bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessment of fungal species in some spices using molecular study with detection of their mycotoxins using chromatography analysis
Authors: Saleh Sakar Kamal Hama , Hassan Khulod Ibraheem , Mahmud Pari Hama Sharef , Abdalla Soz Salah 
Published: May 2024

AbstractSpices are food flavouring agents that are highly used in Iraq. However, they may be contaminated by toxicogenic fungi and subsequent production of mycotoxins. The aim of this study was to investigate the contamination of commonly used spices with fungi using polymerase chain reaction (PCR) assay and to detect fungal mycotoxin using high‐performance liquid chromatography. Thirty‐five spices (seven samples from each black pepper, red pepper, turmeric, cumin and ginger) were cultured on an appropriate medium to identify various fungi species. Later on, the toxigenicity of Aspergillus flavus and Aspergillus niger was determined using a PCR assay. The fungal mycotoxins, including aflatoxins and ochratoxins, were then determined through a high‐performance liquid chromatography using the validated Quick, Easy, Cheap, Effective, Rugged, and Safe (QuECHERS) method. Aspergillus species were the predominantly isolated fungi, followed by Penicillium and Fusarium. The PCR results indicate the high toxigenicity of A. flavus as 85.7% of the strains had aflQ/aflR genes and 79% had PKS15KS/PKS15C‐MeT genes. Regarding mycotoxin contamination in spices, the highest rates of aflatoxins and ochratoxins were found in black pepper (5.913 μg/kg) and red chilli (6.9055 μg/kg), respectively. Spices are susceptible substrates for the growth of mycotoxigenic fungi. Thus, regular effective surveillance and quality control procedures are highly recommended.
Cardiovascular adverse events associated with immune checkpoint inhibitors: A retrospective multicenter cohort study
Authors: Zheng Yi , Chen Ziliang , Song Wenhua , Xu Yu , Zhao Zhiqiang , Sun Yihong , Wang Yuanyuan , Geng Xuhong , Zhao Jun , Zhang Xiaowei , Xu Yanmin , Chan Jeffrey Shi Kai , Tse Gary , Li Guangping , Hong Lili , Liu Tong 
Published: May 2024

AbstractBackgroundOver the past decade, immune checkpoint inhibitors (ICIs) have significantly transformed cancer treatment. However, ICIs inevitably may cause a spectrum of immune‐related adverse events, among which cardiovascular toxicity, particularly myocarditis, while infrequent, has garnered increasing attention due to its high fatality rate.MethodsWe conducted a multicenter retrospective study to characterize ICI‐associated cardiovascular adverse events. Logistic regression was performed to explore the risk factors for the development of myocarditis and severe myocarditis. Receiver operating characteristic curves were conducted to assess the diagnostic abilities of cardiac biomarkers to distinguish different cardiovascular toxicities, and the performance and calibration were evaluated using Hosmer–Lemeshow test.ResultsForty‐four patients were identified, including thirty‐five myocarditis, five heart failure, three arrhythmias, and one myocardial infarction. Compared with other patients, myocarditis patients had higher cardiac troponin‐I (cTnI) levels (p < 0.001), higher creatine kinase levels (p = 0.003), higher creatine kinase isoenzyme‐MB (CK‐MB) levels (p = 0.013), and shorter time to the incidence of adverse cardiovascular events (p = 0.022) after ICI treatment. Twenty‐one patients (60%) were classified as severe myocarditis, and they presented higher cardiac troponin I (cTnI) levels (p = 0.013), higher N‐terminal pro‐B‐type natriuretic peptide levels (p = 0.031), higher creatine kinase levels (p = 0.018), higher CK‐MB levels (p = 0.026), and higher neutrophil to lymphocyte ratio (NLR) levels (p = 0.016) compared to non‐severe myocarditis patients after ICI treatment. Multivariate logistic regression showed that CK‐MB (adjusted odds ratio [OR]: 1.775, 95% confidence interval [CI]: 1.055–2.984, p = 0.031) was the independent risk factor of the development of ICI‐associated myocarditis, and cTnI (adjusted OR: 1.021, 95% CI: 1.002–1.039, p = 0.03) and NLR (adjusted OR: 1.890, 95% CI: 1.026–3.483, p = 0.041) were the independent risk factors of ICI‐associated severe myocarditis. The receiver operating characteristic curve showed an area under curve of 0.785 (95% CI: 0.642 to 0.928, p = 0.013) for CK‐MB, 0.765 (95% CI: 0.601 to 0.929, p = 0.013) for cTnI, and 0.773 for NLR (95% CI: 0.597 to 0.948, p = 0.016).ConclusionsElevated CK‐MB after ICI treatment is the independent risk factor for the incidence of ICI‐associated myocarditis, and elevated cTnI and NLR after ICI treatment are the independent risk factors for the development of ICI‐associated severe myocarditis. CK‐MB, cTnI, and NLR demonstrated a promising predictive utility for the identification of ICI‐associated myocarditis and severe myocarditis.
Analysis of hepatitis B virus infection in 1424 patients with different pathological types of lymphoma (2018–2022): A real‐world, retrospective study
Authors: Li Zhaoxia , Guo Wei , Zhao Yangzhi , Wang Haotian , Guo Jing , Li Zhe , Wang Bowen , Cao Luming , Xu Jihong , Young Ken H. , Bai Ou 
Published: May 2024

