolation is limited by the low efficiency of sample pretreatment. Herein, we utilized preparative reciprocating free‐flow isoelectric focusing (RFFIEF) to showcase the enrichment of low‐abundance OPN in bovine milk, which contained an extremely high concentration of unwanted proteins. The reciprocating IEF format and the design of the multi‐channel collector allowed us to enrich OPN in 1 L milk within 6 h. We removed 97.5% of unwanted proteins and obtained an enrichment factor of 11. Thus, our RFFIEF method can be applied to the preparative pretreatment of the large‐scale milk sample and potentially improve the efficiency of downstream OPN purification.
Random‐positioned‐sampling effect on probabilistic seismic demand modeling of modularized suspended buildings with free‐standing objects and architectural function regioning
Authors: Ye Zhihang , Liu Xuanting 
Published: October 2024

AbstractThe definition of the targeted engineering demand parameters (EDPs) is important to probabilistic seismic demand modeling (PSDM), which produces probability density functions of EDPs conditioned on seismic intensity measure (IM). The targeted EDPs are usually defined at the group level to account for multiple components/units. Thus, they are affected by the considered range of units, i.e., the sample positions. For instance, the maximum peak floor acceleration (PFA) within the whole building differs from the maximum among only the important positions related to seismic loss. Additional uncertainties are induced in the PSDM of PFA if the sample positions vary when architectural function and non‐structural elements change. In this study, the aforementioned influence is termed random‐positioned‐sampling (RPS) effect, and it is investigated by targeting a modularized suspended building, which features the tuning mechanism, multiple major modes, uneven response envelopes, and notable non‐structural‐object‐structure interactions (NSOSI). Results show that the RPS effect lowers the maximum‐based group‐level EDP and increases the dispersion within the EDP sample sets, indicating that conventional PSDMs without considering the RPS effect are biased. The significance of the influence is positively correlated to the position‐wise coefficient of variation of EDP but negatively correlated to the density of sample positions. The combined influence of the NSOSI and the RPS effect is two‐sided for PSDM. The NSOSI amplifies the RPS effect via enlarging position‐wise dispersion of EDP, whereas, the RPS effect waives part of the detrimental scattered contributions from NSOSI. Overall, the IM performance is handicapped, even with IM optimization. However, it can be compensated if architectural function region information is acquired beforehand since the sample positions are restrained.
Experimentally‐based in‐plane drift limits for the upper threshold of masonry light damage
Authors: Korswagen Paul A. , Rots Jan G. , Terwel Karel C. 
Published: October 2024

AbstractDrift limits are useful thresholds; during design or retrofitting analyses, engineers can compare the expected behaviour of a structure to drift limits that predict when the structure will reach a certain condition. This helps ensure that structures satisfy specified performance goals when exposed to certain hazards. Masonry walls are susceptible to damage from lateral in‐plane actions such as wind or earthquake loading; ensuring that in‐plane drift remains sufficiently small will help limit this damage. Drift limits based on crack‐based damage are scarce, however, with DS1 limits being extrapolated from higher damage grades based on structural strength capacity or ductility. In this work, crack‐based damage is evaluated on a multitude of full‐scale experimental walls surveyed with digital image correlation. This method observes the initiation and propagation of cracking. Cyclically incremental in‐plane tests provide a range of drift‐damage relationships. These are explored with machine learning to determine influential predictors and ultimately establish drift limits for light damage. Two types of brick masonry are explored: fired‐clay and calcium‐silicate. For the latter, light damage begins at an in‐plane drift of 0.5 mm/m and can extend to 4.8 mm/m (or 0.48%) for the former before the masonry surpasses light damage and reaches structural damage grades. In comparison to drift limits set by other authors and (international) guidelines to characterise light damage, significant damage, or the ultimate capacity of masonry walls, the resulting drift limits for light damage from this work are set directly on the basis of experiments and are in good agreement with other authors. Most importantly, all the consulted values for ultimate capacity are much larger than the upper threshold for light damage determined herein, with limits for significant damage in the same order of magnitude. This result verifies the accuracy of the experimental crack‐based characterisation used to establish the drift thresholds.
Probiotic Lactobacillus plantarumLP28 and Saccharomyces cerevisiae improve the bioactive content and quality of fruit‐based rice beverage
Authors: Aregbe Afusat Yinka , Boasiako Turkson Antwi , Xiong YuQing , Rahman Md. Hafizur , Ma Yongkun 
Published: October 2024

