bluuebunny/crossref_metadata_2025_split huggingface dataset:
Screening of an Antibacterial and Coagulation Multifunctional Peptide and Its Application in Wound Healing
Authors: Zhang Shengjie , Zhang Rong , Li Chunxiao , Cong Hailin , Yu Bing 
Published: December 2024

AbstractAs a new type of drug developed in the era of antibiotics, antimicrobial peptides (AMPs) have great potential in antibacterial, antiviral and antitumor aspects. Different from the principle of action of antibiotics, AMPs have a better effect on resisting drug‐resistant bacteria. We synthesized a peptide library using solid‐phase synthesis and successfully screened the antimicrobial peptide RKGAK. AMPs provide effective defense against both bacteria and fungi. Research has found that the lowest inhibitory concentrations of RKGAK against S. aureus, E. coli, and C. albicans are 75 μg/mL, 100 μg/mL, and 300 μg/mL. Not only that, this antibacterial peptide also has certain antiviral and coagulation effects. It is a multifunctional peptide that has great potential in many biomedical fields. It also has the advantages of being less likely to develop drug resistance, low hemolytic activity and low cytotoxicity. Loading the peptide into hydrogels has achieved good results in applications that promote wound healing.
Dehydrocoupling of Phosphine‐Borane Adducts Under Ambient Conditions Using Aminoboranes as Hydrogen Acceptors
Authors: Wiebe Matthew A. , Staubitz Anne , Manners Ian 
Published: December 2024

AbstractWe report on the reactivity of aminoboranes (R2N=BH2; R = iPr, Et, Me) with phosphine‐borane adducts (PhR′PH ⋅ BH3; R′ = H, Ph): Sufficiently sterically unencumbered aminoboranes can accept hydrogen from phosphine‐borane adducts. The hydrogen transfer results in the formation of amine‐borane adducts (R2NH ⋅ BH3) and transient phosphinoboranes (PhR′P−BH2) in situ. These phosphinoboranes undergo subsequent reactivity to yield either polyphosphinoborane, [PhPH−BH2]n, or the linear dimer, Ph2PH ⋅ BH2−Ph2P ⋅ BH3. Unlike metal catalyzed phosphine‐borane dehydrocoupling, which occurs at elevated temperatures (2 M, toluene, ≥100 °C, ≥24 h), these dehydrocoupling reactions occur under ambient conditions (2 M, Et2O or C6D6, 20 °C, ≤24 h). We performed a computational mechanistic study in which we identified that this transformation potentially occurs via a P‐to‐N and B‐to‐B hydrogen transfer through a 6‐membered transition state.
Advances in Chiral Macrocycles: Molecular Design and Applications
Authors: Sun Zhihong , Tang Hao , Wang Lingyun , Cao Derong 
Published: December 2024

AbstractChiral macrocycles have recently emerged as promising materials for enantioselective recognition, asymmetric catalysis, and circularly polarized luminescence (CPL) due to their terminal‐free structure, preorganized chiral cavities, and unique host‐guest and self‐assembly properties. This review summarizes recent advances in the design and synthesis of chiral macrocycles with central, axial, helical, and planar chirality, each imparting distinct structural and chiroptical characteristics. We highlight key strategies for constructing these macrocycles and their applications in optoelectronic and catalytic systems. Emphasis is placed on the balance between rigidity and flexibility in macrocycle design, essential for effective molecular recognition, adaptable catalysis, and CPL. We conclude with perspectives on future opportunities, anticipating ongoing developments in chiral macrocycle research.
On the Reactivity of (S)‐Indoline‐2‐Carboxylic Acid
Authors: Cordella Fabiana , Faure Sophie , Taillefumier Claude , Pescitelli Gennaro , Martinelli Elisa , Alonci Giuseppe , Liu Zhengming , Angelici Gaetano 
Published: December 2024

ABSTRACT(S)‐Indoline‐2‐carboxylic acid (H‐(2S)‐Ind‐OH) possesses the ability to influence the conformation of peptide bonds towards the cis amide isomer in polar solvents. However, its potential utilization as a conformational switch within long peptide sequences poses challenges due to its low reactivity and strong inclination to form diketopiperazines. The present study explores its reactivity under various conditions and proposes synthetic strategies to overcome these limitations. A series of H‐(2S)‐Ind‐OH containing di‐ and tri‐peptides have been efficiently synthesized and characterized, ready to be inserted in more complex and longer sequences.
Robust Encoding of Precise Addressing Information on AuNPs to Direct Their Heritable Positioning on DNA Origami†
Authors: Li Yuxi , Jiang Chu , Zhou Yanyu , Liu Huajie , Zhang Yinan 
Published: December 2024

