bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sol‐Gel Processed Metal‐Organic Complex as Robust Hole‐Transporting Layer Enabling Efficient Organic Solar Cells
Authors: Li Mengdi , Fang Jie , Cheng Yang , Gao Zihao , Fang Haisheng , Lu Ziheng , Zhao Chaowei , Zhang Jicai , Xiao Chengyi , Li Weiwei 
Published: December 2024

AbstractInorganic metal oxides and salts are widely employed as hole‐transporting layers (HTLs) in organic solar cells (OSCs) due to their advantages of low cost and facile preparation. However, issues such as severe agglomeration can negatively impact film quality, leading to reduced reproducibility and device stability. To address these challenges, this work reports the synthesis of a vanadium trichloride‐benzene tricarboxylic acid (BTC) complex (denoted as VB) via a sol‐gel process under mild conditions (60 °C annealing). The VB film demonstrates well‐aligned energy levels and enhanced conductivity when integrated with the PM6:L8‐BO active layer. Consequently, binary OSCs incorporating the VB HTL achieve a high‐power conversion efficiency (PCE) of up to 19.60%. Notably, the sol‐gel processing technique offers a versatile approach for the fabrication of metal‐organic complex, resulting in a uniform and dense film. The robust coordination metal‐organic network structure of VB endows the VB‐based OSCs with exceptional thermal stability, as evidenced by a T80 (PCE retention to 80% of the initial value) lifetime of 5142 h, which is among the best performances reported for state‐of‐the‐art OSCs.
Phase Modulation on Low‐Dimensional Perovskite for High Performance Blue Light Emitting Diodes
Authors: Wang Kangyang , Zou Shibing , Fan Kezhou , Zhang Zheng , Li Jiong , Chen Honggang , Zou Feilin , Wong Kam Sing , Xu Jianbin , Yan Keyou 
Published: December 2024

AbstractLayered low‐dimensional perovskite nanostructures have recently been utilized in blue perovskite light‐emitting diodes (PeLEDs), but excess organic ammonium spacers restrict charge transfer and radiative recombination, as well as device stability. Introducing diammonium can improve the stability due to the short distance between layered slices. However, the small n‐phases (n = 1, 2, 3) still cause the nonradiative recombination. Herein, 1,3,5‐Tris(1‐phenyl‐1H‐benzimidazole‐2‐yl) benzene (TPBi), is employed to control the film growth and modulate the phase purification for low‐dimensional perovskites. The coordination of imidazole with Pb2+ helps to mediate the growth and passivate defects. Transient absorption (TA) spectroscopy reveals that the incorporation of TPBi effectively suppresses the formation of the small‐n phase. The N‐type doping uplifts the Fermi energy level by 0.3 eV, ensuring balanced charge injection. Consequently, sky‐blue PeLEDs emitting at 488 nm achieve impressive external quantum efficiency (EQE) of 15.18%, a high brightness of 2358 cd m−2, and a low turn‐on voltage of 2.6 V. The blue PeLED exhibits a stable electroluminescent (EL) spectrum and a half‐lifetime (L0 = 100 cd m−2) of 740 s.
Continental‐scale interactions of Australian showy mistletoes and their hosts
Authors: Santiago‐Rosario Luis Y. , Book Jordan , Mathews Sarah 
Published: December 2024

