bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Aminocoumarin Derivatives against Phytopathogenic Fungi: Design, Synthesis and Structure‐Activity Relationships
Authors: Sun Pengzhi , Pu Jiangping , Lei Dongyu , Li Jiashan , Ren Xingyu , Jin Lu , Pan Le 
Published: March 2024

AbstractPhytopathogenic fungi is the most devastating reason for the decrease of the agricultural production and food safety. To develop new fungicidal agents for resistance concerning, a novel series of aminocoumarin derivatives were synthesized and their fungicidal activity were investigated both in vitro and in vivo. Transmission electron microscope (TEM), scanning electron microscope (SEM), RNA‐Seq, 3D‐QSAR and molecular docking were applied to reveal the underlying anti‐fungal mechanisms. Most of the compounds exhibited significant fungicidal activity. Notably, compound 10c had a more extensive fungicidal effect than positive control. TEM indicated that compound 10c could cause abnormal morphology of cell walls, vacuoles and release of cellular contents. Transcriptional analysis data indicated that 895 and 653 out of 1548 differential expressed genes (DEGs) were up‐regulated and down‐regulated respectively. The Go and KEGG enrichment indicated that the coumarin derivatives could induce significant changes of succinate dehydrogenase (SDH), Acetyl‐coenzyme A synthetase (ACCA) and pyruvate dehydrogenase (PDH) genes, which contributed to the disorders of glucolipid metabolism and the dysfunction of mitochondrial. The results demonstrated that aminocoumarins with schiff‐base as core moieties could be the promising lead compounds for the discovery of novel fungicides.
Two New Benzoquinone Derivatives from Vietnamese Knema globularia Stems
Authors: Truong Nguyen Huy , Duong Thuc‐Huy , Dang Minh‐Khai , Pham Mai‐Dang‐Truong , Pham Nguyen‐Kim‐Tuyen , Tri Mai Dinh , Son Dang Van , Nguyen Ngoc‐Hong , Sichaem Jirapast 
Published: March 2024

AbstractThe chemical investigation of the stems of Knema globularia led to the isolation of two new benzoquinones derivatives, embenones A and B (1 and 2), along with three known compounds (3–5). The structures of the isolated compounds were determined using spectroscopic techniques, including HRESIMS, 1D and 2D NMR, in conjunction with comparison to existing literature data. Compounds 1 and 2 represent new carbon skeletons in nature. Furthermore, all isolated compounds were evaluated for their α‐glucosidase inhibitory activity, with compounds 1–3 exhibiting superior potency relative to the positive control (acarbose, IC50 331 μM). Their IC50 values ranged from 1.40 to 96.1 μM.
Palladium(II) NCS‐Pincer Complexes Mediated Regioselective Cross Dehydrogenative Alkenation of 2‐Arylthiophenes
Authors: Singh Sohan , Mahala Suman , Bhuvanesh Nattamai , Joshi Hemant 
Published: March 2024

AbstractIn this report, we have synthesized two new NCS pincer ligands by the Schiff base reaction of 3‐((phenylthio)methoxy)benzaldehyde (P) with alkyl amines (tbutylamine (L1) and 1‐adamantylamine (L2)). The palladium pincer complexes (tbutylamine=C1 and 1‐adamantylamine=C2) of these ligands were synthesized by their reaction with PdCl2(CH3CN)2 precursor. The newly synthesized ligands and complexes were characterized using various analytical and spectroscopic techniques such as 1H, 13C{1H} Nuclear Magnetic Resonance (NMR), Ultraviolet–visible (UV‐Visible), Fourier Transform Infrared (FTIR) Spectroscopy, and High‐Resolution Mass Spectrometry (HRMS). The structure of the ligand and its coordination mode with palladium precursor were studied with the help of single‐crystal X‐ray diffraction. The complexes showed distorted square planar geometry around the palladium center. The palladium pincer complexes were used as catalysts for the regioselective cross‐dehydrogenative alkenation of 2‐arylthiophene derivatives. The complex C2, where sterically bulky adamantyl ligand is part of the side arm showed a higher yield of alkenation reaction. Only 2.5 mol% catalyst loading was sufficient to achieve 74–95 % yields of desired products with excellent functional group tolerance under mild reaction conditions. The poisoning experiments (PPh3 and Hg) showed the homogeneous nature of the catalytic process. The plausible mechanism of the reaction was proposed based on the control experiments and time‐dependent HRMS studies.
Impact of Heat Treatment on the Oxygen Reduction Reaction Performance of PtCo/C(N) Electrocatalyst in PEM Fuel Cell
Authors: Cao Yaqi , Liu Tingting , Yang Zuobo , Zhao Hong , Zhang Jie 
Published: March 2024

