bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of partial replacement of antimony trioxide with zinc borate and stannic oxide on the flame retardancy of flexible PVC films
Authors: Zhang Yongsen , Qian Lijun , Qu Lijie , Wang Jingyu , Qiu Yong , Xi Wang , Ma Yao 
Published: July 2024

AbstractReplacing antimony trioxide (Sb2O3) with an environmentally friendly alternative is of great scientific and commercial value for studying the flame retardant properties of flexible PVC (fPVC) films in automotive interior materials. This study develops flame retardant fPVC films with reduced Sb2O3content by introducing stannic oxide (SnO2) and zinc borate (ZB). The results indicate that the fPVC film with ZB partially replacing Sb2O3exhibits superior flame retardancy and smoke suppression compared to the product containing SnO2. The peak heat release rate (PHRR), total heat release (THR), and total smoke release (TSR) of 2ZB/2Sb2O3fPVC film are reduced by 32.1%, 27.5%, and 22.1%, respectively, compared to that of 4Sb2O3contained fPVC film. The increase in flame retardancy is attributed to the presence of ZB, which compensates for the deficiency of char formation ability of Sb2O3in the condensed phase. The PHRR and THR of 2SnO2/2Sb2O3fPVC film decrease by 27% and 12.5%, respectively, compared to that of 4Sb2O3fPVC film, while the TSR increases by 16.5%. This study develops a straightforward approach to creating a flame retardant fPVC film that is suitable for the latest industrial application in automotive interior materials.
Anatomy of the maxillary canal of Riograndia guaibensis (Cynodontia, Probainognathia)—A prozostrodont from the Late Triassic of southern Brazil
Authors: Fonseca Pedro Henrique Morais , Martinelli Agustín Guillermo , Gill Pamela G. , Rayfield Emily J. , Schultz Cesar Leandro , Kerber Leonardo , Ribeiro Ana Maria , Soares Marina Bento 
Published: July 2024

AbstractInvestigating the evolutionary trajectory of synapsid sensory and cephalic systems is pivotal for understanding the emergence and diversification of mammals. Recent studies using CT‐scanning to analyze the rostral foramina and maxillary canals morphology in fossilized specimens of probainognathian cynodonts have contributed to clarifying the homology and paleobiological interpretations of these structures. In the present work, μCT‐scannings of three specimens of Riograndia guaibensis, an early Norian cynodont from southern Brazil, were analyzed and revealed an incomplete separation between the lacrimal and maxillary canals, with points of contact via non‐ossified areas. While the maxillary canal exhibits a consistent morphological pattern with other Prozostrodontia, featuring three main branches along the lateral region of the snout, the rostral alveolar canal in Riograndia displays variability in the number of extra branches terminating in foramina on the lateral surface of the maxilla, showing differences among individuals and within the same skull. Additionally, pneumatization is observed in the anterior region of the skull, resembling similar structures found in reptiles and mammals. Through this pneumatization, certain branches originating from the maxillary canal extend to the canine alveolus. Further investigation is warranted to elucidate the functionality of this structure and its occurrence in other cynodont groups.
Benzimidazole‐oxindole hybrids: A novel class of selective dual CDK2 and GSK‐3β inhibitors of potent anticancer activity
Authors: Abdel‐Mohsen Heba T. , Syam Yasmin M. , Abd El‐Ghany Mahmoud S. , Abd El‐Karim Somaia S. 
Published: July 2024

AbstractA new series of benzimidazole‐oxindole hybrids 8a–x was discovered as dual cyclin‐dependent kinase (CDK2) and glycogen synthase kinase‐3‐beta (GSK‐3β) inhibitors with potent anticancer activity. The synthesized hits displayed potent anticancer activity against national cancer institute cancer cell lines in single‐dose and five‐dose assays. Moreover, the derivatives 8k, 8l, 8n, 8o, and 8p demonstrated potent cytotoxic activity against PANC‐1 cells with IC50 = 1.88–2.79 µM. In addition, the hybrids 8l, 8n, 8o, and 8p displayed potent antiproliferative activity on the MG‐63 cell line (IC50 = 0.99–1.90 µM). Concurrently, the benzimidazole‐oxindole hybrid 8v exhibited potent dual CDK2/GSK‐3β inhibitory activity with IC50 values of 0.04 and 0.021 µM, respectively. In addition, 8v displayed more than 10‐fold higher selectivity toward CDK2 and GSK‐3 β over CDK1, CDK5, GSK‐3α, vascular endothelial growth factor receptor‐2, and B‐rapidly accelerated fibrosarcoma. Screening of the effect of 8n and 8v on the cell cycle and apoptosis of PANC‐1 and MG‐63 cells displayed their ability to arrest their cell cycle at the G2‐M phase and to potentiate the apoptosis of both cell lines. In silico docking of the benzimidazole‐oxindole hybrid 8v into the catalytic pocket of both CDK2 and GSK‐3β revealed its perfect fitting through the formation of hydrogen bonding and hydrophobic interactions with the key amino acids in the binding sites. In addition, in silico absorption, distribution, metabolism, excretion studies proved that 8a–x exhibit satisfactory drug‐likeness properties for drug development.
Reactivity of a Morita–Baylis–Hillman Adduct Derivative Bearing a Triphenylamine Moiety with Lysine Models
Authors: Venditti Jacopo , Saletti Mario , Paolino Marco , Contena Stefano , Bonechi Claudia , Giuliani Germano , Giorgi Gianluca , Boccia Antonella Caterina , Botta Chiara , Blancafort Lluís , Cappelli Andrea 
Published: July 2024

