bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper‐Catalyzed Enantioselective Hydrophosphorylation of Unactivated Alkynes
Authors: Kang Jie , Ding Kang , Ren Si‐Mu , Yang Wen‐Jun , Su Bo 
Published: October 2024

AbstractP‐stereogenic phosphorus compounds are essential across various fields, yet their synthesis via enantioselective P−C bond formation remains both challenging and underdeveloped. We report the first copper‐catalyzed enantioselective hydrophosphorylation of alkynes, facilitated by a newly designed chiral 1,2‐diamine ligand. Unlike previous methods that rely on kinetic resolution with less than 50 % conversion, our approach employs a distinct dynamic kinetic asymmetric transformation mechanism, achieving complete conversion of racemic starting materials. This reaction is compatible with a broad range of aromatic and aliphatic terminal alkynes, producing products with high yields (up to 95 %), exclusive cis selectivity, and exceptional regio‐ and enantioselectivity (>20 : 1 r.r. and up to 96 % ee). The resulting products were further transformed into a diverse array of enantioenriched P‐stereogenic scaffolds. Preliminary mechanistic studies were conducted to elucidate the reaction details.
Poly(4‐methoxyaniline) composites: Investigating structure–property relationship towards semiconducting applications
Authors: de Carvalho Menezes Diogo , de Oliveira Santiago Pedro Henrique , Souza Paulo Nunes , Andrade Marcelo Barbosa , Oliveira Cristiano Luis Pinto , Souza Sérgio Michielon , Sanches Edgar Aparecido , Mascarenhas Yvonne Primerano 
Published: October 2024

ABSTRACTConjugated polymers are essential materials for the organic optoelectronic industry, serving a pivotal role in cutting‐edge technologies. In this study, we conducted an integrated characterization approach, including spectroscopic techniques coupled with X‐ray diffraction analysis to explore the structure–property relationship of poly(4‐methoxyaniline), commonly referred to as poly(p‐anisidine) or PPA, along with two distinct ceramic composites: PPA/α‐Al2O3 and PPA/Eu2O3. From powder X‐ray diffraction analysis, a triclinic unit cell in space group P1 is proposed, after the whole powder pattern decomposition (WPPD) refinement is employed for the semicrystalline regions of the polymeric phases. Fractal‐like structures are observed, following analysis of small‐angle X‐ray scattering (SAXS) data and scanning electron microscopy (SEM) from which we could infer the approximate sizes of the fractal clusters. Pure PPA displays a glass transition temperature (Tg) of approximately 80°C and an electrical conductivity slightly above 10−5 S/cm. In contrast, the composite materials do not exhibit a glass transition temperature but perform better in terms of crystallinity and thermal stability. PPA/Eu2O3 present conductivity enhancement exceeding tenfold, surpassing 10−4 S/cm. These findings provide the baseline for further explorations on the development of organic electronic devices and sensors.
Insight into the therapeutic potential of pyrazole‐thiazole hybrids: A comprehensive review
Authors: Sumran Garima , Sharma Manisha , Aggarwal Ranjana 
Published: October 2024

AbstractSeveral pyrazole‐thiazole hybrids featuring two potentially bioactive pharmacophores with or without linker have been synthesized using the molecular hybridization approach as target structures by medicinal chemists to modulate multiple drug targets simultaneously. The presented review aims to provide an overview of the diversified and wide array of pharmacological activities of these hybrids bestowing anticancer, antifungal, antibacterial, analgesic, anti‐inflammatory, antioxidant, antitubercular, antiviral, antiparasitic, and miscellaneous activities. The structure–activity relationships and potential mechanism of action are also reviewed to shed light on the development of more effective and biotargeted candidates. This review focuses on the latest research advances in the biological profile of pyrazole‐thiazole hybrids reported from 2015 to the present, providing medicinal researchers with a comprehensive platform to rationally design and develop more promising pyrazole‐thiazole hybrids.
Exploring the biocatalysis of psilocybin and other tryptamines: Enzymatic pathways, synthetic strategies, and industrial implications
Authors: Junges Lucas Henrique , Müller‐Santos Marcelo 
Published: October 2024