AbstractObjectiveRecent studies have found a high prevalence of hepatitis B virus (HBV) infection in patients with non‐Hodgkin's lymphoma (NHL), especially B‐cell non‐Hodgkin's lymphoma (B‐NHL). However, most studies did not classify it and analyze the correlation between HBV and its various subtypes.MethodsThe authors retrospectively analyzed 1424 patients with lymphoma. Differences in the prevalence of HBV infection in patients with different pathological types of lymphoma were analyzed. The clinical characteristics, progression‐free survival (PFS), and overall survival (OS) of HBV‐positive and negative B‐NHL subtypes were compared according to HBV infection.ResultsThe HBV infection rate in NHL patients was 7.65%, which was higher than that in HL patients (2.59%, p < 0.05). The HBV infection rate in the B‐NHL was higher than that in the T‐cell non‐Hodgkin's lymphoma (T‐NHL) (8.14% vs. 4.95%). The HBV infection rate in the aggressive B‐NHL was similar to that of the indolent B‐NHL (8.30% vs. 7.88%), and the highest HBV infection rates were found in diffuse large B‐cell lymphoma and chronic lymphocytic leukemia/small lymphocytic lymphoma, but no significant differences in clinical characteristics, PFS, and OS were seen between HBV‐positive and negative patients in the two subtypes.ConclusionsThere was an association between HBV infection and the development of NHL and HBV infection may play a role in the pathogenesis of B‐NHL, but not T‐NHL.
Therapeutic Promises of Bioactive Rosavin: A Comprehensive Review with Mechanistic Insight
Authors: Aktar Asma , Bhuia Shimul , Chowdhury Raihan , Hasan Rubel , Islam Rakib Asraful , Al Hasan Sakib , Akter Sonia Fatema , Torequl Islam Muhammad 
Published: May 2024

AbstractRosavin is an alkylbenzene diglycoside primarily found in Rhodiola rosea (L.), demonstrating various pharmacological properties in a number of preclinical test systems. This study focuses on evaluating the pharmacological effects of rosavin and the underlying molecular mechanisms based on different preclinical and non‐clinical investigations. The findings revealed that rosavin has anti‐microbial, antioxidant, and different protective effects, including neuroprotective effects against various neurodegenerative ailments such as mild cognitive disorders, neuropathic pain, depression, and stress, as well as gastroprotective, osteoprotective, pulmoprotective, and hepatoprotective activities. This protective effect of rosavin is due to its capability to diminish inflammation and oxidative stress. The compound also manifested anticancer properties against various cancer via exerting cytotoxicity, apoptotic cell death, arresting the different phases (G0/G1) of the cancerous cell cycle, inhibiting migration, and invading other organs. Rosavin also regulated MAPK/ERK signaling pathways to exert suppressing effect of cancer cell. However, because of its high‐water solubility, which lowers its permeability, the phytochemical has low oral bioavailability. The compound‘s relevant drug likeness was evaluated by the in silico ADME, revealing appropriate drug likeness. We suggest more extensive investigation and clinical studies to determine safety, efficacy, and human dose to establish the compound as a reliable therapeutic agent.
Suberitolactams A−D and Suberitopyridines A−B: New γ‐lactam and Pyridine Alkaloids Isolated from the South China Sea Sponge Pseudospongosorites suberitoides
Authors: Wang Zhe , Li Guo‐Qiang , Zhang Han‐Ting 
Published: May 2024