Comprehensive SummaryThe programmability of DNA assembly allows for the creation of gold nanostructures with custom shapes and tailored optical properties, holding promise for applications including single‐molecule sensing and imaging. While DNA origami provides addressable site information for structure construction, there have been few studies on encoding information onto gold nanoparticles (AuNPs) to guide the assembly of Au‐DNA origami structures, especially for encoding extensive information onto large AuNPs (e.g., 30 nm). In this work, we introduce a strategy that encodes extensive information onto versatile AuNPs ranging in size from 5 nm to 30 nm using a DNA origami template (parent origami). This encoded information serves to direct the positioning of the AuNPs within a regenerated DNA origami structure (daughter origami). Our findings demonstrate the successful assembly of AuNPs ranging from 5 nm to 30 nm on the same site of the daughter DNA origami as the parent DNA origami, with yields of up to 80%. This approach offers new possibilities for achieving precise control over AuNPs assembly and functionality.
Fluorenyl Radicals Stabilized by Donor‐π‐Radical Conjugation between Nitrogen Atoms and Carbon Radicals
Authors: Zhang Xinfang , Tong Zekun , Dong Shaoqiang 
Published: December 2024

Comprehensive SummaryA design strategy towards stable fluorenyl radicals (FRs) has been developed through introducing donor‐π‐radical (D‐π‐R) conjugation, facilitated by the linkage of amine N atoms and FR centers via phenyl or 9‐anthryl moieties. Four FRs, with or without N atom containing protecting groups, were designed and synthesized for comparative analysis. X‐ray crystallographic studies revealed the planar fluorenyl skeletons of CDP‐FR and MA‐FR, which exhibit significant dihedral angles relative to their protecting groups. Wiberg bond‐order analysis and natural bond orbital analysis conducted on the C‐C and C‐N bond between the radical center and N atoms in all FRs clearly demonstrated the presence of D‐π‐R conjugation. Furthermore, time‐dependent DFT calculations, based on frontier molecular orbital analysis, highlighted the contribution of D‐π‐R structures as donor‐acceptor effect on the lowest energy absorptions of carbazole and diphenylamine substituted CDP‐FR and DPAA‐FR, which would promote charge transfer process and inhibit the photodegradation reaction. Consequently, beneficial from D‐π‐R conjugations, CDP‐FR and DPAA‐FR exhibited superior photostability compared to TP‐FR and MA‐FR. Our study offers a new strategy for the design and synthesis of persistent stable monoradicals.
Synthesis and Properties of Naphtho‐fused Fluorenyl Radical
Authors: Shi Dan , Tian Xiaoqi , Wu Shuai , Huang Yanxia , Xu Jindong , Zhai Ziang , Xie Lili , Li Yuanming , Sun Zhe 
Published: December 2024

Comprehensive SummaryOpen‐shell graphene fragments (OGFs) with non‐benzenoid topologies are attracting increasing attention due to their potential applications in organic light‐emitting diodes (OLEDs) and organic radical conductors. Herein, we report the synthesis of an air‐stable fluorenyl radical derivative (AR1) containing a seven‐membered ring, achieving thermodynamic stabilization through the fusion of a naphthalene ring around its periphery and anthracene substituent. The half‐life times (τ1/2) of AR1 in air‐saturated solution is 71.9 h. The high stability was ascribed to kinetic blocking of reactive sites with high spin densities. The geometric and electronic structures of AR1 were systematically studied by combining various experimental methods and density functional theory (DFT) calculations, which include X‐ray crystallographic analysis, electron spin resonance (ESR), cyclic voltammetry, and UV−vis−NIR measurements.
Promoting rapeseed yield: Improving canopy structure and formation of large pod via adjusting planting density
Authors: Wang Long , Li Yiyang , Qian Chen , Li Jing , Lin Guobing , Qu Wenting , Wang Yan , Lin Yaowei , Huang Yihang , Zheng Jingdong , You Jingjing , Zuo Qingsong 
Published: December 2024