AbstractTryptamines play diverse roles as neurotransmitters and psychoactive compounds found in various organisms. Psilocybin, a notable tryptamine, has garnered attention for its therapeutic potential in treating mental health disorders like depression and anxiety. Despite its promising applications, current extraction methods for psilocybin are labor‐intensive and economically limiting. We suggest biocatalysis as a sustainable alternative, leveraging enzymes to synthesize psilocybin and other tryptamines efficiently. By elucidating psilocybin biosynthesis pathways, researchers aim to advance synthetic methodologies and industrial applications. This review underscores the transformative potential of biocatalysis in enhancing our understanding of tryptamine biosynthesis and facilitating the production of high‐purity psilocybin and other tryptamines for therapeutic and research use.
GC/MS and LC‐ESI‐MS Analysis of Conocarpus erectus Leaves Extract via Regulating Amyloid‐β‐Peptide, Tau Protein, Neurotransmitters, Inflammation and Oxidative Stress against AlCl3‐Induced Alzheimer's Disease in Rats
Authors: Nasr Noha N. , El‐Hagrassi Ali M. , Ahmed Yomna R. , Hamed Manal A. 
Published: October 2024

AbstractThis study investigated the therapeutic effect of Conocarpus erectus leaves methanolic extract against AlCl3 ‐induced Alzheimer's disease (AD) in rats comparing with Donepezil‐hydrochloride as a reference drug. The bioactive compounds of C. erectus leaves were isolated and identified by GC/MS and LC‐ESI‐MS analysis. Malondialdehyde (MDA), reduced glutathione (GSH), superoxide dismutase (SOD), tumor necrosis factor‐alpha (TNF‐α), interleukin‐6 (IL‐6), amyloid‐β‐peptide (Aβ‐peptide), tau protein, acetylcholinesterase (AChE), serotonin (5‐HT), dopamine (DA) and nor‐adrenaline (NE) levels were estimated. The neuromuscular strength, memory behavior and histopathological examination of cerebral cortex region were also conducted. Forty‐three compounds were characterized from the non‐polar fraction of C. erectus L. leaves extract and nineteen compounds were identified from the defatted extract. AlCl3‐ induction caused significant elevation of brain oxidative stress, Aβ‐peptide, tau protein, IL‐6, TNF‐α and AChE levels. A significant decrease in 5‐HT, ND and DA levels were noticed. Additionally, AlCl3 reduced neuromuscular strength and compromised memory function. Treatment of AlCl3‐ induced rats with C. erectuse extract ameliorated these selected parameters by variable degrees. In conclusion, C. erectus protects against AlCl3‐ induced AD in rats through its antioxidant, anti‐inflammatory, and antineural damage. [Correction added on 3 December 2024, after first online publication: The term “antineutron” was corrected to “antineural” in the preceding sentence.]. It could be considered as a new nutraceutical agent for attenuating symptoms associated with Alzheimer's disease.
Precise Modulation of Protein Degradation by Smart PROTACs
Authors: Cheng Junfei , Dong Guoqiang , Wang Wei , Sheng Chunquan 
Published: October 2024

AbstractProteolysis‐targeting chimera (PROTAC) has emerged as an attractive therapeutic modality in drug discovery. PROTACs are bifunctional molecules that effectively bridge proteins of interest (POIs) with E3 ubiquitin ligases, such that, the target proteins are tagged with ubiquitin and subsequently degraded via the proteasome. Despite significant progress in the field of targeted protein degradation (TPD), the application of conventional PROTAC degraders still faces significant challenges, including systemic toxicity induced by non‐tissue‐specific targeting. To address this issue, a variety of smart PROTACs that can be activated by specific stimuli, have been developed for achieving conditional and spatiotemporal modulation of protein levels. Here, on the basis of our contributions, we overview recent advances of smart PROTACs, including tumor microenvironment‐, photo‐, and X‐ray radiation‐responsive PROTACs, that enable controllable TPD. The design strategy, case studies, potential applications and challenges will be focused on.
Controlling Chemoselectivity in Ruthenium(II)‐Induced Cyclization of Aniline‐Functionalized Alkynes
Authors: Io Kai‐Wa , Shek Hau‐Lam , Li Tsun‐Yin , Li Ka‐Kit , Chan Daniel Shiu‐Hin , Yiu Shek‐Man , Wong Chun‐Yuen 
Published: October 2024