AbstractThe reactivity of Morita–Baylis–Hillman Adduct (MBHA) derivative 7 was studied with different primary amine derivatives such as n‐butylamine, Nα‐acetyl‐L‐lysine methyl ester, and a poly‐(L‐lysine) derivative as lysine models to obtain information about the possible reactions in complex protein environments. MBHA derivative 7 reacted with n‐butylamine or Nα‐acetyl‐L‐lysine methyl ester producing monoadducts 9a or 9c, which showed bright emission features in the green region at 526–535 nm with photoluminescence quantum yield values in solutions of 73 % and 51 %, respectively. Based on these results, MBHA derivative 7 can be considered an interesting new fluorogenic probe potentially useful in the labelling of basic amino acid residues. Furthermore, similar to other MBHA derivatives, compound 7 showed the tendency to produce diadducts especially in polar solvents system where specific interactions between the extended aromatic moieties may play a major role.
Batch and Continuous Flow Total Synthesis of Cannabidiol
Authors: Braga Felipe C. , da Silva Felipe L. N. , de O. Ramos Tiago , Rosa João G. H. , de A. Araujo Érica , Junior Nelson F. C. , Wendler Edison P. , Beatriz Adilson , de Souza Rodrigo O. M. A. , Brocksom Timothy J. , de Oliveira Kleber T. 
Published: July 2024

AbstractHerein, we present a comprehensive total synthesis of cannabidiol integrating both batch and continuous flow conditions. Our approach is planned to streamline the synthesis of olivetolic acid derivatives and utilize an enantiomerically pure monoterpene moiety obtained from naturally occurring (R)‐(+)‐limonene by photocatalysis. Key reactions, including the synthesis of olivetolic ester and a Friedel‐Crafts alkylation, are successfully adapted to continuous flow, resulting in improved yields and selectivities. This study not only offers a scalable and efficient route for cannabidiol synthesis but also contributes to the synthetic approaches to access cannabinoids (diversity synthesis), with potential applications in medicinal and industrial contexts.
Facile Synthesis of β‐trifluoromethyl thioethers via DBN‐catalyzed Hydrothiolation of α‐(Trifluoromethyl)styrenes with Thiols
Authors: Deng Yupian , Huang Jiaqi , Qian Yuhao , Sun Zhudi , Huang Qingchun , Cao Song 
Published: July 2024

AbstractA very simple and atom‐economical method for the synthesis of vicinal trifluoromethyl thioethers via DBN‐catalyzed hydrothiolation of α‐(trifluoromethyl)styrenes with thiols was reported. The reaction proceeded smoothly under mild reaction conditions and provided the β‐CF3‐thioethers in moderate to good yields in an anti‐Markovnikov manner. Furthermore, this method features several remarkable advantages, such as the use of a catalytic amount of DBN, broad substrate scope, excellent functional group compatibility, and easy scalability.
Volunteering in community‐based sports clubs: A refined insight into the role of commitment
Authors: De Clerck Tom , De Bock Thomas , Van Doren Nele 
Published: July 2024

