bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Electrocatalytic Performance for Oxygen Reduction Reaction of Porous Carbon Materials Functionalized by Binuclear Ball‐Type Metallophthalocyanines
Authors: Zhang Gai , Zhao Kaihui , Tan Amin , Yang Yan 
Published: December 2024

ABSTRACTBinuclear ball‐type metallophthalocyanines, Co2Pc2(EP)4, were wrapped on porous carbon Z67‐900 materials using a facilely “π–π assembly” method to prepare Co2Pc2(EP)4@Z67‐900 catalysts for oxygen reduction reactions (ORR). The XRD and pore size distribution results indicate that the presence of high graphitization degree and porosity distribution in Z67‐900. The high graphitization degree of Z67‐900 carbon materials is beneficial for the formation of π–π interaction based on the π electron‐conjugated structure of the binuclear ball‐type metallophthalocyanines Co2Pc2(EP)4 system. The electrocatalytic test shows that the reduction potential −0.18 V (vs. SCE) for Co2Pc2(EP)4@Z67‐900 is 20% higher than that of commercial Pt/C. The porosity distribution in Z67‐900 promotes the oxygen molecules concentration around the active sites MN4‐type Co2Pc2(EP)4 macrocyclic system to form an intermediate O2ads‐Co2Pc2(EP)4@Z67‐900. The π–π interactions between Co2Pc2(EP)4 and Z67‐900 decreased the activation energy of the *OOH dissociation step in a four‐electron ORR process. It provides a theoretical basis for the subsequent application research of zinc‐air batteries.
Size and Crystallinity‐Dependent Photocatalytic Performance of MIL‐53(Fe) and MIL‐53(Fe)/g‐C3N4 Composite
Authors: Zhu Anran , Yuan Qing , Xiao Peipei , Liu Mingzhu , Li Longfeng 
Published: December 2024

ABSTRACTMIL‐53(Fe) is a novel photocatalytic material that has been developed over the past decade; however, significant efforts are still required to fully optimize its photocatalytic performance in order to meet the requirements of practical applications. In this paper, we investigated the effects of size and crystallinity on the photocatalytic performance of MIL‐53(Fe) and its composites x‐MIL‐53(Fe)/g‐C3N4 (x‐MIL‐Fe/CN). During the hydrothermal synthesis process, the control over particle size was achieved by adjusting the amount of acetic acid (HAc). Ball milling was utilized to manipulate both the size and crystallinity of MIL‐53(Fe). Photocatalytic experiments demonstrated that MIL‐53(Fe) and 15‐MIL‐Fe/CN, characterized by the smallest particle sizes and great crystallinity, exhibited the highest photocatalytic activity. This enhancement in photocatalytic activity can be attributed to the reduced band gap and lower recombination rate of photogenerated carriers. Notably, the hydrogen evolution rate for 15‐MIL‐Fe/CN reached up to 4950 μmol·g−1·h−1, but MIL‐53(Fe) achieved a 98% degradation of methyl orange within 60 min.
Synthesis, Crystal Structure, Formation Mechanism, Theoretical Studies, and Biological Evaluation of Azine‐Based Bismuth (III) Complex
Authors: Yao Fei‐Hong , Tang Chen‐Xuan , Fan Xie‐Yu , Zheng Yue‐You , Deng Tian‐Hong , Liu Can , He Xuan‐Li , Lei Yan‐Hua , Li Xu , Tao Li‐Ming , Li Chuan‐Hua 
Published: December 2024