AbstractThe cyclization of heteroatom‐functionalized alkynes induced by d6‐transition‐metal centers has traditionally been associated with the vinylidene pathway. However, recent evidence suggests that d6‐transition‐metal centers can also activate alkynes through non‐vinylidene pathways. In this study, we conducted a comprehensive experimental and theoretical investigation into the reactions between the Ru(II) complex [Ru([9]aneS3)(bpy)(OH2)]2+ and 2‐alkynylanilines. Our study revealed that the selectivity between the vinylidene and non‐vinylidene pathways can be tuned by reaction temperature, substrate, and solvent polarity. This strategic control allows for the preferential formation of either C2‐ or C3‐metalated indole zwitterion complexes. Additionally, we identified a rare decyclization mechanism that enables the conversion of C2‐metalated indoles to C3‐metalated indoles, underscoring the significance of product stability in these pathways. Overall, this work demonstrates practical approaches to control the preference between vinylidene and non‐vinylidene pathways, which is crucial for the design of new catalysts and metalated heterocyclic complexes.
A novel controllability method on complex temporal networks based on temporal motifs
Authors: Jin Yan , Arebi Peyman 
Published: October 2024

SummaryComplex temporal networks have become instrumental in modeling dynamic systems across various disciplines, presenting unique challenges and opportunities in understanding and influencing their behavior. Controllability, a fundamental aspect of network dynamics, plays a pivotal role in manipulating these systems towards desired states. Temporal motifs are important patterns in temporal complex networks that have many applications in solving problems related to this type of networks. In this paper, a novel method for controlling temporal complex networks using temporal motifs is proposed. First, the most important effective temporal motifs in the controllability processes of complex networks have been identified and it has been shown that the network can be fully controlled using these temporal motifs. Then, an algorithm for extracting temporal motifs is proposed. This algorithm has been proposed to identify effective temporal motifs in network controllability to optimally identify control nodes. To increase the efficiency of extracting temporal motifs, a method for predicting the temporal motif‐based link has been proposed, which predicts temporal motifs. The results of the simulation of the proposed method based on temporal motifs and its implementation on real‐world temporal complex networks demonstrates that its performance was better than the conventional controllability methods.
L10‐PtCo and L12‐Pt3Co Intermetallics for Oxygen Reduction Reaction: The Influence of Composition and Structure on Properties
Authors: Lu Mingwang , Hu Yuekun , Zhang Guanhua , Zhao Xiaowei , Yang Xiaojing , Yu Xiaofei , Zhang Xinghua , Lu Zunming , Liu Yan , Li Lanlan 
Published: October 2024

AbstractPt‐based intermetallics are regarded as highly efficient electrocatalysts for oxygen reduction reaction (ORR). However, Pt‐based intermetallics with different Pt: M atomic ratios have different atomic arrangements and crystal structures, which will change the electronic structure and coordination environment of Pt, thus affecting the electrocatalytic activity. In this work, we prepared L12‐Pt3Co and L10‐PtCo intermetallic catalysts by modulating the molar ratio of Pt and Co precursors using a thermal annealing method. The mass activity (MA) of L10‐PtCo is 0.52 A mg−1Pt at 0.9 V, which is 1.44 times larger than that of L12‐Pt3Co (0.36 A mg−1Pt). In addition, the MA of L10‐PtCo decreases by 17.31 % after 10,000 CV cycles, which is smaller than that of L12‐Pt3Co (25.00 % loss in MA), showing excellent structural stability. Theoretical calculations reveal that compared to L12‐Pt3Co, L10‐PtCo has more electrons transferred to the Pt sites, which further optimizes the electronic structure of Pt and reduces the d‐band center, leading to the increase of the electrocatalytic performance. This work provides new insights into the study of Pt‐based intermetallics with different Pt: M ratios, which is helpful for the screening and preparation of high‐performance Pt‐based intermetallics.
Conjugation Paths in Oxatriphyrin(2.1.1) – C2 Bridge Modifications
Authors: Dalberto Kevin , Dzieszkowski Krzysztof , Orzeł Łukasz , Chmielewski Piotr J. , Pawlicki Miłosz 
Published: October 2024

AbstractAn efficiency of delocalization in strongly conjugated systems remains an important factor crucial for modulation of the optical properties directly correlated with its range. An ortho‐substituted phenylene derivative bearing electron donating/accepting functionality was built‐in a fully unsaturated macrocyclic system with a global delocalization of a diatropic and/or a paratropic current. A precisely located structural modification influence observed behaviour in spectroscopic parameters that are only slightly recognizable in 4n+2 systems but showing a significant influence on the reduced derivatives with a contribution of 4n π‐electrons delocalization path.
High‐performance vanadium oxide‐based aqueous zinc batteries: Organic molecule modification, challenges, and future prospects
Authors: Wang Yueyang , Li Qi , Xiong Jiawei , Yu Linfeng , Li Qi , Lv Yanan , Abdalla Kovan Khasraw , Wang Runze , Li Xinyu , Zhao Yi , Sun Xiaoming 
Published: October 2024