AbstractSports club volunteerism transcends mere organizational support, enriching the lives of volunteers and the wider community. Despite its profound impact, many sports clubs struggle with effectively mobilizing and retaining volunteers. Hence, this study utilized partial correlational and cluster analyses to explore how volunteers' affective commitment (i.e., emotional attachment) and normative commitment (i.e., moral duty) relate to their work effort and the intention to sustain their volunteer work over an extended period of time. A total of 355 volunteers from Flemish sports clubs participated in this study. Partial correlational results revealed a strong link between affective commitment and both volunteer work effort and long‐term involvement. However, cluster analyses revealed a more nuanced picture, identifying four distinct commitment profiles: fully committed, affective commitment (AC) dominant, moderately fully committed, and weakly committed. Comparing these profiles in terms of volunteer outcomes indicated that, while affective commitment was the primary driver of work effort, normative commitment played a crucial role in sustaining volunteer involvement when combined with affective commitment. For sports clubs, these findings emphasize the importance of fostering both affective and normative commitment by creating an inclusive and values‐oriented environment. Additionally, recognizing and understanding volunteers' commitment profiles can inform tailored support strategies, ultimately ensuring a sustainable future for the community.
Biological and Computational Studies of Hydrazone Based Transition Metal(II) Complexes
Authors: Kumar Binesh , Devi Jai , Dubey Amit , Kumar Manish 
Published: July 2024

AbstractIn the chronicles of human history, infectious diseases played a pivotal role, influencing societies, steering advancements in medicine, and significantly impacting the well‐being of people worldwide. Consequently, in the pursuit of identifying effective combating agents for infectious ailments, the Co(II), Ni(II), Cu(II), Zn(II) complexes of N′‐(4‐nitrobenzylidene)benzohydrazide were synthesized in the current investigation. Numerous spectral and physical analysis were conducted to characterize the compounds which revealed octahedral stereochemistry of complexes. The anti‐tuberculosis, anti‐inflammatory, antibacterial and antifungal investigations demonstrated that the compounds (1–5) have significant efficacy for these infectious ailments. The [Zn(L)2(H2O)2] complex (5) has comparable TB inhibition potency to streptomycin as shown by MIC value of 0.0196±0.0003 μmol/mL. Additionally, the anti‐inflammatory, antibacterial and antifungal studies also revealed the comparable inhibiting property of (5) to standard drugs with significant IC50 (07.49±0.08 μM) and MIC (0.0098 μmol/mL) values. Furthermore, pharmacophore modeling with addition of molecular docking, DFT, MESP, ADMET were employed against compounds (1–5) to give a new insight in biological evaluations. The pharmacophore modeling suggested that (5) has a distinctive pharmacophoric features including cationic sites, hydrogen‐bond donors and acceptors which provide valuable insights into rational drug design for specific pharmacological applications. Moreover, another in silico investigations authenticate the bioactivity of (5) through substantial binding affinities, binding energy, stability, hardness, electrophilicity etc. Overall, the combined computational and experimental results highlight the potential of [Zn(L)2(H2O)2] as a promising candidate for tuberculosis treatment, meriting further in vivo investigations.
A case of AML with complex karyotype and chromosomal rearrangement of KMT2A
Authors: Moshref Razavi Habib , Minor Agata 
Published: July 2024

Key Clinical MessageThis is a case of an elderly patient diagnosed with acute myeloid leukemia (AML). While morphological findings, including numerous long, slender, cigar‐shaped Auer rods, suggested AML with t(8;21), cytogenetic and FISH analysis revealed abnormalities in chromosome 11 and the KMT2A (MLL) gene. The patient also exhibited double minutes, typically seen in AML and linked to a complex karyotype and poor prognosis. Correlating morphological findings with molecular genetics and cytogenetics is crucial for accurate diagnosis and treatment.
Machine Learning‐Inspired Molecular Design, Divergent Syntheses, and X‐Ray Analyses of Dithienobenzothiazole‐Based Semiconductors Controlled by S⋅⋅⋅N and S⋅⋅⋅S Interactions
Authors: Ogaki Takuya , Matsui Yasunori , Okamoto Haruki , Nishida Naoyuki , Sato Hiroyasu , Asada Toshio , Naito Hiroyoshi , Ikeda Hiroshi 
Published: July 2024

AbstractInspired by the previous machine‐learning study that the number of hydrogen‐bonding acceptor (NHBA) is important index for the hole mobility of organic semiconductors, seven dithienobenzothiazole (DBT) derivatives 1 a–g (NHBA=5) were designed and synthesized by one‐step functionalization from a common precursor. X‐ray single‐crystal structural analyses confirmed that the molecular arrangements of 1b (the diethyl and ethylthienyl derivative) and 1c (the di(n‐propyl) and n‐propylthienyl derivative) in the crystal are classified into brickwork structures with multidirectional intermolecular charge‐transfer integrals, as a result of incorporation of multiple hydrogen‐bond acceptors. The solution‐processed top‐gate bottom‐contact devices of 1b and 1c had hole mobilities of 0.16 and 0.029 cm2 V−1s−1, respectively.
The Hydronaphthalide Monoanion: Isolation of the “red transient” Birch Intermediate from liquid Ammonia
Authors: von Randow Clara A. , Thiele Günther 
Published: July 2024

