bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalyst‐Free Regioselective Diborylation of Aryllithium with Tetra(o‐tolyl)diborane(4)
Authors: Mao Xiaofeng , Lu Zhenpin , Zhang Jie , Xie Zuowei 
Published: December 2023

AbstractA catalyst‐free 1,2‐diborylation of aryllithium with tetra(o‐tolyl)diborane(4) has been achieved, giving a series of 1,2‐diborylaryl lithium species in excellent yields under mild reaction conditions, which leads to 1,2‐di(tolyl)borylarenes in 60–91 % yields upon treatment with the hydride‐abstracting reagent. In these transformations, one sp2 C−H of arene is activated and both boryl units are utilized to build two new (sp2)C−B bonds. This represents a new strategy for selective arene diborylation. Density functional theory (DFT) calculations suggest that an aromatic nucleophilic substitution is a key step in the formation of the products.
High‐performance poly(lactic acid)/starch materials prepared via starch surface modification and its in situ enhancement
Authors: Zhao Xipo , Huang Zepeng , Zhang Dianfeng , Zhou Weiyi , Peng Shaoxian 
Published: December 2023

AbstractHigh‐performance modified poly(lactic acid) (PLA)/starch (ST) blends were prepared by incorporating silane coupling agent. The coupling agent acted as a bridge between PLA and ST components, enhancing their interfacial compatibility during the melt blending. The addition of epoxy‐functionalized silane coupling agent improved the interfacial adhesion between PLA and ST phases, as evidenced by the decreased number and spacing of gaps between the ST particles and PLA matrix. The coupling agent also filled the surface crack of the ST particles, improving their dispersion in PLA matrix. The tensile strength of the modified PLA/ST blend increased from 19.6 MPa for the neat PLA/ST blend to 53.4 MPa, exceeding that of neat PLA. The modified blend also showed improved hydrophobicity and thermal stability. This research presented an effective approach to reducing the cost of PLA‐based materials and improving the performance of ST‐filled PLA materials by enhancing the interfacial adhesion between ST and PLA through surface modification with silane coupling agent. It provided a simple and feasible strategy for the high‐performance modification of polyester/ST materials.
Synergistic enhancement of polyvinylpyrrolidone‐modified TiO2 and graphene oxide on the corrosion resistance of waterborne epoxy
Authors: Xu Jia‐yu , Yang Xiao‐jun , Feng An‐hua 
Published: December 2023

AbstractWaterborne epoxy (WEP) resins have garnered significant interest due to their potential application as anticorrosion coatings for steel materials. However, it has been reported that defects in the cured coatings generated during the curing process lead to the level of anticorrosion not meeting the expected effects. In this study, TiO2 and GO were selected to be modified by polyvinylpyrrolidone (PVP) to obtain PT and PG, and used to improve the anticorrosion performance of WEP. The obtained PT and PG were characterized using Fourier transform infrared, Raman, and x‐ray photoelectron spectroscopy. The morphology of PT and PG before and after modification was observed using scanning electron microscopy, and the differences were described. The analysis results of laser confocal scanning microscopy and water contact angle (WCA) indicate that there are differences in surface roughness and WCA of the WEP coatings with or without PT and PG. Electrochemical impedance spectroscopy was used to evaluate the anticorrosion performance of the coatings. The results showed that WEP coatings containing PT and PG exhibited better anticorrosion performance. The synergistic enhancement of PT and PG on the anticorrosion performance was proposed, which can be attributed to the comprehensive effect of the hydrophobicity of the coating surface and the barrier effect of PT and PG within the coatings.
Simulated evaluation of the degradation of hydrophobically associative polymers in the formation
Authors: Qi Yong , Shu Zheng , Luo Pingya 
Published: December 2023

AbstractIn this work, indoor physical simulation experiments were used to examine the effects of shear, thermal, chemical, and microbial degradation on the properties of the hydrophobic associative polymer AP‐P4. It was discovered that the viscosity of the polymer solution generally decreased as the shear time was extended. The larger the shear strength, the lower the solution viscosity. Fitting of the nonlinear equation of solution viscosity with shear time,η = 12,988 t−1.08. When thermal degradation started, the solution viscosity first started to rise, however, this phase was just a short one. The viscosity of the solution gradually started to decrease as the thermal degradation period grew. In addition, the trends of properties like hydrokinetic radius, hydrophobic connectivity, and hydrolysis essentially followed the same patterns as those of solution viscosity. At the beginning of the degradation process, the viscosity retention of the polymer solution without oxygen is significantly higher than that of the aerobic environment. However, the difference between the two becomes smaller as the degradation time increases. In addition, the AP‐P4 had good temperature resistance and aging resistance capabilities when iron ions were present. Finally, it was discovered that AP‐P4 had a strong antibacterial effect, which decreased the viscosity brought on by microbial action.
Physical and mechanical properties of fly ash‐based geopolymer with disposable medical mask reinforcement
Authors: Zhang Xinli , Li Xia , Shen Dazhi , Ma Yulian 
Published: December 2023