AbstractPremiseShowy mistletoes are obligate hemiparasites of woody plants. Host specificity is therefore a fundamental determinant of mistletoe diversity, persistence, geographic distribution, and abundance. Investigations of host specificity in Australian Loranthaceae have focused mostly on host range (taxon counts), but additional insights into specificity are gained by quantifying mistletoe prevalence on taxa in their host range and by exploring specificity in a phylogenetic context.MethodsWe estimated measures of host specificity to characterize mistletoe–host interactions at a continental scale by using occurrence records in the Atlas of Living Australia. We calculated host taxon richness, mistletoe prevalence, and phylogenetic diversity, and used rarefaction curves to evaluate sampling coverage.ResultsMany mistletoe taxa were represented by few records that listed the host, which often was identified to genus only. Mistletoe genera were recorded on 29 orders and 80 families, and no association was observed between host richness and number of records per genus. Rarefaction curves suggested that additional host orders and families remain to be discovered for Amylotheca, Decaisnina, Dendrophthoe, and Muellerina. Four mistletoe genera were most prevalent on Myrtales, one on Fabales, and one on Laurales. Rosids were most often the recorded hosts (84.3% of all records). We found evidence of significant phylogenetic clustering in host use by Amyema, Amylotheca, and Decasinina.ConclusionsOur results, particularly the high prevalence on rosids, suggest that relationships of mistletoes with rainforest lineages may have been established early in the history of Australian Loranthaceae and that some lineages co‐diversified with their hosts in arid regions.
Insights Into the Role of π‐Electrons of Aromatic Aldehydes in Passivating Perovskite Defects
Authors: Jiang. Xiaoqing , Zhu Lina , Zhang Bingqian , Yang Guangyue , Zheng Likai , Dong Kaiwen , Yin Yanfeng , Wang Minhuan , Liu Shiwei , Pang Shuping , Guo Xin 
Published: December 2024

AbstractCarbonyl‐containing aromatic ketones or aldehydes have been demonstrated to be effective defect passivators for perovskite films to improve performances of perovskite solar cells (PSCs). It has been claimed that both π‐electrons within aromatic units and carbonyl groups can, separately, interact with ionic defects, which, however, causes troubles in understanding the passivation mechanism of those aromatic ketone/aldehyde molecules. Herein, we clarify the effect of both moieties in one molecule on the defect passivation by investigating three aromatic aldehydes with varied conjugation planes, namely, biphenyl‐4‐carbaldehyde (BPCA), naphthalene‐2‐carbaldehyde (NACA) and pyrene‐1‐carbaldehyde (PyCA). Our findings reveal that the π‐electrons located in the conjugated system do not directly present strong passivation for defects, but enhance the electron cloud density of the carbonyl group augmenting its interaction with defect sites; thereby, with the extended conjugation plane of the three molecules, their defect passivation ability is gradually improved. PSCs incorporating PyCA with the most extended π‐electrons delocalization achieve maximum power conversion efficiencies of 25.67 % (0.09 cm2) and 21.76 % (14.0 cm2). Moreover, these devices exhibit outstanding long‐term stability, retaining 95 % of their initial efficiency after operation for 1000 hours at the maximum power point.
The Intrinsic Fluorescence of Peptide Self‐Assemblies Across pH Levels
Authors: Wang Xiaoyu , Yang Yuqing , Yang Haokun , Dong Hao 
Published: December 2024

AbstractThe regulation of solution pH on the structural and optical properties of peptide self‐assemblies remains a critical yet unresolved issue in peptide research. This study investigates the heptapeptide Ac‐IHIHIQI‐NH2 and its intrinsic fluorescence across a range of pH levels, demonstrating that variations in pH lead to significant changes in the morphology of the self‐assembled structures. While the position of the fluorescence emission remains constant—due to the stability provided by the hydrogen bonding network of the peptide backbone—the intensity of the fluorescence exhibits a direct correlation with the degree of self‐assembly. This finding underscores a dynamic relationship between structural morphology and optical properties. Notably, the ability of the peptide to self‐assemble under diverse pH conditions is a novel observation that contrasts with previously reported literature. By employing a computationally driven approach, complemented by rigorous experimental validation, this work establishes a new paradigm for studying complex interacting systems such as peptide self‐assembly. Our findings enhance the understanding of how environmental factors influence peptide behavior and pave the way for the design of innovative peptide‐based materials with tunable optical characteristics, with potential applications in bioluminescent probes and diagnostic tools for neurodegenerative diseases.
Synthesis of Arenesulfenyl Fluorides and Fluorosulfenylation of Alkenes, Alkynes, and α‐Diazocarbonyl Compounds
Authors: Faialaga Nathan H. , Gephart Dana P. , Silva Breno D. , Liu Richard Y. 
Published: December 2024