AbstractBirch reactions employing alkali metals in ammonia have been a well‐established method for the reduction and functionalisation of aromatic compounds for nearly 100 years. Speculations regarding intermediates in the reaction pathway have been discussed since the beginning. We hereby report the isolation of NMe4(HNaph) (1), a kinetically trapped intermediate of the Birch reaction of naphthalene and sodium in liquid ammonia. 1 has been fully characterised and has been shown to continue to react to 1,2/1,4‐dihydronaphthalene – the Birch product of the reduction of naphthalene. The reactivity of 1 was investigated towards activity as an electron and hydride transfer agent with both, elements and small organic molecules. 1 demonstrates a tamed reduction potential which allows for controlled reactions such as the selective formation of hexasulphide and hexaselenide anions.
Amorphous Strategy and Doping Copper on Metal–Organic Framework Surface for Enhanced Photocatalytic CO2 Reduction to C2H4
Authors: Zheng Lixiao , Yang Huayong , Zhang Min , Guan Zhongjie , Li Qiuye , Yang Jianjun 
Published: July 2024

AbstractAmorphous photocatalysts are characterized by numerous grain boundaries and abundant unsaturated sites, which enhance reaction efficiency from both kinetic and thermodynamic perspectives. However, amorphization strategies have rarely been used for photocatalytic CO2 reduction. Doping copper onto a metal–organic framework (MOF) surface can regulate the electronic structure of photocatalysts, promote electron transfer from the MOF to Cu, and improve the separation efficiency of electron‐hole pairs. In this study, an amorphous photocatalyst MOFw‐p/Cu containing highly dispersed Cu (0, I, II) sites was designed and synthesized by introducing a regulator and in situ copper species during the nucleation process of MOF (UiO‐66‐NH2). Various characterizations confirmed that the Cu species were anchored to the organometallic skeleton of the surface amorphization MOF structure. The synergistic effect of Cu doping and surface amorphization in MOFw‐p/Cu can significantly enhance the CO and CH4 yields while promoting the formation of the multicarbon product C2H4. The approach holds promise for developing novel, highly efficient MOFs as photocatalysts for CO2 photoreduction, enabling the production of high‐value‐added C2 products.
Experimental Investigation of Evaporation of Methanol and n‐Pentane on a Submerged Capillary Structure
Authors: Margraf Hendrik , Luke Andrea 
Published: July 2024

AbstractThe heat transfer limit of heat pipes is investigated by pool boiling experiments in a standard apparatus with a capillary layer placed on a copper tube. The capillary layer is a hollow cylinder made of bronze with a wall thickness of 2 mm and the test fluids are methanol and n‐pentane. The setting is comparable to high‐flux tubes already investigated in the literature. In dependence on the heat flux, three to four sections with different characteristics are identified. Compared to plain copper tubes, the heat transfer is partially increased by a factor of 12 until the limit is reached at around 70 kW m−2.
Pan‐Cancer Analysis Links Altered RNA m7G Methyltransferase Expression to Oncogenic Pathways, Immune Cell Infiltrations and Overall Survival
Authors: Su Anni , Song Renhua , Wong Justin J.‐L. 
Published: July 2024

ABSTRACTBackgroundN7‐methylguanosine (m7G) modification is one of the most prevalent RNA modifications in humans. Dysregulated m7G modifications caused by aberrant expression of m7G writers contribute to cancer progression and result in worse patient survival in several human cancers. However, studies that systematically assess the frequency and clinical relevance of aberrant m7G writer expression in a pan‐cancer cohort remain to be performed.AimsThis study aims to systematically investigate the molecular alteration and clinical relevance of m7G methyltransferase in human cancers.MethodsWe analysed genome, transcriptome and clinical data from the Cancer Genome Atlas Research Network spanning 33 types of human cancers for aberrant changes in genes encoding m7G writers.ResultWe demonstrate that m7G writers are dysregulated in human cancers and are associated predominantly with poorer survival. By dividing patients into those with high and low m7G scores, we show that a lower m7G score is generally associated with immune infiltration and better response to immunotherapy.ConclusionOur analyses indicate the genetic alterations, expression patterns and clinical relevance of m7G writers across various cancers. This study provides insights into the potential utility of m7G writer expression as a cancer biomarker and proposes the possibility of targeting m7G writers for cancer therapy.
A Fatal Case of Immune Checkpoint Inhibitor‐Mediated Myasthenia Gravis, Myositis, and Cardiomyopathy Overlap Syndrome in Urothelial Carcinoma
Authors: Newman Matthew T. , Bikhchandani Mihir 
Published: July 2024