AbstractFour new γ‐lactam alkaloids, suberitolactams A−D (1–4), two new pyridine alkaloids, suberitopyridines A−B (7–8), and two known compounds (5–6) were isolated from the South China Sea sponge Pseudospongosorites suberitoides. The structures were elucidated by detailed 1D and 2D NMR experiments along with HRESIMS analysis and single crystal X‐ray diffraction. Compounds 1 and 8 showed moderate to weak antiviral activity against H1 N1 virus with IC50 values of 27.6 and 13.3 μM, respectively.
1,25‐Dihydroxyvitamin D3 attenuates platelet aggregation potentiated by SARS‐CoV‐2 spike protein via inhibiting integrin αIIbβ3 outside‐in signaling
Authors: Wang Ruijie , Tian Zezhong , Wang Caixia , Zhang Bingying , Zhu Meiyan , Yang Yan 
Published: May 2024

AbstractPlatelet hyperreactivity contributes to the pathogenesis of COVID‐19, which is associated with a hypercoagulability state and thrombosis disorder. It has been demonstrated that Vitamin D deficiency is associated with the severity of COVID‐19 infection. Vitamin D supplement is widely used as a dietary supplement due to its safety and health benefits. In this study, we investigated the direct effects and underlying mechanisms of 1,25(OH)2D3 on platelet hyperreactivity induced by SRAS‐CoV‐2 spike protein via Western blot and platelet functional studies in vitro. Firstly, we found that 1,25(OH)2D3 attenuated platelet aggregation and Src‐mediated signaling. We further observed that 1,25(OH)2D3 attenuated spike protein‐potentiated platelet aggregation in vitro. Mechanistically, 1,25(OH)2D3 attenuated spike protein upregulated‐integrin αIIbβ3 outside‐in signaling such as platelet spreading and the phosphorylation of β3, c‐Src and Syk. Moreover, using PP2, the Src family kinase inhibitor to abolish spike protein‐stimulated platelet aggregation and integrin αIIbβ3 outside‐in signaling, the combination of PP2 and 1,25(OH)2D3 did not show additive inhibitory effects on spike protein‐potentiated platelet aggregation and the phosphorylation of β3, c‐Src and Syk. Thus, our data suggest that 1,25(OH)2D3 attenuates platelet aggregation potentiated by spike protein via downregulating integrin αIIbβ3 outside‐in signaling.
Serum IL‐24 combined with CA125 as screening and prognostic biomarkers for NSCLC
Authors: Zhang Kai , Qu Jiao , Deng Shu , Yuan Enwu 
Published: May 2024

AbstractNoninvasive and effective methods for early screening of non‐small cell lung cancer (NSCLC) still need to be developed. At present, a reasonable conclusion is that a combination of tumor markers is a superior predictor of screening. Cytokines, as important regulators of cancer development, have great potential for the screening and prognosis of NSCLC. This study screened novel biomarkers related to the early screening and prognosis of NSCLC. In the present study, the biological significance and immunoregulation of interleukin‐24 (IL‐24) were analyzed based on The Cancer Genome Atlas data. Next, 150 serum samples from initially treated patients with NSCLC and 70 controls were collected, and we obtained pathological sections from 60 patients with NSCLC. The ELISA and immunohistochemistry results showed the differential expression of IL‐24 and carbohydrate antigen 125 (CA125). The results show that IL‐24 is an important tumor suppressor in NSCLC that helps to improve the poor prognosis of these patients. A significantly negative correlation between IL‐24 and CA125 levels was also found. Notably, serum IL‐24 levels were significantly negatively correlated with the TNM stage of patients with NSCLC, consistent with an important role for tumor suppressors in NSCLC. The receiver operating characteristic curve analysis showed that a combination of IL‐24 and CA125 was an effective panel for discriminating patients with NSCLC from HD, and individuals with other lung diseases. Serum IL‐24 and CA125 levels were identified as independent prognostic markers for NSCLC. The IL‐24 and CA125 panel exhibited good performance in the screening of NSCLC.
Photocatalyzed Acylmethylation/Cyclization of Unactivated Alkenes with Sulfoxonium Ylides towards Acylmethylated Polycyclic Quinazolinones
Authors: Wu Yechun , Liu Lingli , Yu Jin‐Tao , Pan Changduo 
Published: May 2024

AbstractThe synthesis of acylmethylatated pyrrolo‐quinazolinones was developed via photo‐induced cascade radical addition/cyclization of N‐(but‐3‐enyl)quinazolin‐4(3H)‐ones with sulfoxonium ylides using 4CzIPN as the photocatalyst. This approach was also suitable for the construction of acylmethylatated piperidino‐quinazolinones. This protocol features with mild conditions, convenient operation, broad substrate scope and good functional group compatibility.
What Limits Conquest of Stability Descriptors? – Intriguing Aspects of Dissolution of Oxygen Evolution Electrocatalysts
Authors: Zeradjanin Aleksandar R. , Lim Ahyoun , Spanos Ioannis , Masa Justus 
Published: May 2024