AbstractA tremendous amount of the nonbiodegradable microplastic waste has been generated after the outbreak of COVID‐19 by the widespread use of single‐use personal protective equipment, especially disposable medical masks (DMMs). This has caused harm to the health and safety of human beings and various organisms. Finding a way to properly deal with these single‐use medical wastes has become an urgent problem. In this paper, an innovative way was explored to use DMMs in geopolymer (GP). The physical properties, mechanical strength, and resistance to high temperatures (200–800°C) of the composites were investigated. The findings of the study revealed that DMMs had negligible influence on resistance to high temperatures, but showed a positive influence on enhancing the compressive and flexural strengths of GPs at ambient temperature. The optimum DMMs content was 0.4 wt%, at which the compressive and flexural strengths of the GP composites were enhanced by 5.8% and 22.68% compared with the pure GP, respectively. The same polypropylene (PP) fiber amount increased compressive and flexural strengths by 7.49% and 9.76%, respectively. This thus confirmed that DMMs can be sustainably utilized in green building materials, playing a role as PP fibers toughening and contributing to the effective management of waste plastics.
Nascent pharmacological advancement in adamantane derivatives
Authors: Ragshaniya Aman , Kumar Vijay , Tittal Ram Kumar , Lal Kashmiri 
Published: December 2023

AbstractThe adamantane moiety has attracted significant attention since its discovery in 1933 due to its remarkable structural, chemical, and medicinal properties. This molecule has a notable impact in the therapeutic field because of its “add‐on” lipophilicity to any pharmacophoric moieties. As in the case of molecular hybridization, in which one pharmacophore is attached to another one(s) with a probability of increasing the biological activity, adding an adamantane unit improves the absorption distribution, metabolism and excretion properties of the resultant hybrid molecule. This review summarizes various reports highlighting the biological activities of adamantane‐based synthetic compounds and their structure–activity relationship study. The information presented in this review may open up possible dimensions for adamantane‐based drug development and discovery in the pharmaceutical industry after proper structural modifications.
Sensorless control of permanent magnet synchronous motor based on fixed‐time terminal sliding mode observer
Authors: Wei Xiaojun , Mei Keqi , Ding Shihong , Jiang Lianjie 
Published: December 2023

AbstractIn the sensorless control of a sliding mode observer (SMO)‐based permanent magnet synchronous motor (PMSM), a large gain is required to ensure the stability of the sliding motion. Nonetheless, this can lead to the unexpected chattering and degrade the precision of position estimation. To overcome this trouble, we have proposed a fixed‐time nonsingular terminal SMO (NTSMO). The convergence time is independent of the initial value. Firstly, a fixed‐time nonsingular terminal sliding mode surface is designed so that the current observation error fixed‐time converges to zero, and the singularity issue can be averted. Secondly, via the phase‐locked loop tactic, the rotor position and speed are calculated from the measured back electromotive force. Thirdly, a Lyapunov function‐based proof is utilized to assure the stability of the observer. Finally, the validity of this method is confirmed by simulation tests and experiment results.
Risk factors and characteristics of the birth of patients with craniofacial microsomia, a case–control study
Authors: da Rosa Ernani Bohrer , Correia Jamile Dutra , Silveira Daniélle Bernardi , Nunes Mauricio Rouvel , Gresele Merialine , Dallagnol Miriam Elisa , Ziliotto Marieli Barp , Rosa Rafael Fabiano Machado , Zen Paulo Ricardo Gazzola 
Published: December 2023