ABSTRACTBackgroundImmune checkpoint inhibitors (ICIs) have led to improved outcomes for many cancer types. However, their use can also precipitate immune‐related adverse events (irAEs) that can affect any organ system. While irAEs are often mild, they rarely affect multiple organ systems concurrently and can be fatal.CaseWe report a fatal case of myasthenia gravis, myositis, and cardiotoxicity overlap syndrome precipitated by the ICI pembrolizumab along with a brief review of available literature.ConclusionEarly recognition of high grade irAEs and prompt intervention is essential. Despite the poor prognosis of these overlap syndromes, current recommendations offer little guidance for severe cases and warrant a call for increased awareness and expansion of available therapeutics.
Ticagrelor modestly raises plasma riboflavin concentration in humans and inhibits riboflavin transport by BCRP and MRP4
Authors: Deng Feng , Hämäläinen Kreetta , Lehtisalo Minna , Neuvonen Mikko , Niemi Mikko 
Published: July 2024

Riboflavin (vitamin B2) has been proposed as a biomarker for breast cancer resistance protein (BCRP) activity. In recent studies in mice, cynomolgus monkeys, and humans, BCRP‐inhibiting drugs increased the plasma concentration of riboflavin. We showed recently that ticagrelor inhibits BCRP and raises the plasma concentrations of the BCRP substrate rosuvastatin in healthy volunteers. In the same drug–drug interaction study, we now investigated whether ticagrelor affects the plasma concentrations of riboflavin. Intake of 90 mg ticagrelor increased the ratio between the peak plasma riboflavin concentration and the fasting riboflavin concentration before ticagrelor administration by 1.20‐fold (90% confidence interval, 1.10–1.32; P = 0.006) compared to placebo. In vitro, riboflavin was transported by BCRP and multidrug‐resistance‐associated protein 4 (MRP4) but no clear transport was observed by MRP2, MRP3, or the P‐glycoprotein. Moreover, ticagrelor inhibited the transport of riboflavin in BCRP‐ and MRP4‐expressing membrane vesicles with unbound 50% inhibitory concentrations of 0.020 and 1.1 μM, respectively. Based on vesicle and tissue protein expression data, the small intestinal MRP4‐mediated efflux clearance of riboflavin (1.2–1.4 nL/min/mg) was estimated to be similar to that mediated by BCRP (0.23–1.3 nL/min/mg). As MRP4 is expressed in the basolateral membrane of enterocytes, it may facilitate the absorption of riboflavin and impair the utility of riboflavin as a biomarker of intestinal BCRP. To conclude, ticagrelor modestly raises the plasma concentration of riboflavin probably by inhibiting intestinal BCRP. Inhibition of intestinal MRP4 may have reduced the absorption of riboflavin and limited the effect of ticagrelor on riboflavin levels.
Measuring Interactions Between Proteins and Small Molecules or Nucleic Acids
Authors: Lackner Angela , Qiu Yanfei , Armanus Emy , Macapagal Alijah Nicholas Kahea , Leonidas Lemuel , Xu Huilin , McNulty Reginald 
Published: July 2024

AbstractInteractions between proteins and small molecules or nucleic acids play a pivotal role in numerous biological processes critical for human health and are fundamental for advancing our understanding of biological systems. Proteins are the workhorses of the cell, executing various functions ranging from catalyzing biochemical reactions to transmitting signals within the body. Small molecules, including drugs and metabolites, can modulate protein activity, thereby impacting cellular processes and disease pathways. Similarly, nucleic acids, such as DNA and RNA, regulate protein synthesis and function through intricate interactions. Understanding these interactions is crucial for drug discovery and development and can shed light on gene regulation, transcriptional control, and RNA processing, providing insights into genetic diseases and developmental disorders. Moreover, studying protein–small molecule and protein–nucleic acid interactions enhances our comprehension of fundamental biological mechanisms. A wide array of methods to study these interactions range in cost, sensitivity, materials usage, throughput, and complexity. Notably in the last decade, new techniques have been developed that enhance our understanding of these interactions. In this review, we aim to summarize the new state‐of‐the‐art methods for detecting interactions between proteins and small molecules or nucleic acids, as well as discuss older methods that still hold value today. © 2024 Wiley Periodicals LLC.