ABSTRACTThe azine‐based bismuth (III) complex [Bi(H2L1)(NO3)3(H2O)2]•H2O(1a) was synthesized by an equivalent reaction between Schiff base and Bi (NO3)3•5H2O using mannitol as an auxiliary agent. During the formation of the complex (1a), the Schiff base containing 3‐methoxy group transformed into 3‐methoxysalicylaldehyde azine and further coordinated with BiIII ion to form a mononuclear BiIII complex (1a). Bismuth (III) ions were unexpectedly found to catalyze the formation of the azines from Schiff bases derived from pyrazinohydrazide, and their formation mechanism was further studied. Theoretical studies of the complex (1a) involving thermodynamic and electronic properties were done using the density functional theory (DFT) B3LYP method. Furthermore, in vitro biological evaluation showed that the antimicrobial and cytotoxic activities of the complex (1a) were much higher than those of free ligands. The obtained MIC and IC50 values of the complex (1a) were almost close to those of the reference drugs.
Inspecting the Antimicrobial, Bio‐Catalytic, DNA Interactions, In Vitro Cytotoxicity, and Cell Cycle Analysis Efficiency of Newly Nano‐Sized Co (II), Ni (II), Cu (II), and Zn (II) Complexes of Schiff's Base Ligand: Spectroscopic Characterization and Quantum Chemical Calculations
Authors: Mousa Ibtisam , Madkhali Marwah M. M. , Aldulmani Sharah A. , Alaghaz Abdel‐Nasser M. A. 
Published: December 2024

ABSTRACTNano‐sized bivalent metal complexes of Cu (II) (C1), Ni (II) (C2), Co (II) (C3), and Zn (II) (C4) were prepared and characterized of the form [M(L)2] where L = 2‐((E)‐((4‐methyl‐2‐(((E)‐thiophen‐2‐ylmethylene)amino)phenyl)imino)methyl)benzenethiol] (C19H16N2S2), M = Cu (II), Ni (II), Co (II), and Zn (II). Elemental analyses, molecular weight calculations, infrared, 1H, 13C, and 15N NMR, electronic, mass, magnetic susceptibility, and conductivity assessments were employed to evaluate our bivalent metal complexes. DFT studies were used to study the tautomeric equilibrium of the ligand (HL), via the DFT\B3LYP technique in connection with a 6–311G* correlation consistent basis set. The metal formed four coordinated with the tridentate N2S donor Schiff base to form octahedral geometry complexes. The XRD analysis of the divalent metal complexes revealed sharp, intense diffraction peaks, indicating their crystalline nature with nanoscale particle sizes. Additional evidence was provided by EDX, SEM, and AFM images, which also confirmed the uniform distribution across the complex surface. Analysis of the absorption patterns for the nano‐sized complexes interaction with CT‐DNA signifies that the complexes bind via intercalation, with intrinsic binding constant (Kb) spanning from 4.25 × 105 to 8.34 × 103 M−1. Nano‐sized metal (II) complexes show a higher viscous nature than HL. The cytotoxicity of H‐L ligand and its complexes against HCT‐116, and M‐NFS‐60 cells was assessed by the MTT assay. Complex C3 shows greater cytotoxic effects compared to Cisplatin on MCF‐7 cells. Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in both liver and breast cancer cell lines.
Polyethylene Glycol–Bridged Diimidazolium Polyoxometalates: Thermoregulated Reusable Catalysts for Selective Oxidation of Toluene to Benzaldehyde
Authors: Qian Shu , Yu Fengli , Luo Yexin , Yuan Bing , Xie Congxia , Yu Shitao 
Published: December 2024

ABSTRACTThe oxidation of toluene to benzaldehyde holds great industrial significance, and it typically involves toxic reagents and/or affords difficult‐to‐separate product mixtures. Herein, polyethylene glycol (PEG)–bridged diimidazolium polyoxometalates (POMs) with a Keggin‐type tungstovanadophosphoric heteropolyacid anion and various PEG‐functionalized diimidazolium cations were prepared and evaluated as catalysts for the eco‐friendly oxidation of toluene using aqueous tert‐butyl hydroperoxide in acetonitrile. The bridging of diimidazolium cations by PEG enabled the fine‐tuning of heteropolyanion redox properties and increased catalyst reactivity and solubility in the reaction system. The best‐performing POM exhibited thermoregulated phase‐separation behavior, that is, it was fully soluble in the reaction medium at elevated temperatures and hardly soluble at room temperature. Further, it showed almost no performance deterioration after sevenfold reuse and achieved an acceptable toluene conversion (82%) and benzaldehyde selectivity (68%). Thus, our work enables the development of eco‐friendly processes for the catalytic oxidation of industrially relevant hydrocarbon and thus facilitates the establishment of a more sustainable society.
Charge State Influence on Stability and Isomerism in Dehydrogenated PAHs: Insights from Anthracene, Acridine, and Phenazine
Authors: Zghida Khaldia , Hamza Reguig Farouk , Alcamí Manuel , Mokhtar Lamsabhi Al 
Published: December 2024