AbstractDesign of active and stable electrocatalysts for the oxygen evolution reaction (OER) requires in‐depth understanding of the electrocatalyst properties and interfacial structural dynamics during OER. One of the essential insights for advanced electrocatalyst design is vivid understanding of the drivers and mechanisms of dissolution of electrocatalysts. In this work we analyze some important aspects of electrocatalyst dissolution during OER, to deepen and advance our understanding of activity‐stability relations and relevant stability descriptors.
Rational Design of Coumarin‐Based Hybridized Local and Charge‐Transfer Blue Emitters for Solution‐Processed Organic Light‐Emitting Diodes
Authors: Xie Qi , Liao Chuanxin , Liu Hongli , Wang Shirong , Li Xianggao 
Published: May 2024

AbstractHybridized local and charge‐transfer (HLCT) with the utilization of both singlet and triplet excitons through the “hot excitons” channel have great application potential in highly efficient blue organic light‐emitting diodes (OLEDs). The proportion of charge‐transfer (CT) and locally excited (LE) components in the relevant singlet and triplet states makes a big difference for the high‐lying reverse intersystem crossing process. Herein, three novel donor (D)‐acceptor (A) type HLCT materials, 7‐([1,1′‐biphenyl]‐4‐yl(9,9‐dimethyl‐9H‐fluoren‐2‐yl)amino)‐3‐phenyl‐1H‐isochromen‐1‐one (pPh‐7P), 7‐([1,1′‐biphenyl]‐4‐yl(9,9‐dimethyl‐9H‐fluoren‐2‐yl)amino)‐3‐methyl‐1H‐isochromen‐1‐one (pPh‐7M), and 6‐([1,1′‐biphenyl]‐4‐yl(9,9‐dimethyl‐9H‐fluoren‐2‐yl)amino)‐3‐methyl‐1H‐isochromen‐1‐one (pPh‐6M), were rationally designed and synthesized with diphenylamine derivative as donor and oxygen heterocyclic coumarin moiety as acceptors. The proportions of CT and LE components were fine controlled by changing the connection site of diphenylamine derivative at C6/C7‐position and the substituent at C3‐position of coumarin moiety. The HLCT characteristics of pPh‐7P, pPh‐7M, and pPh‐6M were systematically demonstrated through photophysical properties and density functional theory calculations. The solution‐processed doped OLEDs based on pPh‐6M exhibited deep‐blue electroluminescence with the maximum emission wavelength of 446 nm, maximum luminance of 8755 cd m−2, maximum current efficiency of 5.83 cd A−1, and maximum external quantum efficiency of 6.54 %. The results reveal that pPh‐6M with dominant 1LE and 3CT components has better OLED performance.
Asymmetric Synthesis of Quaternary α‐Aryl Stereocentres in Benzofuran‐3(2H)‐Ones Using Decarboxylative Asymmetric Allylic Alkylation
Authors: McNeill Fionn , Twamley Brendan , Guiry Patrick J. 
Published: May 2024

AbstractThe Pd‐catalysed decarboxylative asymmetric allylic alkylation (DAAA) has been applied to the enantioselective synthesis of sterically hindered benzofuran‐3(2H)‐one‐derived α‐aryl‐β‐keto esters employing the (R,R)‐ANDEN phenyl Trost ligand. A range of substrates were synthesised, employing previously developed aryllead triacetate methodology to install various aryl groups. The resulting α‐aryl‐α‐allyl benzofuran‐3(2H)‐one DAAA products were obtained in moderate to high yields and in enantioselectivities of up to 96 % ee, with the best results observed for substrates containing a di‐ortho‐substitution pattern on the aryl ring as well as naphthyl‐containing substrates.
Multiscale modeling for enhanced battery health analysis: Pathways to longevity
Authors: Yang Kaiyi , Zhang Lisheng , Wang Wentao , Long Chengwu , Yang Shichun , Zhu Tao , Liu Xinhua 
Published: May 2024

AbstractThe issues of health assessment and lifespan prediction have always been prominent challenges in the large‐scale application of lithium‐ion batteries (LIBs). This paper reviews the multiscale modeling techniques and their applications in battery health analysis, including atomic scale computational chemistry, particle scale reaction simulations, electrode scale structural models, macroscale electrochemical models, and data‐driven models at the system level. Multiscale modeling offers a profound insight into material behavior and the aging process of batteries, thereby providing a valuable reference for both estimation and management strategies of battery state of health. To extend the battery lifespan, the utilization of artificial intelligence for material discovery and manufacturing process optimization, the implementation of end‐cloud collaborative battery management systems, and the design of a multiscale simulation integration platform are considered. A management framework aimed at extending battery life is further proposed. This framework offers a promising roadmap for addressing health analysis challenges in LIBs, ultimately leading to more reliable, efficient, and durable solutions for next‐generation batteries.
Predicting Emission Spectra of Heteroleptic Iridium Complexes Using Artificial Chemical Intelligence
Authors: Pal Yudhajit , Fiala Tahoe A. , Swords Wesley B. , Yoon Tehshik P. , Schmidt J. R. 
Published: May 2024