AbstractSulfenyl fluorides are organic compounds of sulfur in formal oxidation state +2 with the formula R−S−F. Although the chloride, bromide, and iodide analogues have been extensively described in the literature, arenesulfenyl fluorides remain essentially unstudied. These structures have been implicated as putative intermediates in established processes to access polyfluorinated sulfur species; however, definitive and direct evidence of their existence has not been obtained, nor has a systematic understanding of their reactivity. Here, we report the synthesis, isolation, and spectroscopic characterization of several arenesulfenyl fluorides, including structural analysis of 2,4‐dinitrobenzenesulfenyl fluoride and 4‐cyano‐2‐nitrobenzenesulfenyl fluoride by single‐crystal X‐ray diffraction. The functional group undergoes direct, efficient, and highly regioselective anti‐addition to alkenes and alkynes, as well as insertion by carbenes. The resulting α‐ or β‐fluoro thioether adducts can be readily transformed into useful fluorinated motifs, for example by modification of the sulfur groups (to sulfonamides or sulfonyl fluorides), by sulfur elimination (to generate formal C−H fluorination products), or by Julia–Kocienski olefination (to form vinyl fluorides). Thus, we establish that sulfenyl fluorides are unexpectedly accessible and stable compounds, which serve as versatile reagents for the production of fluorinated organic compounds.
Circadian Control of Protein Synthesis
Authors: James Nathan R. , O'Neill John S. 
Published: December 2024

ABSTRACTDaily rhythms in the rate and specificity of protein synthesis occur in most mammalian cells through an interaction between cell‐autonomous circadian regulation and daily cycles of systemic cues. However, the overall protein content of a typical cell changes little over 24 h. For most proteins, translation appears to be coordinated with protein degradation, producing phases of proteomic renewal that maximize energy efficiency while broadly maintaining proteostasis across the solar cycle. We propose that a major function of this temporal compartmentalization—and of circadian rhythmicity in general—is to optimize the energy efficiency of protein synthesis and associated processes such as complex assembly. We further propose that much of this temporal compartmentalization is achieved at the level of translational initiation, such that the translational machinery alternates between distinct translational mechanisms, each using a distinct toolkit of phosphoproteins to preferentially recognize and translate different classes of mRNA.
Curcumin‐Derived Turn‐Off Fluorescent Probe for Copper (II) Ion Detection and Live Cell Imaging Applications
Authors: Rajam Pappian , Jeevika Alagan , Mahalakshmy Rajaram 
Published: December 2024

ABSTRACTA curcumin‐derived chemosensor 4,4′‐((1E,3Z,5Z,6E)‐3,5‐bis((2hydroxyphenyl)imino) hepta‐1,6‐diene‐1,7‐diyl)bis(2‐methoxyphenol) (HIBMP) was developed from curcumin and o‐aminophenol using Schiff base condensation method. HIBMP selectively recognizes Cu (II) ion (Cu (II)) relative to other tested metal ions. Selective binding of Cu (II) ion turns off the fluorescent property of HIBMP and shows no interference with other metal ions. Moreover, the favourable binding of Cu (II) with HIBMP was noticed by a good linearity between the fluorescence intensity and concentration of Cu (II) with a range of 0–15.6 × 10−7 M, and the limit of detection was determined to be as low as 30.1 nM. Furthermore a 1:1 stoichiometry was identified from the results of Job's plot and HR‐MS. Density functional theory (DFT) calculation results expressed that the intramolecular charge transfer (ICT) during chelation is responsible for quenching of fluorescence. Besides, the fluorescence life time measurement and ethylenediaminetetraacetic acid (EDTA) titration method revealed the stability and reversibility of the sensor. Practical use of the sensor was achieved through the quantitative analysis of spiked Cu (II) ion in real water samples with good recoveries, and biological experiments exposed that the sensor was less toxic and could be applied in fluorescence imaging of Cu (II) in living cells.
Screening Asian Medicinal Plants for SARS‐CoV‐2 Inhibitors: A Computational Approach
Authors: Khalid Hira , Ahmad Iqra , Sarfraz Asifa , Iqbal Anwar , Nishan Umar , Dib Hanna , Ullah Riaz , Sheheryar Sheheryar , Shah Mohibullah 
Published: December 2024