AbstractThe synthesis of efficient and stable Pt alloy catalysts is a major challenge for the commercialization of PEMFC. Herein, we report a PtCo/C(N) electrocatalyst prepared by Na2CO3‐assisted urea liquid‐phase deposition strategy as an efficient cathodic oxygen reduction reaction electrocatalyst, and test its activity and stability in a rotating disc electrode and a single‐cell. The membrane electrode prepared with PtCo/C(N)‐800 °C catalyst has an output voltage of 0.652 V at 2 A/cm2 and a maximum power density of 1.501 W/cm2, which are 36 mV and 81 W/cm2 higher than those of commercial Pt/C catalyst, respectively. In addition, the mass activity and half‐wave potential of PtCo/C(N)‐800 °C are 2.44 times and 50 mV higher than those of commercial Pt/C, respectively. After 5000 voltammetric cycles, its mass activity and half‐wave potential only lose 35 A/gPt and 9 mV, respectively. XPS results show that the binding energy of Pt 4f is positively shifted relative to Pt/C‐TKK, and the d‐band center of Pt decreases, leading to weak chemical interaction between the oxygen‐containing intermediate and the surface of the electrocatalyst, which is conducive to the improvement of the ORR activity and stability of the catalyst.
Driving Triplet State Population in Benzothioxanthene Imide Dyes: Let's twist!
Authors: Puchán Sánchez Darío , Josse Pierre , Plassais Nathan , Park Geonwoo , Khan Yeasin , Park Yejoo , Seinfeld Mathilde , Guyard Antoine , Allain Magali , Gohier Frédéric , Khrouz Lhoussain , Lungerich Dominik , Ahn Hyun S. , Walker Bright , Monnereau Cyrille , Cabanetos Clément , Le Bahers Tangui 
Published: March 2024

AbstractControlling the formation of photoexcited triplet states is critical for many (photo)chemical and physical applications. Here, we demonstrate that a permanent out‐of‐plane distortion of the benzothioxanthene imide (BTI) dye promotes intersystem crossing by increasing spin‐orbit coupling. This manipulation was achieved through a subtle chemical modification, specifically the bay‐area methylation. Consequently, this simple yet efficient approach expands the catalog of known molecular engineering strategies for synthesizing heavy atom‐free, dual redox‐active, yet still emissive and synthetically accessible photosensitizers.
Masters of Mediation: MN(SiMe3)2 in Functionalization of C(sp3)−H Latent Nucleophiles
Authors: Sreedharan Ramdas , Gandhi Thirumanavelan 
Published: March 2024

AbstractOrganoalkali compounds have undergone a far‐reaching transformation being a coupling partner to a mediator in unusual organic conversions which finds its spot in the field of sustainable synthesis. Transition‐metal catalysis has always been the priority in C(sp3)−H bond functionalization, however alternatively, in recent times this has been seriously challenged by earth‐abundant alkali metals and their complexes arriving at new sustainable organometallic reagents. In this line, the importance of MN(SiMe3)2 (M=Li, Na, K & Cs) reagent revived in C(sp3)−H bond functionalization over recent years in organic synthesis is showcased in this minireview. MN(SiMe3)2 reagent with higher reactivity, enhanced stability, and bespoke cation‐π interaction have shown eye‐opening mediated processes such as C(sp3)−C(sp3) cross‐coupling, radical‐radical cross‐coupling, aminobenzylation, annulation, aroylation, and other transformations to utilize readily available petrochemical feedstocks. This article also emphasizes the unusual reactivity of MN(SiMe3)2 reagent in unreactive and robust C−X (X=O, N, F, C) bond cleavage reactions that occurred alongside the C(sp3)−H bond functionalization. Overall, this review encourages the community to exploit the untapped potential of MN(SiMe3)2 reagent and also inspires them to take up this subject to even greater heights.
Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O: A Strontium Borate That Shows Deep‐Ultraviolet‐Transparent Nonlinear Optical Properties
Authors: Chen Wei‐Feng , Lu Jing‐Yi , Li Jing‐Jing , Lan You‐Zhao , Cheng Jian‐Wen , Yang Guo‐Yu 
Published: March 2024