AbstractIncreasing planting density is a common practice to enhance rapeseed (Brassica napus L.) yield via an increase in pod quantity. However, excessive density may lead to a deterioration in pod quality. Therefore, we hypothesized that improving pod quality based on a certain level of pod quantity could further increase seed yield. A randomized block experiment was conducted with five density levels (2.4, 3.6, 4.8, 6.0, and 7.2 × 105 plants ha−1, referred to as D1, D2, D3, D4, and D5) using two hybrid varieties of Qinyou10 and Ningza1838. The plot seed yield reached the maximum value in D2 or D3, and there was no significant difference between these two density levels. An increase in planting density resulted in a decrease in canopy thickness, but an increase in lodging angle and pod density. According to the number of seeds per pod, the pods were categorized into low‐productive pod (≤14), middle‐productive pod (15‒17), and high‐productive pod (≥18). The number of high‐productive pod in D2 and D3 ranged from 48.15 × 106 to 54.22 × 106 ha−1, accounting for 53.76%‒63.28% of the total pod number and 76.89%‒82.83% of the total seed yield. With the planting density increasing from D3 to D5, there was a significant transition from high‐productive pod to middle‐productive and low‐productive pods, causing a decrease in seed yield. Therefore, when the seed yield was targeted as 4500 kg ha−1, the suitable planting density ranged from 3.6 × 105 to 4.8 × 105 plants ha−1, and the optimal number of pods in population ranged from 83.0 × 106 to 94.0 × 106 ha−1, and the quantity proportion of high‐productive pod maintained >50%. This study provides a guide for high‐yield cultivation of rapeseed in China and presents a novel approach to promoting a potential yield of rapeseed.
Genomic prediction of metabolic content in rice grain in response to warmer night conditions
Authors: Bi Ye , Walia Harkamal , Obata Toshihiro , Morota Gota 
Published: December 2024

AbstractIt has been argued that metabolic content can be used as a selection marker to accelerate crop improvement because metabolic profiles in crops are often under genetic control. Evaluating the role of genetics in metabolic variation is a long‐standing challenge. Rice, one of the world's most important staple crops, is known to be sensitive to recent increases in nighttime temperatures. Quantification of metabolic levels can help measure rice responses to high night temperature (HNT) stress. However, the extent of metabolic variation that can be explained by regression on whole‐genome molecular markers remains to be evaluated. In the current study, we generated metabolic profiles for mature grains from a subset of rice diversity panel accessions grown under optimal and HNT conditions. Metabolite accumulation was low to moderately heritable, and genomic prediction accuracies of metabolite accumulation were within the expected upper limit set by their genomic heritability estimates. Genomic heritability estimates were slightly higher in the control group than in the HNT group. Genomic correlation estimates for the same metabolite accumulation between the control and HNT conditions indicated the presence of genotype‐by‐environment interactions. Reproducing kernel Hilbert spaces regression and image‐based deep learning improved prediction accuracy, suggesting that some metabolite levels are under non‐additive genetic control. Joint analysis of multiple metabolite accumulation simultaneously was effective in improving prediction accuracy by exploiting correlations among metabolites. The current study serves as an important first step in evaluating the cumulative effect of markers in influencing metabolic variation under control and HNT conditions.
Simulating sagebrush–cheatgrass plant community biomass production in the Great Basin using ALMANAC
Authors: Schantz Merilynn C. , Kiniry James R. , Williams Amber S. , Thorp Kelly R. , Newingham Beth , Hardegree Stuart P. , Williams C. Jason , Davies Kirk W. , Sheley Roger L. 
Published: December 2024

AbstractCheatgrass (Bromus tectorum) is a widespread species of concern throughout the western US, as it dominates many low‐elevation rangelands and continues to spread annually. As a winter annual grass, however, cheatgrass can produce high‐quality and cheap protein forage for livestock early in the growing season. Estimating biomass can lead to better management in these western United States and Great Basin plant communities. The present study was designed to evaluate the accuracy of biomass simulations in Great Basin plant communities using the process‐based Agricultural Land Management Alternative with Numerical Assessment Criteria (ALMANAC) model as it simulates biomass production and competing species interactions. For this study, data were used from the Sagebrush Steppe Treatment Evaluation Project to simulate cheatgrass, perennial grass, forb, and sagebrush biomass across three community types: native, invaded, and a co‐dominated community of sagebrush, perennial grasses, cheatgrass, and forbs at six representative Great Basin sites from 2006 to 2018. Our results indicated a strong relationship between simulated and measured biomass of total cheatgrass and perennial grasses across the three plant communities. Sagebrush and forb biomass were poorly simulated across most plant community types. Model accuracy also varied by site, largely depending on elevation. We saw high variability in simulated biomass across years, likely because of the single point‐in‐time measurements at peak biomass and the low biomass values of cheatgrass and forbs. Collectively, ALMANAC shows potential for assessing biomass production and plant interactions but will require more data and model development to fully comprehend its utility.
Dynamic conditioning of porcine kidney grafts with extracellular vesicles derived from urine progenitor cells: A proof‐of‐concept study
Authors: Burdeyron Perrine , Giraud Sébastien , Lepoittevin Maryne , Jordan Nina , Brishoual Sonia , Jacquard Maïté , Ameteau Virginie , Boildieu Nadège , Lemarie Estelle , Daniel Jonathan , Martins Frédéric , Mélis Nicolas , Coué Marine , Thuillier Raphaël , Leuvenink Henri , Pellerin Luc , Hauet Thierry , Steichen Clara 
Published: December 2024