ABSTRACTThis work aimed to evaluate the antiviral potential of compounds from Asian medicinal plants against SARS‐CoV‐2's main protease and spike glycoprotein, identifying dual inhibitors from these plants that target both proteins through advanced virtual screening, molecular dynamics simulations, and pharmacophore analysis. An in‐house library of 335 antiviral natural products was prepared from the selected medicinal plants. Following the virtual screening of this library against the main protease and spike glycoprotein, top compounds were subjected to downstream analysis for evaluating druggability potential and toxicity analysis. Molecular dynamic simulations were performed to confirm the stability of interactions between the ligands and target proteins. Our analysis demonstrated 67 compounds as dual inhibitors. The six top dual inhibitors, namely trans‐delta‐viniferin, trans‐E‐viniferin, 3,4‐DHPEA‐EDA, oleuropein aglycone, lactucopicrin, and 11β,13‐dihydrolactucopicrin, exhibited superior docking scores and met drug‐likeness criteria, including Lipinski's rule, bioavailability, and favorable ADME and toxicity profiles. Trans‐delta‐viniferin and trans‐E‐viniferin, featuring a stilbene scaffold, emerged as the most promising candidates due to their stable interactions, minimal fluctuations, and consistent hydrogen bonding across SARS‐CoV‐2's Mpro and S‐protein in MD simulations, while 3,4‐DHPEA‐EDA displayed comparatively less stability. All compounds demonstrated key pharmacophoric features and lacked mutagenicity or PAINS alerts, although lactucopicrin and 11β,13‐dihydrolactucopicrin showed risks for hepatotoxicity. Overall, the critical bonding and drug‐like features, biological activity spectra, and favorable medicinal characteristics predict their biological behavior in laboratory testing. Although additional experimental validations are necessary, our findings indicate that the three lead compounds—namely, trans‐delta‐viniferin, trans‐E‐viniferin, and 3,4‐DHPEA‐EDA, isolated from traditional medicinal plants—are promising novel dual inhibitors of two critical SARS‐CoV‐2 proteins.
An Oxazole Alkaloid, Terpenoids, and Cyclodipeptides With Cytotoxic and Nitric Oxide Inhibitory Effects From a Mangrove‐Derived Fungus Trichoderma sp. GXT‐22.1
Authors: Anh Dang Viet , Anh Do Hoang , Vien Le Thi , Huong Pham Thi Mai , Cuong Nguyen Xuan , Ngan Nguyen Thi Thanh , Tung Nguyen Ngoc , Quang Tran Hong 
Published: December 2024

ABSTRACTChemical investigation of the mangrove‐derived fungus Trichoderma sp. GXT‐22.1 led to the isolation and identification of 10 secondary metabolites, including one new compound, 5′‐(4‐methoxyphenyl)‐1′,3′‐oxazole (1), one new natural compound, (E)‐6,10‐dimethyl‐5‐undecene‐2,9,10‐triol (2), along with eight known compounds, tricholumin A (3), harzianol J (4), cyclonerodiol (5), 10,11‐dihydro‐11‐hydroxycyclonerodiol (6), cyclonerodiol B (7), epicyclonerodiol oxide (8), cyclo(Val‐Pro) (9), and cyclo‐(4‐hydroxyprolinyl‐leucine) (10). The structural feature of oxazole in 1 was unusually found among the fungal metabolites. Compounds 1 and 4 exhibited weak cytotoxicity toward HepG2 and MCF‐7 human carcinoma cell lines at the concentration of 100 µM, with induction of 41.5 ± 3.0% and 39.3 ± 2.3% cell death, respectively. Compounds 1−5, 8, and 10 showed their inhibitory effect against nitric oxide (NO) overproduction in lipopolysaccharide‐stimulated RAW264.7 cells, with half inhibition concentration values ranging from 37.5 ± 2.6 to 86.5 ± 5.1 µM. Molecular docking simulation suggested that 1 inhibits NO overproduction via modulating the action of the inducible NO synthase protein.
Intranasal Dexmedetomidine Administration Precipitates Respiratory Failure in Child With Croup and Asthma
Authors: Novotny William E. , Fox Pam , Haislip Dynita 
Published: December 2024