AbstractA new noncentrosymmetric strontium borate, P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O (1), has been synthesized under the hydrothermal condition. The P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O shows a layered B−O network with 9‐ring windows in the ab plane. Sr2+ cations, H3BO3, and H2O molecules are located in the voids of layers and interlayers, respectively. The P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O is the first synthetic phase of veatchite, while the other three polymorphs are found in different natural minerals. This strontium borate is a potential deep‐ultraviolet‐transparent nonlinear‐optical (NLO) crystal whose second‐harmonic‐generation (SHG) intensity is 1.7 times that of KH2PO4 (KDP) and is phase‐matchable. The short wavelength cutoff edge of compound 1 is below 190 nm. Density functional theory (DFT) calculations show that the B−O units are responsible for the nonlinear optical property.
A survey study on antibiotic prescription practices for acute asthma exacerbations: An European academy of allergy and clinical immunology task force report
Authors: Redel Anne‐Lotte , Feleszko Wojciech , Arcolaci Alessandra , Cefaloni Francesca , Atanaskovic‐Markovic Marina , Braunstahl Gert‐Jan , Boccabella Cristina , Bonini Matteo , Karavelia Aspasia , Louwers Eefje , Mülleneisen Norbert , O'Mahony Liam , Pini Laura , Rapiejko Anna , Shehu Esmeralda , Sokolowska Milena , Untersmayr Eva , Tramper‐Stranders Gerdien ,   EAACI Task Force on Conscious and Rational use of Antibiotics in Allergic Diseases
Published: March 2024

AbstractIntroductionGuidelines recommend treating asthma exacerbations (AAEs) with bronchodilators combined with inhaled and/or systemic corticosteroids. Indications for antibiotic prescriptions for AAEs are usually not incorporated although the literature shows antibiotics are frequently prescribed.AimTo investigate the antibiotic prescription rates in AAEs and explore the possible determining factors of those practices.MethodsA digital survey was created to determine the antibiotic prescription rates in AAEs and the influencing factors for the prescription practices. The survey was distributed among European academy of allergy and clinical immunology (EAACI) members by mass emailing and through regional/national societies in the Netherlands, Italy, Greece, and Poland. Furthermore, we retrieved local antibiotic prescription rates.ResultsIn total, 252 participants completed the survey. Respondents stated that there is a lack of guidelines to prescribe antibiotics in AAEs. The median antibiotic prescription rate in this study was 19% [IQR: 0%–40%] and was significantly different between 4 professions: paediatrics 0% [IQR: 0%–37%], pulmonologists 25% [IQR: 10%–50%], general practitioners 25% [IQR: 0%–50%], and allergologists 17% [IQR: 0%–33%]) (p = 0.046). Additional diagnostic tests were performed in 71.4% of patients before prescription and the most common antibiotic classes prescribed were macrolides (46.0%) and penicillin (42.9%). Important clinical factors for health care providers to prescribe antibiotics were colorised/purulent sputum, abnormal lung sounds during auscultation, fever, and presence of comorbidities.ConclusionIn 19% of patients with AAEs, antibiotics were prescribed in various classes with a broad range among different subspecialities. This study stresses the urgency to compose evidence‐based guidelines to aim for more rational antibiotic prescriptions for AAE.
Visible Light Mediated Synthesis of 3‐Indolmethyl Chromones via the Cyclization of o‐Hydroxyaryl Enaminones with 3‐Indoleacetic Acids Catalyzed by Graphitic Carbon Nitride Adorned with Copper Nanoparticles
Authors: Talpada Nandish , Sharma Anuj S. , Sharma Vinay S. , Ahmed Rahul , Mali Hitendra , Shrivastav Pranav S. , Ammathnadu Sudhakar Achalkumar , Varma Rajender S. 
Published: March 2024

AbstractCopper nanoparticles (Cu2O NPs) supported on graphitic carbon nitride (g‐C3N4) have been introduced as an effective heterogenous catalyst for the synthesis of 3‐indolmethyl chromones (3 a–q) under visible light conditions via the cyclization of o‐hydroxyaryl enaminones with 3‐indoleacetic acids. The catalyst was thoroughly characterized using various techniques such as FT‐IR, PXRD, XPS, FE‐SEM, EDX, TEM, and HR‐TEM analysis. The optimized reaction conditions enabled the high yield production of a wide range of 3‐indolmethyl chromones in a short timespan at room temperature under visible light and method was successfully applied to the gram‐scale synthesis. Importantly, the catalyst could be reused for up to five cycles without significant decrease in its activity. This approach aligns with eco‐friendly principles, demonstrating favorable green chemistry metrics for compound 3 a, including process mass intensity (7.83), environmental impact factor (6.83), atom economy (67.56 %), reaction mass efficiency (60.76 %), chemical yield (92.37 %), mass intensity (1.64), mass productivity (60.97 %), carbon efficiency (69.15 %) and optimum efficiency (89.93 %).
Mesoporous SBA‐15 Supported CdS through Organosilane Ligand for Photo Driven Cleavage of Aryl Ether in Lignin and its Model Compound
Authors: Yesepu Enika , Pavan Yerraboina , Sheerazi Zeenat , Pendem Chandrashekar , Subrahmanya Sarma A. V. , Sandeep Kumar T. , Ahmed Maqsood 
Published: March 2024