AbstractThe increasing demand for plant‐based beverages with improved functional and sensory qualities has guided this study, which examines the bioactive content, functional, and sensory properties of a rice, apple pomace, and sea buckthorn beverage (RASB) fermented with probiotic Lactobacillus plantarum and Saccharomyces cerevisiae. We found out that total polyphenol content (TPC), total flavonoid content (TFC), and β‐carotene were significantly higher in samples with Saccharomyces cerevisiae, particularly in coculture samples. These samples also exhibited elevated alcohol by volume (ABV). Monoculture samples showed increased total flavonol content (TFLC), total anthocyanin content (TAC), and proanthocyanidin. The RASB‐LP sample, containing only Lactobacillus plantarum, revealed the highest antioxidant properties, evidenced by DPPH (94.13 ± 0.05%) and ABTS (97.69 ± 0.09%) assays. Interestingly, 3‐methylbutyl 3‐methylbutanoate, abundant in the unfermented control, was hydrolyzed to 3‐methyl‐1‐butanol in fermented samples, especially those containing Saccharomyces cerevisiae. Sensory evaluation evidenced that RASB‐LP scored highest for aroma and overall acceptability. FTIR analysis also indicated changes in functional groups of RASB samples. Together, our findings suggest that a novel probiotic cereal beverage with enhanced quality can be developed through the addition of fruit and fruit pomace, coupled with fermentation using Lactobacillus plantarum LP28 and Saccharomyces cerevisiae.
Adolescent mental well‐being in time of crises: The role of social and residential contexts
Authors: Bitar Sarah , Minary Laetitia , Lalloué Benoit , Kestens Yan , Manneville Florian , O'Loughlin Jennifer , Ligier Fabienne , Agrinier Nelly 
Published: October 2024

AbstractBackgroundThe extent of the impact and the interconnections among factors within social and residential contexts during the COVID‐19 lockdowns on mental well‐being remain to be elucidated. We identified latent classes of each of social and residential context during the lockdown and examined their associations with mental well‐being among adolescents in France 1‐year after the first lockdown.MethodsWe used data collected in 2021 in a cross‐sectional school‐based pilot study for EXIST, from 387 participants ages 12–15 years. Participants reported retrospectively on characteristics of their social and residential contexts during the lockdown, and their current mental well‐being in self‐report questionnaires. We used latent class analysis to identify latent classes of social and residential contexts, and linear regression models to examine the associations between these contexts and mental well‐being.ResultsFour social context classes were identified: class 1 “Low opportunity for social contact at home,” class 2 “Moderate opportunity for social contact at home,” class 3 “High opportunity for social contact at home,” and class 4 “Very high opportunity for social contact at home.” Relative to class 4, lower levels of mental well‐being were observed among adolescents in class 1 (b = −4.08, 95% CI [−8.06; −0.10]) 1 year after the lockdown. We identified four residential context classes based on proximity to nature, type of residence (e.g., apartment, house), and level of neighborhood deprivation. No association was detected between residential context during the lockdown and adolescent mental well‐being one‐year later.ConclusionA limited social context may negatively impact adolescent mental well‐being during crises.
Biochemical Properties of Synaptic Proteins Are Dependent on Tissue Preparation: NMDA Receptor Solubility Is Regulated by the C‐Terminal Tail
Authors: Won Sehoon , Sweeney Colin L. , Roche Katherine W. 
Published: October 2024

ABSTRACTSynaptic proteins are essential for neuronal development, synaptic transmission, and synaptic plasticity. The postsynaptic density (PSD) is a membrane‐associated structure at excitatory synapses, which is composed of a huge protein complex. To understand the interactions and functions of PSD proteins, researchers have employed a variety of imaging and biochemical approaches including sophisticated mass spectrometry. However, the field is lacking a systematic comparison of different experimental conditions and how they might influence the study of the PSD interactome isolated from various tissue preparations. To evaluate the efficiency of several common solubilization conditions, we isolated receptors, scaffolding proteins, and adhesion molecules from brain tissue or primary cultured neurons or human forebrain neurons differentiated from induced pluripotent stem cells (iPSCs). We observed some striking differences in solubility. We found that N‐methyl‐d‐aspartate receptors (NMDARs) and PSD‐95 are relatively insoluble in brain tissue, cultured neurons, and human forebrain neurons compared to α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionic receptors (AMPARs) or SAP102. In general, synaptic proteins were more soluble in primary neuronal cultures and human forebrain neurons compared to brain tissue. Interestingly, NMDARs are relatively insoluble in HEK293T cells suggesting that insolubility does not directly represent the synaptic fraction but rather it is related to a detergent‐insoluble fraction such as lipid rafts. Surprisingly, truncation of the intracellular carboxyl‐terminal tail (C‐tail) of NMDAR subunits increased NMDAR solubility in HEK293T cells. Our findings show that detergent, pH, and temperature are important for protein preparations to study PSD protein complexes, and NMDAR solubility is regulated by its C‐tail, thus providing a technical guide to study synaptic interactomes and subcellular localization of synaptic proteins.