AbstractIn this study, we systematically explored the stability and isomerism of neutral and dehydrogenated polycyclic aromatic hydrocarbons (PAHs) in various charge states, focusing on anthracene, acridine, and phenazine. Our findings highlight key aspects that deepen the understanding of these molecules’ reactivity and stability, relevant in both laboratory and astrophysical contexts. Structural symmetry and the presence of nitrogen atoms significantly impact PAH stability and reactivity. The optimal site for the first dehydrogenation varies with charge state, with notable differences in stability observed across different positions and charge states. For the loss of two hydrogens, there is a clear competition between low and high spin states, influenced by the positions of the hydrogens lost. Infrared spectral analysis reveals characteristic frequencies of conjugated Csp2−Csp2 bonds and variations across different charge states. The elimination of H2 typically occurs at adjacent carbons, forming bonds similar to triple bonds. Reaction networks for anthracene, acridine, and phenazine indicate preferred pathways for hydrogen loss, driven by the need to minimize charge repulsion and maintain aromaticity. Adjacent hydrogen loss is predominant in neutral and singly charged states, shifting to non‐adjacent loss in higher charge states.
Harvesting Solar Energy: Prediction of Daily Global Horizontal Irradiance Using Artificial Neural Networks and Assessment of Electrical Energy of Photovoltaic at North Eastern Ethiopia
Authors: Woldegiyorgis Tegenu A. , Assamnew Abera D. , Desalegn Gezahegn A. , Mossie Sentayehu Y. 
Published: December 2024

ABSTRACTThe difficulty and high price of measuring devices make the utilization of solar energy impractical, particularly in developing countries like Ethiopia. Because of its variability and nonlinear characteristics, it needs accurate prediction techniques in a specific location. Thus, the objectives of this article were: (i) assessing daily global horizontal irradiance using network types‐activation functions of artificial neural network (ANN); and (ii) evaluating the daily energy delivered to and available on photovoltaic (PV) cells of GaAs at Kemissie, Woldiya, and Hayk, in the northeastern part of Ethiopia. Nine parameters were used in the input layer, and daily GHI was the output result. Feed forward back propagation (FFBP) and cascade forward back propagation (CFBP) with tansig, logsig, and purelin of ANNs were used. The best pairs were FFBP‐logsig, CFBP‐logsig, and CFBP‐tangsig, with 0.8882 ≤ r ≤ 0.9833, respectively. The average values were (4.374 kWh/m2/day ≤ GHI ≤ 6.805 kWh/m2/day) at Kemissie, (4.246 kWh/m2/day ≤ GHI ≤ 7.116 kWh/m2/day) at Hayk, and (4.479 kWh/m2/day ≤ GHI ≤ 7.011 kWh/m2/day) at Woldiya. The energy delivered to and obtainable from PV cells varied between 0.1274 and 0.2135 kWh and 0.1101 and 0.1844 kWh, respectively, for all sites. This bears out the suitability of the site for the installation of a solar energy system.
Post‐COVID immunity in patients with solid tumor or hematological malignancies treated with SARS‐CoV‐2 monoclonal antibodies
Authors: Sabino‐Santos Gilberto , Leggio Cathryn E. , Litwin Sean M. , Waheed Najia , Bai Shuangyi , Ulusan Sinem , Karunathilake Anoli , Elliott Debra H. , Smira Ashley R. , Chandra Sruti , Li Lin , Ning Bo , Hu Tony , Schieffelin John S. , Gunn Bronwyn M. , Robinson James E. , Fuloria Jyotsna , Norton Elizabeth B. 
Published: December 2024