AbstractMesoporous silica (SBA‐15) was synthesized hydrothermally followed by calcination and then functionalization with 3‐(triethoxysilyl)‐1‐propanethiol through surface grafting. The thiol moiety of the grafted ligand was utilized for the uniform anchoring of cadmium into the channels of the material. The synthesised material was subjected for its photo catalytic applications after characterization through standard characterization protocol. The synthesised mesoporous silica (i.e. SAB‐15), ligand modified material (i.e.SBA‐15‐S and Cd loaded ( i.e. SAB‐15‐CdS) materials were characterized through standard characterization protocol like powder XRD, FT‐IR, UV‐DRS, MAS NMR, N2 sorption, FE‐SEM, HR‐TEM and TG‐DTA studies. After successful characterization, the screening of the catalyst was carried out on a model reaction involving photo catalytic cleavage of α‐O‐4 aryl ether linkage present in benzyl phenyl ether, which is an important lignin model compound. The catalyst exhibited good efficiency along with the selectivity for desired monoaromatic platform chemicals. The synthesized catalyst was also carried out for the photo catalytic depolymerization of alkali lignin at the optimized reaction conditions which further showed the promising results for getting value added chemicals from lignin. The reaction products were characterized by using Gas chromatography‐mass spectrometry (GC‐MS) techniques.
Can ESG disclosures promote firms going concern? Evidence from BRICS countries
Authors: Ning Wu , Saeed Ummar Faruk , Twum Angelina Kissiwaa , Osei Abednego 
Published: March 2024

AbstractThis study examines the moderating role of managerial ownership on environmental, social and governance (ESG) disclosures and the going concern of chemical manufacturing firms in Brazil, Russia, India, China, and South Africa (BRICS) countries. We employed a quantitative research methodology, using panel data from 236 listed firms operating in the chemical manufacturing sector between 2007 and 2022. For the analysis, we utilized the Augmented Mean Group and the Common Correlated Effects Mean Group estimators. The results showed that ESG disclosures significantly impact the continued existence of chemical manufacturing companies in BRICS nations. Additionally, high managerial ownership exerts a significant positive influence on the association between ESG disclosures and the going concern of chemical manufacturing firms. The findings affirm the need for businesses to disclose their ESG issues to stakeholders to ensure carbon neutrality goals for BRICS. Hence, it is recommended that policymakers and business owners promote and incentivize managerial ownership, recognizing its pivotal role in enhancing the positive relationship between ESG disclosure and firms' continuity, thereby contributing to the realization of carbon neutrality goals in the BRICS region.
Protein signaling and morphological development of the tail fluke in the embryonic beluga whale (Delphinapterus leucas)
Authors: Gavazzi L. M. , Nair M. , Suydam R. , Usip S. , Thewissen J. G. M. , Cooper L. N. 
Published: March 2024

AbstractBackgroundDuring the land‐to‐sea transition of cetaceans (whales, dolphins, and porpoises), the hindlimbs were lost and replaced by an elaborate tail fluke that evolved 32 Ma. All modern cetaceans utilize flukes for lift‐based propulsion, and nothing is known of this organ's molecular origins during embryonic development. This study utilizes immunohistochemistry to identify the spatiotemporal location of protein signals known to drive appendage outgrowth in other vertebrates (e.g., Sonic Hedgehog [SHH], GREMLIN [GREM], wingless‐type family member 7a [WNT], and fibroblast growth factors [FGFs]) and to test the hypothesis that signals associated with outgrowth and patterning of the tail fluke are similar to a tetrapod limb. Specifically, this study utilizes an embryo of a beluga whale (Delphinapterus leucas) as a case study.ResultsResults showed epidermal signals of WNT and FGFs, and mesenchymal/epidermal signals of SHH and GREM. These patterns are most consistent with vertebrate limb development. Overall, these data are most consistent with the hypothesis that outgrowth of tail flukes in cetaceans employs a signaling pattern that suggests genes essential for limb outgrowth and patterning shape this evolutionarily novel appendage.ConclusionsWhile these data add insights into the molecular signals potentially driving the evolution and development of tail flukes in cetaceans, further exploration of the molecular drivers of fluke development is required.
Standardising bee sampling: A systematic review of pan trapping and associated floral surveys
Authors: Krahner André , Dietzsch Anke C. , Jütte Tobias , Pistorius Jens , Everaars Jeroen 
Published: March 2024