AbstractBackgroundCraniofacial microsomia (CM) is characterized by changes in the first and second branchial arches. It is a clinical condition whose etiology is still uncertain, but studies have shown that genetic, nutritional, and environmental factors can result in disorders of blastogenesis of the branchial arches. This study evaluates gestational aspects, focusing on possible risk factors associated with CM.MethodsThis is a case–control study conducted with patients monitored at a medical genetics service and compared to a control group of patients without evidence of malformations, born in a mother and child hospital, both located in Porto Alegre, Southern Brazil. Mothers’ data were obtained using questionnaires and by reviewing medical records. The sample consisted of 43 patients with CM (cases) and 129 patients without evidence of malformations (controls), paired by sex, totaling three controls for each case. Data analysis was performed using the two‐tailed Fisher's exact test, Pearson's chi‐square test, and thet‐test.ResultsWe identified several factors associated with the development of CM, including the use of abortion methods by the mothers of these babies (p = .001), maternal diabetes (p = .009), advanced maternal age (p = .035), and a history of vaginal bleeding (p < .001). Furthermore, these patients exhibited a tendency to be born prematurely (p = .027), with low birth weight (p = .007), and lower Apgar scores (p = .003) when compared to healthy infants. Using a multivariate model, the use of abortion methods (p = .003) and vaginal bleeding (p = .032) remained independently associated with craniofacial microsomia.ConclusionsWe have identified several risk factors for the development of CM, including a propensity for premature birth, low birth weight, and respiratory difficulties. Additionally, women of advanced maternal age and/or those who used abortion methods and/or have diabetes have a higher risk of giving birth to a baby with CM. This information can be valuable in clinical practice, especially for the prevention of future cases.
Fibroblasts and endothelial cells interplay drives hypertrophic scar formation: Insights from in vitro and in vivo models
Authors: Tan Yaxin , Zhang Mengde , Kong Yi , Zhang Fanliang , Wang Yuzhen , Huang Yuyan , Song Wei , Li Zhao , Hou Linhao , Liang Liting , Guo Xu , Liu Qinghua , Feng Yu , Zhang Chao , Fu Xiaobing , Huang Sha 
Published: December 2023

AbstractHypertrophic scar formation is influenced by the intricate interplay between fibroblasts and endothelial cells. In this study, we investigated this relationship using in vitro and in vivo models. Clinical observations revealed distinct morphological changes and increased vascularity at pathological scar sites. Further analysis using OCTA, immunohistochemistry, and immunofluorescence confirmed the involvement of angiogenesis in scar formation. Our indirect co‐culture systems demonstrated that endothelial cells enhance the proliferation and migration of fibroblasts through the secretion of cytokines including VEGF, PDGF, bFGF, and TGF‐β. Additionally, a suspended co‐culture multicellular spheroid model revealed molecular‐level changes associated with extracellular matrix remodeling, cellular behaviors, inflammatory response, and pro‐angiogenic activity. Furthermore, KEGG pathway analysis identified the involvement of TGF‐β, IL‐17, Wnt, Notch, PI3K‐Akt, and MAPK pathways in regulating fibroblasts activity. These findings underscore the critical role of fibroblasts‐endothelial cells crosstalk in scar formation and provide potential targets for therapeutic intervention. Understanding the molecular mechanisms underlying this interplay holds promise for the development of innovative approaches to treat tissue injuries and diseases.
Clinicopathological characteristics and treatment outcomes of advanced SMARCA4‐deficient thoracic tumors
Authors: Wang Anni , Jin Yueping , Cao Zhengqi , Lu Li , Li Ziming 
Published: December 2023

AbstractPurposeSMARCA4‐deficient thoracic tumors, characterized by distinct clinicopathological, morphological, immunohistochemical, and genetic features, differ significantly from conventional non‐small‐cell lung carcinomas (NSCLCs). This group encompasses both SMARCA4‐deficient NSCLCs (SMARCA4‐NSCLCs) and SMARCA4‐deficient undifferentiated tumors (SMARCA4‐UTs). The efficacy of PD‐1 inhibitors in treating SMARCA4‐deficient thoracic tumors remains uncertain.MethodsMedical records of 36 patients diagnosed with stage IIIB, IIIC, or IV SMARCA4‐deficient thoracic tumors were analyzed. We assessed the clinical, pathological, and genetic features of these patients through immunohistochemistry (IHC) and a 68‐gene panel next‐generation sequencing (NGS). We compared the differences between SMARCA4‐NSCLCs and SMARCA4‐UTs, and evaluated the impact of chemotherapy and immunotherapy on patient outcomes.ResultsThe majority of patients with SMARCA4‐deficient thoracic tumors were heavy‐smoking males, averaging 64.6 years in age. IHC predominantly showed weak or negative staining for markers such as TTF‐1, CK5/6, p40, synaptophysin, chromogranin A, and CD56, which are often associated with adenocarcinoma, squamous cell carcinoma, and neuroendocrine tumors. The most common genetic mutations identified via NGS included TP53, CDKN2A, KRAS, STK11, NF1, and PTEN. No significant overall survival (OS) difference was observed between SMARCA4‐NSCLCs and SMARCA4‐UTs (p = 0.366). The median OS for patients treated with chemotherapy (n = 9) was 447 days, while the median OS for patients undergoing PD‐1‐inhibitor‐based therapy (n = 16) was not reached (p = 0.105).ConclusionSMARCA4‐deficient thoracic tumors exhibit distinct characteristics from conventional NSCLCs, and PD‐1 inhibitors show promise in treating advanced SMARCA4‐deficient thoracic tumors.
Exploring Sorbus torminalis Leaves: Unveiling a Promising Natural Resource for Diverse Chemical and Biological Applications
Authors: Ak Gunes , Tüfekci Enis Fuat , Mustafa Ahmed M. , Caprioli Giovanni , Altunoglu Yasemin Celik , Baloglu Mehmet Cengiz , Cakılcıoglu Ugur , Polat Rıdvan , Darendelioglu Ekrem , Zengin Gokhan 
Published: December 2023