AbstractPurposeSARS‐CoV‐2 monoclonal antibody (mAB) therapy has effectively treated severe COVID‐19, although how this contributes to protective antiviral immunity in settings of malignancy is poorly defined.Patients and MethodsWe evaluated the development of post‐infection immunity in five patients with malignancies who received mAB therapy targeting spike protein for their PCR‐confirmed SARS‐CoV‐2 infection in 2021, compared with non‐mAB controls. Patients were identified from a larger study on oncology with a history or documented current infection with SARS‐CoV‐2. Subjects include two patients with lymphoma and CD20‐depletion therapy, one with myeloma and two with solid tumor (stage IIA rectal adenocarcinoma and metastatic breast cancer). Cancer therapies and COVID vaccination history varied by patient. Blood samples (1–4 per patient) were collected 71–635 days post‐mAB therapy. We employed clinical histories with comprehensive immunoprofiling analysis, including systems serology antibody isotyping and effector function, T‐cell immunophenotyping for subset and memory cells, and sensitive blood viral RNA detection up to 2 years post‐mAB therapy.ResultsB‐cell deficiency was confirmed in 3/5 patients. All patients had detectable anti‐spike and nucleoprotein antibody isotypes, effector functions, and neutralizing antibodies (which increased over time by subject) at similar levels to the control group. Virus‐specific T‐cell activation and phenotypes varied by time and patient. Spike‐specific effector and memory CD8 + T‐cells were significantly elevated in mAB subjects compared to the control group. SARS‐CoV‐2 viral RNA detection was also higher in mAB‐treated patients. One patient on bortezomib therapy had unique alterations in these populations.ConclusionAll mAB‐treated patients with malignancies developed polyfunctional immunity humoral and T‐cell immunity to SARS‐CoV‐2 even in the setting of B‐cell deficiency. The evolution of this immunity, including new variant‐specific antibodies, without secondary illnesses suggests that patients were protected from symptomatic re‐infection, and mAB therapy did not blunt the development of host immunity. Future studies are warranted to better characterize immunologic memory over time with exposures to new viral variants, evaluate prolonged viral shedding and the continued use of appropriate mAB for infection in high‐risk patients.
Signatures of Six Autophagy‐Related Genes as Diagnostic Markers of Thyroid‐Associated Ophthalmopathy and Their Correlation With Immune Infiltration
Authors: Ma Qintao , Hai Yuanping , Shen Jie 
Published: December 2024

ABSTRACTBackgroundThyroid‐associated ophthalmopathy (TAO) is one of the most complex autoimmune diseases in endocrinology areas. Autophagy‐related genes may be involved in the pathophysiology of TAO. This study aims to reveal key genes associated with autophagy in the pathogenesis and the potential diagnostic markers for TAO.MethodsWe obtained autophagy‐related differential genes (AR‐DEGs) and their expression in TAO patients and controls. Gene ontology analysis (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis were used to perform the enrichment analysis of AR‐DEGs. LASSO regression, support vector machine recursive feature elimination, and random forest were performed to screen for disease signature genes (DSGs), which were further validated in another independent validation dataset. We used the receiver operating characteristic for the evaluation of the diagnostic efficacy of DSGs and also established a nomogram. The relative proportion of immune infiltration was calculated using the CIBERSORT algorithm, and the relationship between the identified gene markers and the level of infiltrating immune cells was explored.ResultsWe identified 24 AR‐DEGs, which were primarily enriched in cellular catabolic regulation, autophagosome membrane, and ubiquitin protein ligase binding in GO analysis, while KEGG analysis highlighted autophagy as the main enriched pathway. Six DSGs were identified by three algorithms. They were validated in another independent validation dataset. The combined six‐gene model also showed good diagnostic efficacy (AUC = 0.948). We further plotted the nomogram with better diagnostic efficacy. Immuno‐infiltration analysis and correlation analysis demonstrated that six DSGs were significantly correlated with the infiltrating immune cells.ConclusionsWe identified several biological processes and pathways for the enrichment of AR‐DEGs. Six DSGs were identified, which showed great potential to become critical molecules in the diagnosis of TAO, and these DSGs showed a correlation with infiltrating immune cells.
The role of inflammatory markers and βhCG levels in predicting the success of single‐dose methotrexate treatment in tubal ectopic pregnancy
Authors: Soykan Sert Zekiye , Bertizlioğlu Mete 
Published: December 2024