ABSTRACTIntranasal dexmedetomidine administration in clinically recommended doses has a small but important risk of causing catastrophic respiratory failure in the setting of preexisting severe respiratory workloads.
Enhanced Photocatalytic H2 Evolution with Accelerating Surface Reaction via Ru‐Doped NiFe Hydroxide as Cocatalyst
Authors: Shao Mengmeng , Fu Shushu , Hao Shiji , Chen Min , Jin Jutao , Wang Wenlong , Qiao Xiaochang , Zhang Dexing , Shao Yangfan , Pan Hui , Wang Xiaoji 
Published: December 2024

AbstractPhotocatalytic hydrogen evolution via water splitting is considered as one of the most promising sustainable energy supply strategies. The cocatalyst loading method is widely applied to overcome the inefficient charge separation and sluggish surface hydrogen evolution reaction (HER) of photocatalysts. Herein, we prepared the Ru‐doped NiFe layered double hydroxide (NiFe‐LDH) as a cocatalyst for g‐C3N4. We found that the photocatalytic HER activity of g‐C3N4 is obviously enhanced by the loading of Ru‐doped NiFe‐LDH, the H2 evolution rate reaches 32 µmol/h about 5 times higher than original NiFe‐LDH loaded one. Our experimental and theoretical studies reveal that the synergistic effect of NiFe‐LDH matrix and Ru dopant is the key reason for the improved photocatalytic activity, where the NiFe‐LDH matrix promotes charge separation and transfer, the Ru dopant synergistically lowers the energy barrier for surface H2 evolution reaction, then achieving excellent photocatalytic H2 evolution activity.
Third‐Generation CD73 Inhibitors Based on a 4,6‐Disubstituted‐2‐Thiopyridine Scaffold
Authors: Grosjean Félix , Shaldaeva Maria , Cros‐Perrial Emeline , Rodriguez Céline , Ghoteimi Rayane , Lebrun Aurélien , Gao Zhan‐Guo , Uttaro Jean‐Pierre , Mathé Christophe , Jacobson Kenneth A. , Petter Jordheim Lars , Ménétrier‐Caux Christine , Chaloin Laurent , Peyrottes Suzanne 
Published: December 2024

AbstractVarious series of 4,6‐disubstituted‐2‐thiopyridine derivatives were synthesized and evaluated as potential ecto‐5’‐nucleotidase (CD73) inhibitors. Altogether, about ninety compounds were prepared using a general synthetic pathway involving one or two steps (eventually one‐pot) procedures. Variation of the nature of the substituents in positions 4 and 6 (methyl, trifluoromethyl or phenyl) of the thiopurine ring, as well as on the thiol function, was examined and led to marked differences both in term of reactivity and ability to interfere with the putative target protein. Using a functional assay on immune cells, few compounds belonging to series 4 were shown to be able to antagonize the inhibition of the T‐cell proliferation at both 100 μM and 10 μM (completely for 4 ab and partially for 4 ai), that is as potent as AOPCP which entirely reversed the inhibitory impact of exogenous ATP on T cell proliferation until 62.5 μM. In addition, we have shown that both compounds (4 ab and 4 ai) were also capable of moderately inhibiting the hA2A receptor with Ki in the μmolar range in HEK‐293 cells. Thus, with the aim to reduce the molecular size and the lipophilicity of our initial scaffold, we finally observed by serendipity a modification of the potential target of our compounds.
Pain sensitization in fibromyalgia. Cross‐sectional associations between quantitative sensory testing of pain sensitization and fibromyalgia disease burden
Authors: Pettersen Pernille Steen , Haugmark Trond , Berg Inger Jorid , Hammer Hilde Berner , Neogi Tuhina , Zangi Heidi , Haugen Ida K. , Provan Sella Aarrestad 
Published: December 2024