AbstractSorbus torminalis (L.) Crantz has a rich history of versatile applications spanning the fields of medicine and nutrition. It is noteworthy that the decoction obtained from S. torminalis leaves is a traditional treatment method against both diabetes and stomach disorders. Phytochemical profiling determined by HPLC/MS‐MS. The effects of the extracts on cell viability were investigated using the MTT (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide) method against MDA‐MB‐231 cell line (human breast adenocarcinoma).The ethanol/water extract contained more concentration of total phenolic (91.41 mg gallic acid (GAE) equivalent /gr) and flavanoid (29.10 mg rutin (RE) equivalent/gr) in the tested extract (p<0.05). Resulting of HPLC analysis, the chemical constituents varied depending on the solvents and chlorogenic acid, hyperoside, isoquercetin, delphindin‐3,5‐diglucoside, procyanidin B2, epicatechin, neochlorogenic acid, 3,5‐dicaffeoylquinic acid were identified in all extracts. Overall, ethanol, n‐hexane and ethyl acetate extracts showed the highest inhibition for the tyrosinase enzyme. The effect of leaf extracts of S. torminalis on antimicrobial, biofilm inhibitory, and anticancer activities was examined. Based on outcomes of our study recognize this plant as a critical source of medically active chemicals for feasible phytopharmaceutical and nutraceutical applications, providing the first scientific insight into the detailed biological and chemical profiles of S. torminalis.
Relationship of Thermostability and Binding Affinity in Metal‐binding WW‐Domain Minireceptors
Authors: Pham Truc Lam , Conde González Marcos R. , Fazliev Sunnatullo , Kishore Agi , Comba Peter , Thomas Franziska 
Published: December 2023

AbstractThe design of metallo‐miniproteins advances our understanding of the structural and functional roles of metals in proteins. We recently designed a metal‐binding WW domain, WW‐CA‐Nle, which displays three histidine residues on its surface for coordination of divalent metals Ni(II), Zn(II) and Cu(II). However, WW‐CA‐Nle is a molten globule in the apo state and thus showed only moderate binding affinities with Kd values in the μM regime. In this report, we hypothesize that improved thermal stability of the apo state of the metal binding WW‐domain scaffold should lead to improved preorganization of the metal‐binding site and consequently to higher metal‐binding affinities. By redesigning WW‐CA‐Nle, we obtained WW‐CA variants, WW‐CA‐min and WW‐CA‐ANG, which were fully folded in the apo states and displayed moderate to excellent thermostabilities in the apo and holo states. We were able to show that the improved thermal stabilities led to improved metal binding, which was reflected in Kd values that were at least one order of magnitude lower compared to WW‐CA‐Nle. EPR spectroscopy and ITC measurements revealed a better defined and predisposed metal binding site in WW‐CA‐ANG.
Osseous choristoma: Report of a case on the palate and a literature review
Authors: Shamloo Nafise , Modanloo Kiarash , Khaleghi Armin 
Published: December 2023