AbstractAqueous Zn‐vanadium batteries have been attracting significant interest due to the high theoretical capacity, diverse crystalline structures, and cost‐effectiveness of vanadium oxide cathodes. Despite these advantages, challenges such as low redox potential, sluggish reaction kinetics, and vanadium dissolution lead to inferior energy density and unsatisfactory lifespan of vanadium oxide cathodes. Addressing these issues, given the abundant redox groups and flexible structures in organic compounds, this study comprehensively reviews the latest developments of organic‐modified vanadium‐based oxide strategies, especially organic interfacial modification, and pre‐intercalation. The review presents detailed analyses of the energy storage mechanism and multiple electron transfer reactions that contribute to enhanced battery performance, including boosted redox kinetics, higher energy density, and broadened lifespan. Furthermore, the review emphasizes the necessity of in situ characterization and theoretical calculation techniques for the further investigation of appropriate organic “guest” materials and matched redox couples in the organic‐vanadium oxide hybrids with muti‐energy storage mechanisms. The review also highlights strategies for Zn anode protection and electrolyte solvation regulation, which are critical for developing advanced Zn‐vanadium battery systems suitable for large‐scale energy storage applications.
Unpacking the care‐related quality of life effect of England's publicly funded adult social care. A panel data analysis
Authors: Salas‐Ortiz Andrea , Longo Francesco , Claxton Karl , Lomas James 
Published: October 2024

AbstractAdult Social Care (ASC) is the publicly‐funded long‐term care program in England that provides support with activities of daily living to people experiencing mental and/or physical challenges. Existing evidence suggests that ASC expenditure improves service users' care‐related quality of life (CRQoL). However, less is known about the channels through which this effect exists and the effect on outcomes other than CRQoL. We fill this gap by analyzing survey data on ASC service users who received long‐term support from 2014/15 to 2019/20 using panel data instrumental variable methods. We find that the beneficial impact of ASC expenditure on the CRQoL of both new and existing users is mostly driven by users aged 18–64 without any learning disability and users with no learning disability aged 65 or older receiving community‐based ASC. Moreover, control over daily life, occupation, and social participation are the CRQoL domains that are improved the most. We also find that ASC expenditure has a beneficial effect on several other outcomes beyond CRQoL for both new and existing users including user satisfaction and experience, the ability to carry out activities of daily living independently, whether their home is designed around needs, accessibility to local places, general health, and mental health through reduced anxiety and depression. Greater ASC expenditure, however, does not address the need for other forms of support such as unpaid informal and privately‐funded care.
Measuring adolescent girls' agency
Authors: Ogunbiyi Bolatito O. , Bingenheimer Jeffrey B. , Baird Sarah , Vyas Amita 
Published: October 2024

AbstractIntroductionThe last decade has experienced a surge of interventions focused on improving adolescent girls' agency. Yet measuring adolescent girls' agency continues to be a challenge, limiting the ability to track impact. This study addresses this evidence gap by constructing and validating a multidimensional measure of agency among adolescent girls in Ethiopia.MethodsThis study utilized cross‐sectional data from 3033 in school adolescent girls aged 10–12 years and 15–17 years and their adult female caregivers collected as part of the Gender and Adolescent: Global Evidence study in 2017–2018 in Ethiopia. This study constructed a measure of agency among the sample and evaluated both known group and convergent validity of the scale. Twenty‐two indicators across three domains (decision‐making, voice, and mobility) were used to characterize adolescent girls' agency. The data was randomly divided into two halves for exploratory and confirmatory factor analyses separately.ResultsWhile six factors of agency emerged from the initial exploratory analysis, two factors (decision‐making and mobility factors) defined adolescent girls' agency from the confirmatory factor analysis. Known‐groups validity of the agency scale was confirmed—the scores on the two domains (decision‐making and mobility) and the overall agency scale was higher for older girls compared to younger girls and for girls in urban households compared to those in rural households. Convergent validity of the scale was not confirmed.ConclusionsThis study advances adolescent girls' agency measurement by providing a validated multidimensional measure that can be used to support future policy and research.
Emotion regulation motives in adolescence shape regulatory strategy use
Authors: Shao Shiyu , Nie Qian , Teng Zhaojun , Blain Scott D. , Wang Xiaoqin 
Published: October 2024