AbstractThe use of coloured pan traps (bee bowls, Moericke traps) for sampling bees (and other pollinators) has continuously increased over the last two decades. Although a number of methodological studies and conceptual frameworks offer guidance on standardised sampling, pan trap setups vary widely in characteristics even when optimised for capturing bees. Moreover, some uncertainty persists as to how local flower abundance and diversity influence sampling. We systematically reviewed peer‐reviewed studies that used pan traps for bee collection and that were listed in the Web of Science core collection. To gauge methodological variation, we identified a set of relevant methodological criteria and assessed the studies accordingly. For obtaining evidence that pan trap samples and floral environment around traps are correlated, we screened the relevant studies for such correlations. While some aspects of pan trapping (e.g., trap coloration and elevation) were similar in the majority of studies, other aspects varied considerably (e.g., trap volume/diameter and sampling duration). Few studies used floral abundance and/or diversity as an explanatory variable in their analyses of bee samples. Among these studies, we found a considerable variation in key aspects of floral survey methods, such as time and space between vegetation surveys and pan trap sampling, abundance measures (quantitative, semi‐quantitative and presence–absence), and processing of raw data prior to analysis. Often studies did not find any correlation between the floral environment and bee samples. Reported correlations varied markedly across studies, even within groups of studies applying a similar method or analysing a similar group of bees. Our synthesis helps to identify key issues of further standardisation of pan trap methodology and of associated floral surveys. In addition to the few aspects that have been standardised over the past decades, we suggest methodological direction for future research using pan traps as a better standardised method for the collection of wild bees. We encourage further studies to illuminate if and how varying floral resources around traps bias bee samples from pan traps. More generally, our synthesis shows that trapping methodologies should be reviewed regularly when their use increases to ensure standardisation.
Assessment of the Relationship Between Liver Enzymes and Cardiovascular Disease: A Study in Bangladeshi Adults
Authors: Hasan Akibul , Newaj Ali , Trisha Aporajita Das , Hafsa Jaasia Momtahena , Mohanto Nayan Chandra , Ali Nurshad 
Published: March 2024

ABSTRACTObjectivesElevated liver enzyme levels are suggested to be associated with an increased risk of cardiovascular disease (CVD). However, few studies have explored the relationship between liver enzymes and myocardial infarction (MI). This study aimed to evaluate the potential association of elevated liver enzymes with MI within a population group in Bangladesh.MethodsIn this cross‐sectional study, 348 participants were enrolled, 189 with MI in the CVD group and 159 in the control group. Serum levels of liver enzymes (AST, ALT and GGT) and other biochemical parameters were measured using standard methods. Multivariate logistic regression models were applied to determine the associations between elevated liver enzymes and CVD.ResultIn the CVD group, 51.6%, 30.9% and 67.7% of individuals had elevated serum AST, ALT and GGT levels, respectively. On the contrary, the control group had 17.0%, 15.1% and 35.2% of individuals with high serum AST, ALT and GGT levels, respectively. Overall, 71.8% of the subjects in the CVD group and 44.7% of the subjects in the control group had at least one or more elevated liver enzymes (p < 0.001). The mean level of all three liver enzymes was significantly higher in the CVD group than in the control group (p < 0.001). In both the CVD and control groups, males had higher levels of liver enzymes than females. In the regression models, the serum levels of AST, ALT and GGT showed a positive and independent association with the prevalence of CVD (p < 0.001). However, GGT showed the strongest association among the three enzymes.ConclusionsThis study shows a high prevalence of liver enzyme abnormalities in individuals with CVD. Serum levels of AST, ALT and GGT were independently associated with the prevalence of CVD. This suggests that measuring liver enzyme levels could be a useful marker in predicting CVD at an early stage.
Tf2O‐Promoted Synthesis of Ureas, Carbamates and Thiocarbamate via Lossen Rearrangement: A Mechanistic Insight
Authors: Chetankumar Eti , Srinivasulu Chinthaginjala , Periyasamy Ganga , Sureshbabu Vommina V. 
Published: March 2024

AbstractHerein, we report triflic anhydride mediated synthesis of ureas starting from hydroxamic acids. The scope of triflic anhydride was also expanded to encompass carbamates. In addition, this reaction is applicable to activation of hydroxamic acid derivative of dipeptide giving α‐uriedopeptidomimetics in good yield. The mechanistic study of reaction was carried out by DFT. This study is important because it demonstrates that Tf2O has the potential to be effective when used on a substrate that possesses amide bond. A broad substrate scope and mild conditions render this protocol a promising approach to the synthesis of diverse types of ureas.