Abstract Among strategies to limit ischemia/reperfusion (IR) injuries in transplantation, cell therapy using stem cells to condition/repair transplanted organs appears promising. We hypothesized that using a cell therapy based on extracellular vesicles (EVs) derived from urine progenitor cells (UPCs) during hypothermic and normothermic machine perfusion can prevent IR‐related kidney damage.We isolated and characterized porcine UPCs and their extracellular vesicles (EVs). Then these were used in an ex vivo porcine kidney preservation model. Kidneys were subjected to warm ischemia (32 min) and then preserved by hypothermic machine perfusion (HMP) for 24 h before 5 h of normothermic machine perfusion (NMP). Three groups were performed (n = 5–6): Group 1 (G1): HMP/vehicle + NMP/vehicle, Group 2 (G2): HMP/EVs + NMP/vehicle, Group 3 (G3): HMP/EVs + NMP/EVs.Porcine UPCs were successfully isolated from urine and fully characterized as well as their EVs which were found of expected size/phenotype. EVs injection during HMP alone, NMP alone, or both was feasible and safe and did not impact perfusion parameters. However, cell damage markers (LDH, ASAT) were decreased in G3 compared with G1, and G3 kidneys displayed a preserved tissue integrity with reduced tubular dilatation and inflammation notably. However, renal function indicators such as creatinine clearance measured for 5 h of normothermic perfusion or NGAL perfusate's level were not modified by EVs injection. Regarding perfusate analysis, metabolomic analyses and cytokine quantification showed an immunomodulation signature in G3 compared with G1 and highlighted potential metabolic targets. In vitro, EVs as well as perfusates from G3 partially recovered endothelial cell metabolic activity after hypoxia. Finally, RNA‐seq performed on kidney biopsies showed different profiles between G1 and G3 with regulation of potential IR targets of EVs therapy.We showed the feasibility/efficacy of UPC‐EVs for hypothermic/normothermic kidney conditioning before transplantation, paving the way for combining machine perfusion with EVs‐based cell therapy for organ conditioning.Highlights
UPCs from porcine urine can be used to generate a cell therapy product based on extracellular vesicles (pUPC‐EVs).
pUPC‐EVs injection during HMP and NMP decreases cell damage markers and has an immunomodulatory effect.
pUPC‐EVs‐treated kidneys have distinct biochemical, metabolic, and transcriptomic profiles highlighting targets of interest.
Our results pave the way for combining machine perfusion with EV‐based cell therapy for kidney conditioning.
Searching the Crystal Ball for Tailored GLP‐1 Receptor Agonists Treatment in Type 2 Diabetes and Obesity
Authors: Saturnino Asia , Maddaloni Ernesto , Zampetti Simona , Buzzetti Raffaella 
Published: December 2024

ABSTRACTBackgroundGlucagon‐like peptide 1 receptor agonists (RA) are novel agents used in the management of type 2 diabetes (T2D) and obesity. Although highly effective, the response to treatment may vary significantly among patients.ObjectiveThis perspective review aims to summarise the current knowledge about markers of poor or good response to GLP‐1 RA, highlighting the possibility of tailoring treatment strategies and reducing costs associated with T2D and obesity treatment.MethodsA comprehensive literature search was conducted using PubMed, NCBI, and Scopus databases, focussing on studies published between 2016 and 2024 that evaluated factors influencing treatment outcomes with GLP‐1 RA.ResultsSeveral markers, including baseline HbA1c levels, ghrelin and glucose‐dependent insulinotropic polypeptide (GIP) levels, specific gut microbiome composition, b‐cell function, and genetic markers, were identified as factors associated with treatment response.ConclusionUnderstanding predictive markers of response to therapy can enhance precision‐based medicine for the selection of patients eligible for GLP‐1 RA, improving clinical outcomes and optimising diabetes management.
The transformative potential of environmental governance integration for sustainable land use: The case of subsidence in the Dutch peatlands
Authors: van den Ende Mandy A. , Driessen Peter P. J. , Hegger Dries L. T. , Mees Heleen L. P. 
Published: December 2024