Key Clinical MessageOsseous choristoma is a rare entity, mainly found on the posterior tongue. It is described as a nodular or exophytic lesion with firm to hard consistency. Clinicians should consider osseous choristoma when confronting lesions with the same features.AbstractOsseous choristoma is an unusual growth of ectopic bone in the soft tissue. This lesion is extremely rare, with a few cases reported in the literature, and they typically appear in the head and neck region, particularly the posterior tongue. The current report presents a case of osseous choristoma in the palate of a 51‐year‐old female. The patient had slight discomfort, which was resolved after surgical excision of the lesion, and no recurrence was observed. This research presents an instance of osseous choristoma in a less common location and concurrently acts as a review of this rare condition.
Infrared Fingerprints of the CO2 Conversion into Methanol at Cu(s)/ZrO2(s): An Experimental and Theoretical Study
Authors: Kalered Emil , Damas Giane B. , Mäkie Peter , Käll Per‐Olov , Odén Magnus , Ojamäe Lars 
Published: December 2023

AbstractThe methanol economy is an attractive approach to tackle the current concerns over the depletion of natural resources and the global warming intrinsically associated with the use of fossil fuels. This can be achieved by hydrogenation of carbon dioxide to produce methanol, a liquid fuel with potential use in civil transportation. In this study, we aim to pinpoint the intermediates that are involved in the catalytic CO2 conversion into methanol on pure zirconia (ZrO2), Cu and Cu/ZrO2 systems. To accomplish this, we make use of infrared (IR) spectroscopy measurements and quantum chemical simulations within the hybrid density functional theory (DFT) framework. At 250 °C and p~30 bar, the main species formed on the partially hydroxylated ZrO2 is bidentate formate, whereas the co‐production of bicarbonate is relevant upon cooling to T=25 °C. On pure Cu, the IR fingerprints of methanol and carbon dioxide indicate their presence in the gas phase and surface environment, albeit formate/formic acid and methoxy species are also detected at these experimental conditions. The production of methanol on Cu/ZrO2 is mostly dependent on the Cu catalyst, but the higher amount of the methoxy intermediate can be correlated with the consumption of formate adsorbed on ZrO2 or at the Cu/ZrO2 interface. On the Cu/ZrO2 mixture, the reaction mechanism is likely to involve formate as the main intermediate, instead of CO which would result from the reverse water‐gas shift reaction. Ultimately, the higher activity shown by the Cu/ZrO2 mixture might be associated with the extra‐production of methoxy/methanol catalyzed by ZrO2 in the presence of Cu.
Design, Synthesis and Biological Evaluation of Novel Anticancer Amidinourea Analogues via Unexpected 1,3,5‐Triazin‐2‐one Ring Opening
Authors: Grytsai Oleksandr , Hamouda‐Tekaya Nedra , Botton Thomas , Rocchi Stéphane , Benhida Rachid , Ronco Cyril 
Published: December 2023

AbstractAmidinoureas are an understudied class of molecules with unique structural properties and biological activities. A simple methodology has been developed for the synthesis of aliphatic substituted amidinoureas via unexpected cycle opening of benzothiazolo‐1,3,5‐triazine‐2‐ones and transamination reaction of N‐(N‐(benzo[d]thiazol‐2‐yl)carbamimidoyl)aniline‐1‐carboxamide in good yields. A novel series of amidinoureas derivatives was designed, synthesized, and evaluated for its antiproliferative activity on an aggressive metastatic melanoma A375 cell line model. This evaluation reveals antiproliferative activities in the low micromolar range and establishes a first structure‐activity relationship. In addition, analogues selected for their structural diversity were assayed on a panel of cancer cell lines through the DTP‐NCI60, on which they showed effectiveness on various cancer types, with promising activities on melanoma cells for two hit compounds. This work paves the way for further optimization of this family of compounds towards the development of potent antimelanoma agents.
Host‐Guest Chemistry in Binary and Ternary Complexes Utilizing π‐Conjugated Carbon Nanorings
Authors: Fan Yanqing , He Jing , Guo Shengzhu , Jiang Hua 
Published: December 2023

AbstractThe carbon nanorings, possessing a radial π system, have garnered significant attention primarily due to their size‐dependent photophysical properties and the presence of a unique curved π‐conjugated cavity. This is evidenced by the rapid proliferation of publications. Furthermore, the integration of building blocks into CPP skeletons can confer [n]CPPs with novel and exceptional photophysical and electronic characteristics, as well as chiral properties and host‐guest interactions, thereby augmenting the diversity of [n]CPPs. Notably, the curved π surface structures and concave cavity of carbon nanorings enable them to host aromatic or non‐aromatic guests with a complementarily curved surface, resulting in interesting binary or ternary complexes. This review provides a comprehensive treatment of literature reports on binary and ternary complexes, focusing on both their host‐guest interactions and properties. It is important to note that the scope of this review is limited to host‐guest chemistry in binary and ternary complexes based on π‐conjugated carbon nanorings.