AbstractIntroductionEmotion regulation (ER) motives (i.e., the reasons individuals regulate their emotions) are key factors influencing the development of adolescents’ ER abilities. However, age‐ and gender‐related trends in adolescents’ ER motives, as well as their impact on the use of ER strategies, remain unclear.MethodsWe recruited 5629 participants from two schools in Southwest China (M = 15.18, SD = 1.73; 45.11% male) to complete the Emotion Regulation Goals Scale and the Emotion Regulation Questionnaire. Linear and polynomial regression analyses were conducted to examine age‐ and gender‐related differences in ER motive patterns. We then tested whether different patterns of ER motives were also associated with participants’ habitual use of two common ER strategies.ResultsThis study revealed nonlinear and diverse age‐related differences in adolescents’ contra‐hedonic and pro‐social motives, with notable fluctuations in contra‐hedonic motives. Boys exhibited higher levels of contra‐hedonic motives, while girls showed higher levels of performance motives. Moreover, ER motives were significantly and broadly associated with individuals’ habitual use of reappraisal and suppression. More specifically, pro‐hedonic motives were associated with greater use of reappraisal, while contra‐hedonic motives were linked to higher levels of suppression. Furthermore, instrumental motives (i.e., performance, pro‐social, and impression management) were positively related to both reappraisal and suppression.ConclusionsThese findings enhance our understanding of how adolescents’ ER motives vary by age and gender, as well as the crucial role different ER motives play in shaping patterns of ER strategy use.
Gamma‐Decanolactone Increases Stress Resistance and Improves Toxicity Parameters on the Caenorhabditis elegans Alternative Model
Authors: Campos Glaucia Maria , Santos Péterson Alves , Uczay Mariana , Pflüger Pricila , Mendes Thaís Lemos , Fontenla Jose Angel , Pereira Patrícia 
Published: October 2024

ABSTRACTGamma‐decanolactone (GD) is a monoterpene compound with anticonvulsant, antiparkinsonian, and neuroprotective effects in preclinical trials. This study aimed to evaluate the toxicity and antioxidant profile of GD in silico and in the Caenorhabditis elegans (C. elegans) experimental model. The C. elegans was used to determine the median lethal concentration (LC50) of GD, as well as its effect on survival, development, reproduction, pharyngeal pumping, and stress resistance assays. The in silico study did not indicate hepatotoxic, cardiotoxic, or mutagenic potential to GD. It reduced the worms' survival, both at the L1 and L4 stages, in a concentration‐dependent manner with an LC50 value of 212.16 ± 5.56 μmol/mL. GD did not alter the development, reproduction, and pharyngeal pumping under normal experimental conditions in the three concentrations tested (25, 50, and 100 μmol/mL). In the thermal stress assay, GD did not change the survival pattern of the worms. Hydrogen peroxide (H2O2) reduced the survival of C. elegans and decreased the number of pharyngeal pumping, with these effects being reversed by GD. Also, GD presents an antioxidant activity by modulation the expression of the stress response genes such as sod‐3, ctl‐1,2,3, and gst‐4. In conclusion, GD showed low toxicity in the C. elegans model and antioxidant profile both in the in silico study and in vivo assays.
Caenorhabditis elegans CYP33 Family in Eicosanoid Regulation, Xenobiotic Metabolism, Nanotoxicity and Spermatogenesis
Authors: Lim Sharoen Yu Ming , Lim Willone , Peter Angela Paul , Pan Yan , Alshagga Mustafa , Alshawsh Mohammed Abdullah 
Published: October 2024

AbstractThe CYP33 family in Caenorhabditis elegans is integral to processes like xenobiotic detoxification, eicosanoid regulation, nanotoxicity response and spermatogenesis. Limited research on C. elegans CYP33 suggests its functions are similar to human CYP33, indicating conserved roles in metabolism and disease. This review examines C. elegans CYP33 enzymes, especially CYP‐33E1 and CYP‐33E2, and their human homologues, focusing on their roles in eicosanoid biosynthesis, xenobiotic metabolism, nanotoxicity and spermatogenesis. Understanding these enzymes enhances insights into cytochrome P450 biology, metabolism and cyp‐associated diseases.