AbstractTransformations of existing systemic structures are needed to address the root cause of many environmental land‐use (ELU) problems: unsustainable land use. One policy principle that can help achieve such transformation entails integrating cross‐cutting ELU problems with non‐environmental policy domains, also known as environmental policy integration (EPI). Its transformative potential is disputed, however, because different forms of integration involve varying degrees of value attribution to environmental concerns vis‐à‐vis other policy goals. Since the EPI literature indicates this degree is greatly influenced by actors and institutions, we consider environmental governance integration (EGI) a more appropriate term for evaluations. Using the case of subsidence in the Dutch peatlands, we aim to provide insights into EGI's potential and scope for improvement in facilitating transformative change toward sustainable land use. Our study reveals generally low to moderate EGI, because ELU concerns were integrated within the boundaries of a land‐use system that prioritizes prevailing economic interests. This indicates EGI being a (business‐as‐usual) governance approach that merits the label economic governance integration, since (transformative) environmental governance integration would entail an exploration of a myriad of different sustainable land‐use options, irrespective of existing system structures. We recommend a cognitive shift as a precondition for institutional reform and politics favoring transformative governance.
Sex‐based differences in shot put, javelin throw, and long jump in 8‐and‐under and 9–10‐year‐old athletes
Authors: Brown Gregory A. , Shaw Brandon S. , Shaw Ina 
Published: December 2024

AbstractThere is an ongoing debate regarding the necessity for sex‐segregated sports particularly in youth. However, there has been minimal evaluation of prepubertal sex‐based differences in the events of shot put, javelin throw, and long jump. Therefore, the top eight performances from the USA Track and Field National Youth Outdoor Championships and National Junior Olympic Championships during the years 2016–2023 for shot put, javelin throw, and long jump in the 8‐and‐under and 9–10‐year‐old age groups were analyzed for sex‐based differences. The 8‐and‐under males threw the shot put farther (P < 0.0001 and Hedges’ g = 0.922) than females by 19.3% and the 9–10‐year‐old males threw the shot put farther (P = 0.016 and Hedges’ g = 0.332) than females by 6.5%. The 8‐and‐under males threw the javelin farther (P < 0.0001 and Hedges’ g = 1.269) than females by 32.6% and 9–10‐year‐old males threw the javelin farther (P < 0.0001 and Hedges’ g = 1.169) than females by 23.5%. The 8‐and‐under males long jumped farther (P = 0.010 and Hedges’ g = 0.359) than females by 4.7% and 9–10‐year‐old age males long jumped farther (P = 0.007 and Hedges’ g = 0.552) than females by 3.9%. The average between sex differences were larger than the within sex differences between the first through fourth place finishers in all but 9–10‐year‐old shot put. In all events, the greatest individual distance for a male exceeded that for a female. Therefore, the present data indicate that, in elite competition, males in the 8‐and‐under and 9–10‐year‐old age groups typically performed long jump and throw the shot put and javelin farther than females of the same age.
Application of machine learning for optimization and modeling of turbidity removal from aqueous solution
Authors: Dutta Neelanjan , Dey Pankaj , Pal Joy 
Published: December 2024

AbstractTurbidity affects the aesthetic and overall quality of water and therefore, its prediction and modeling are essential for designing treatment strategies. In the present research, the outcomes of altering parameters and optimizing the removal of turbidity using response surface methodology (RSM), artificial neural network (ANN), support vector machine (SVM), and K‐nearest neighbor (KNN) based on a statistically designed set of experiments are examined. pH, coagulant dose, and settling time are considered process variables. The optimum removal of turbidity was obtained at a pH range of 6–8, coagulant dosage of 20–35 mg/L, and settling time of 30–45 min for the coagulants. The best turbidity reduction (60%) was achieved using alum coagulant (30 mg/L), at a pH of 7.5 and settling time for 45 min. All the models proved to be effective in demonstrating how the operating variables being studied influence the removal of turbidity from the aqueous solution. In contrast to the RSM, SVM, and KNN models, the ANN more accurately characterized the parametric impact.