AbstractObjectiveTo evaluate the predictive ability of serum beta human chorionic gonadotropin (βhCG) levels and inflammatory markers derived from hemogram parameters in the success of methotrexate (MTX) treatment for tubal ectopic pregnancy.MethodsThis retrospective study involved the examination of patients diagnosed with tubal ectopic pregnancy and treated with a single dose of MTX at our clinic between 2018 and 2023. The monocyte‐to‐lymphocyte ratio (MLR), neutrophil‐to‐lymphocyte ratio (NLR), platelet‐to‐lymphocyte ratio (PLR), and systemic immune‐inflammation index (SII) were calculated from blood samples taken at the time of presentation. βhCG levels were recorded on days 1, 4, and 7 of treatment. The patients were categorized into successful and unsuccessful treatment groups based on their response to MTX.ResultsNo statistically significant differences were found between the two groups regarding MLR, NLR, PLR, or SII values (P = 0.284, P = 0.097, P = 0.455, and P = 0.061, respectively). In the receiver operating characteristic analysis of serum βhCG from day 1 to day 4, the area under the curve value was calculated as 0.832. The cutoff value for the serum βhCG change from days 1 to 4 was −0.093 (−9.3%), with a sensitivity of 85.53% and specificity of 74.14%, and a positive predictive value (PPV) of 87.5%.ConclusionThere were no significant differences in inflammatory markers (MLR, NLR, PLR, and SII) between the successful and unsuccessful MTX treatment groups. The change in serum βhCG levels between days 1 and 4 can be used as an early predictor of MTX treatment success in tubal ectopic pregnancy.
Limited evidence for the usage of renin–angiotensin–aldosterone pathway blockers to prevent arthrofibrosis after total knee arthroplasty. A systematic review of clinical evidence
Authors: Anzillotti Giuseppe , Gomoll Andreas H. , Conte Pietro , Bulgarelli Alberto , Queirazza Paolo , Marcacci Maurilio , Kon Elizaveta , Di Matteo Berardo 
Published: December 2024