AbstractWe report a deep learning‐based approach to accurately predict the emission spectra of phosphorescent heteroleptic [Ir(
)2(
)]+ complexes, enabling the rapid discovery of novel Ir(III) chromophores for diverse applications including organic light‐emitting diodes and solar fuel cells. The deep learning models utilize graph neural networks and other chemical features in architectures that reflect the inherent structure of the heteroleptic complexes, composed of
and
ligands, and are thus geared towards efficient training over the dataset. By leveraging experimental emission data, our models reliably predict the full emission spectra of these complexes across various emission profiles, surpassing the accuracy of conventional DFT and correlated wavefunction methods, while simultaneously achieving robustness to the presence of imperfect (noisy, low‐quality) training spectra. We showcase the potential applications for these and related models for in silico prediction of complexes with tailored emission properties, as well as in “design of experiment” contexts to reduce the synthetic burden of high‐throughput screening. In the latter case, we demonstrate that the models allow us to exploit a limited amount of experimental data to explore a wide range of chemical space, thus leveraging a modest synthetic effort.
Progress on Copper‐Based Anode Materials for Sodium‐Ion Batteries
Authors: Xu Yao , Li Shengkai , Yin Linwei , Wu Xia , Zhang Haiyan 
Published: May 2024

AbstractFossil fuels have clearly failed to meet people‘s growing energy needs due to their limited reserves, potential pollution of the environment, and high costs. The development of cleaner, renewable energy sources as well as secondary batteries for energy storage is imminent, in a modern society where energy demand is soaring. Sodium‐ion batteries (SIBs) have become the focus of large‐scale energy storage systems as a promising alternative to lithium‐ion batteries. The development of SIBs relies on the construction of high performance electrode materials. The design of low cost and high performance anode materials is a key link in this regard. Copper‐based anodes are characterized by high theoretical capacity, abundant reserves, low cost and environmental friendliness. A variety of copper‐based anode materials, which include cobalt oxides, sulfides, selenides and phosphides, have been synthesized and evaluated in the scientific literature for sodium storage. In detail, the preparation methods, response mechanisms, strengths and weaknesses, the relationship between morphology structure and electrochemical performance are discussed, as well as highlighting strategies to improve the electrochemical performance of copper‐based anode materials. Finally, we offer our perspective on the challenges and potential for the development of copper‐based anodes as a means of developing practical and high performing SIBs.
Halogenated BOIMPYs and Their Efficiency in Photodynamic Therapy
Authors: Saiyasombat Worakrit , Muangsopa Prapassara , Khrootkaew Tunyawat , Chansaenpak Kantapat , Pinyou Piyanut , Sapermsap Natakorn , Sangtawesin Sorawis , Kamkaew Anyanee 
Published: May 2024

AbstractBOIMPY (bis‐ (borondifluoride)‐8‐imidazodipyrromethene) photosensitizers were developed for imaging‐guided photodynamic therapy (PDT). The introduction of heavy atoms (Br and I) to the β‐positions of BOIMPY combined with the twisted structure of the molecule was the strategy to enhance the intersystem crossing process of the BOIMPYs and reduce intermolecular π–π interactions of BOIMPY core. To clarify the electronic features of BOIMPY derivatives, their optical properties were studied using UV‐vis absorption, fluorescence spectroscopy, electrochemistry, and density functional theory (DFT) computing. The halogenated BOIMPYs exhibited a high absorption coefficient with high singlet oxygen generation ability (ΦΔ=0.46 and 0.94 for brominated and iodinated BOIMPY, respectively). More significantly, an in vitro investigation showed that all derivatives displayed fluorescence in cancer cells and that the halogenated BOIMPYs increased the effectiveness of tumor inhibition upon exposure to 660 nm red LED light radiation. The half‐maximal inhibitory concentrations for the iodinated and brominated BOIMPYs were 2.14 μM and 14.78 μM, respectively. Consequently, iodinated BOIMPY has been shown to represent a new class of photosensitizers with potential use in imaging‐guided photodynamic therapy.