AbstractBackgroundWhether fibromyalgia burden is related to measures of sensitization, assessed by quantitative sensory testing (QST), is not clear. We examine the associations between sensitization and fibromyalgia disease burden as measured by the polysymptomatic sistress scale (PDS) and the fibromyalgia impact questionnaire (FIQ) (range 0–100).Materials and MethodsParticipants were recruited from referrals to a rheumatology outpatient clinic and the fibromyalgia diagnosis was verified by a rheumatologist. They completed the PDS and FIQ and underwent QST of pressure pain threshold (PPT) at five sites, temporal summation (TS), and conditioned pain modulation (CPM) estimated as post‐stimuli/pre‐stimuli PPT. The associations between QST and disease burden were analysed in linear regression models adjusted for age, sex, and body mass index.ResultsA total of 78 individuals with clinically verified fibromyalgia (90% women, mean age 40.9 years (SD 7.3)) were recruited. Overall mean PPT was associated with the FIQ total score (β‐2.1, 95% CI‐4.3, −0.0) and the function component (β‐2.1, (−4.3, −0.0)). When examining the associations between PPT at individual sites and fibromyalgia disease severity, PPTs at the distal interphalangeal joint and tibialis anterior muscle were associated with both FIQ total score and the FIQ fatigue component. All associations were weak and insignificant after Bonferroni corrections.ConclusionIn this cohort of individuals with fibromyalgia, sensitization was not significantly associated with self‐reported disease burden. Our results point to the multifactorial nature of fibromyalgia disease severity.SignificanceIn patients with fibromyalgia, commonly used measures of sensitization do not explain the symptom burden or the functional impact.
Beyond birth trauma: A scoping review on childbirth‐related post‐traumatic stress disorder and early relational health in the family system
Authors: Ettinger Sharon , Powers Nicholas J. , Geller Pamela A. 
Published: December 2024

AbstractBackgroundTo promote optimal development for families negatively impacted by traumatic birth experiences, research is needed to understand the potentially unique effects of childbirth‐related post‐traumatic stress disorder (CB‐PTSD) symptoms on early relational health (ERH) in the family system.ObjectiveTo examine the nature and extent of current knowledge on the effect of CB‐PTSD on early relational health of the family.Search StrategyWe utilized previously published scoping review framework and followed PRISMA‐ScR reporting guidelines. Databases searched included Google Scholar, PubMed, EMBASE, and CINAHL. Search terms included Boolean strings such as “childbirth‐related PTSD” AND “mother‐infant relationship”, OR “early relational health”.Selection CriteriaEligible articles quantitatively assessed the predictive relationship between CB‐PTSD and an early relational health construct and adequately distinguished PTSD symptoms related to childbirth from symptoms related to other traumatic experiences.Data Collection and AnalysisInitial search yielded N = 695 records. The final study sample included N = 22 records published from 2007 to 2023. Data were charted and synthesized based on methodological characteristics and main findings.Main ResultsCurrent research specifically examining adverse effects of CB‐PTSD symptoms on both the mother‐infant relationship and co‐parent relational health is limited and has produced conflicting results. Variation in study characteristics and methodology are discussed.ConclusionsCB‐PTSD symptoms may have a significant impact on early relational health, although findings are unclear and vary by methodology used. Clinical relevance of findings related to prevention, screening, and treatment are discussed.