AbstractPurposeDespite advances in surgical techniques and rehabilitation protocols, arthrofibrosis following total knee arthroplasty (TKA) still has poor outcomes. In the last decade, attention has been focused on the pathogenesis and cascade of events leading to the development of fibrosis. Currently, one of the most promising approaches consists in the indirect antagonisation of transforming growth factor beta 1 (TGF‐beta 1) through the downregulation of the renin–angiotensin–aldosterone system (RAAS). This systematic review aims to analyse the available evidence regarding the use of angiotensin receptor blockers (ARBs)/angiotensin‐converting‐enzyme inhibitors (ACEi) in order to prevent post‐operative knee arthrofibrosis following TKA.MethodsExtensive research on the PubMed, Cochrane, and Google Scholar databases was performed on 8 July 2024, using keywords related to ARBs, ACE inhibitors and arthrofibrosis. Inclusion criteria included: (1) clinical trials of any level of evidence; (2) written in English; (3) studies conducted on humans; and (4) evaluating the antifibrotic effects of ACE inhibitors or ARBs administered for TKA surgeries. Exclusion criteria were articles written in other languages; preclinical studies; expert opinions; reviews and trials evaluating the effects of ACEi/ARBs not related to their antifibrotic effect after TKA.ResultsA total of six studies met the inclusion criteria and were analysed. All studies were retrospective and involved a total of 158,310 patients. Time of administration varied among the studies as well as the dosage, which fell within the range for cardiological use. Four out of six studies focused exclusively on losartan. Three studies reported a clear, significant correlation between the use of ARBs and/or ACEi and a reduced likelihood of developing arthrofibrosis.ConclusionsThe RAAS antagonism could have potential for stiffness prevention after TKA. However, given the side effects and the limited evidence available, the use of ACEi/sartans for the sole purpose of avoiding arthrofibrosis after TKA is not currently recommended.Level of EvidenceLevel III.
Relationship of difficult endoscopic retrograde cholangiopancreatography cannulation and visual characteristics of papilla
Authors: Khan Amjad , Ahmad Syeda Qumreen , Akhtar Tayyab Saeed , Bushra Hamama Tul , Imran Muhammad , Khan Javeria Zahid , Shah Sanjida , Haddayat Nadia , Mushtaq Saima , Dong Yalin , Feng Weiyi , Fang Yu 
Published: December 2024

AbstractBackground and AimEndoscopic retrograde cholangiopancreatography (ERCP) is commonly used to diagnose and treat bile duct and pancreatic disorders. Successful cannulation of the papilla is crucial for the effectiveness of ERCP; however, sometimes, it can be challenging to achieve. This study explores the relationship between net difficult ERCP cannulation with bile visibility, papilla orifice visibility, and papilla position and compares it with successful cannulation.MethodsThese data were collected from the ERCP database at the Center for Liver Disease, Holy Family Hospital, Rawalpindi, between November 2019 and November 2022. IBM SPSS version 26.0 software was used for statistical analysis.ResultsThe study included 329 patients, with 186 (56.6%) female and 143 (43.5%) male participants. Most patients were in the 39–48 age group (28.3%), with a mean age of 51 ± 1. Bile visibility was noted in 268 (81.5%) cases, papilla orifice visibility in 296 (90%) participants, atypical papilla in 20 (6.1%), and typical papilla in 309 (93.9%) participants. Bile visibility (P = 0.004) and papilla orifice visibility (P = 0.006) were significantly associated with successful cannulation, while papilla position (P = 0.116) was not. Significant associations were also found between difficult cannulation and bile visibility (P = 0.000), papilla orifice visibility (P = 0.000), and papilla position (P = 0.000).ConclusionUnderstanding this relationship can improve success rates and reduce complications associated with difficult cannulation during ERCP procedures. Further research is needed to establish clear correlations and guidelines for endoscopists to plan appropriate strategies for challenging cases.
The Influence of MuseScore Software on Students' Creative Thinking in Music
Authors: Chang Zhenhua , Zhou Min 
Published: December 2024

ABSTRACTAs pedagogical training becomes more advanced and intensive, new methods of instruction that incorporate information technology are becoming increasingly important. The purpose of this article is to investigate how using the MuseScore scorewriter to teach solfeggio affects music students' ability to think creatively. The program designed for a quasi‐experimental study was implemented with two groups of students (N = 87) at the Conservatory of Music, Ningbo University. One group used the MuseScore scorewriter to practice solfeggio during weekly music lessons, while the other group used written notation. A mixed within/between‐subject ANOVA test was used to examine students' mean pre‐and post‐test scores. The analysis revealed significant differences in total scores between the mean pre‐and post‐test scores. The experimental group significantly improved their creative thinking scores due to the intervention, whereas the control group showed only minor changes. More research is required to gain a fuller picture of music students' interactions with music technology and how they view its use in the classroom. Future research should expand on these findings by delving deeper into the reasons and motivations behind musicians' technology usage decisions, as well as the innovative ways in which they incorporate technology into their teaching methods.