bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photocatalytic Degradation of Typical Bisphenol Compounds Using Zr‐NiFe2O4@ZIF‐67/ZIF‐8 in Collaboration With Peroxydisulfate/Peroxymonosulfate
Authors: Wu Yawen , Hou Xueying , Li Ao , Li Ruijian , Yang Qingqing , Jiang Shaohua , Hu Jing yu , You Qingliang , Guo Rui 
Published: February 2025

ABSTRACTAs the amount of tetrachlorobisphenol A (TCBPA) that causes potential adverse effects on human health in the environment is continually increasing. It is therefore important to develop new materials for the adsorption or degradation of these compounds using various techniques. In this study, two novel magnetic recyclable composite catalysts Zr–NiFe2O4@ZIF‐67 and Zr–NiFe2O4@ZIF‐8 were synthesized. These catalysts degraded tetrachlorobisphenol A (TCBPA) in water by activating peroxydisulfate (PDS)/peroxymonosulfate (PMS), respectively. The results show that the Zr–NiFe2O4@ZIF‐67‐5%/LED/(NH4)2S2O8 system can degrade 95% of TCBPA (20 mg/L) within 30 min, whereas the Zr–NiFe2O4@ZIF‐8‐10%/LED/KHSO5 system degrades 90% of TCBPA within 30 min. In instances of metal leaching at low concentrations, nickel and iron ions declined to 0.008 mg·L−1, TCBPA exhibits highly efficient and sustainable catalytic properties, maintaining over 80% efficacy across six cycles. The online infrared test experiment results showed the major functional groups disappearing within approximately 130 s. The results of electron paramagnetic resonance and free‐radical‐quenching experiments showed that SO4˙−, ˙OH, 1O2, and O2˙− were involved in the degradation of TCBPA. The possible degradation paths are isomerization polymerization, dechlorination, hydroxylation, ring‐opening by oxidation, and further transformation into small molecules of acids, aldehydes, alcohols and other compounds. Thus, in this study, a reliable technique for the degradation of halogenated bisphenol compounds is developed. Overall, the photocatalytic degradation of organic pollutants in water utilizing polymetallic composites as catalysts represents an innovative approach to water treatment, demonstrating enhanced catalytic activity and recyclability, with promising prospects for significant advancements in both theoretical research and practical applications.
A Cubic Heptanuclear Cobalt(II) Bis(Salamo)‐Type Cluster: Structural, Spectroscopic, and Computational Studies
Authors: Na Li‐Ping , Liu Le‐Le , Chen Rui , Niu Hao‐Ying , Chen Chen , Wang Li , Dong Wen‐Kui 
Published: February 2025

ABSTRACTA cube‐like heptanuclear cobalt(II) cluster single crystals, namely, [Co7(L)2(μ3‐OCH3)2(μ3‐OH)4](ClO4)2, was successfully grown up by reacting of a bis(salamo)‐type ligand H3L containing two N2O2 coordination cavities with Co(NO3)2·6H2O using natural volatilization method. Single‐crystal analysis displayed that the cobalt(II) cluster is a heptanuclear cobalt(II) cluster. In this paper, the UV–Vis absorption and fluorescence spectra of H3L and its cobalt(II) cluster have been investigated. Through Hirshfeld surface analyses, the intermolecular interactions on the molecular surfaces are visually presented, and the contributions of each interaction to the intermolecular surface interactions are quantified by two‐dimensional fingerprints. DFT calculation and MEP analyses have been used to investigate the electronic structures and coordination sites of the cobalt(II) cluster.
Green Synthesis of New Water‐Soluble Nickel (II) and Copper (II) Mixed‐Ligand Complexes: Characterization, DFT, In Vitro Biological Evaluation, and COVID‐19 Molecular Docking
Authors: Khalaf Mai M. , Abd El‐Lateef Hany M. , Taha Amro Ahmed , Abdou Aly 
Published: February 2025

ABSTRACTThis study presents the synthesis, characterization, and bioevaluation of novel water‐soluble nickel (NiMNPSCA) and copper (CuMNPSCA) mixed‐ligand complexes. The complexes were synthesized in aqueous media using Ni (II) or Cu (II), sodium salicylate (SCA), and a Schiff base derived from 2‐hydroxy naphthaldehyde (MNP). Comprehensive characterization was achieved using UV–vis, IR spectroscopy, mass spectrometry, elemental analysis, and thermal and magnetic techniques. Both complexes exhibited exceptional thermal stability (melting points > 300°C), water solubility, and 1:1 electrolyte behavior. Structurally, NiMNPSCA adopts a tetrahedral geometry, while CuMNPSCA features an octahedral arrangement. Quantum chemical analyses revealed a narrower energy gap (ΔE = 3.06 eV) and a higher electrophilicity index (ω = 9.66) for CuMNPSCA, suggesting superior chemical reactivity and biological potential. Both complexes demonstrated significantly enhanced antibacterial, antifungal, and anti‐inflammatory activities compared to their free ligands, with CuMNPSCA showing efficacy comparable to standard agents in both antimicrobial and anti‐inflammatory applications. Notably, CuMNPSCA exhibited potent anti‐inflammatory activity, achieving the highest inhibition rate and an IC50 value competitive with ibuprofen. Molecular docking studies reinforced these findings, highlighting the strong binding affinities of CuMNPSCA to dihydropteroate synthase (DHPS, PDB ID: 5JQ9; −8.00 kcal/mol), cyclooxygenase (COX, PDB ID: 6COX; −9.80 kcal/mol), and the SARS‐CoV‐2 main protease (Mpro, PDB ID: 6LU7; −7.60 kcal/mol). Detailed interaction analysis revealed that metal coordination significantly enhanced the complexes' stability and binding efficacy through hydrogen bonds, π‐π stacking, and π‐cation interactions. This work positions NiMNPSCA and CuMNPSCA as highly promising candidates for antimicrobial, antifungal, and anti‐inflammatory drug development, with CuMNPSCA emerging as a standout compound with strong therapeutic potential. Its multifaceted bioactivity, combined with robust structural stability and reactivity, underscores its potential as a versatile therapeutic agent, particularly in antimicrobial resistance and anti‐COVID‐19 strategies.
Influence of Bi2O3 Concentration on Optical and Gamma Ray Shielding Properties of BaTiO3 Ceramics
Authors: Nodagala Ramakumar , Ponnada Tejeswara Rao 
Published: February 2025

ABSTRACTThis study elaborated on the influence of bismuth oxide (Bi2O3, Bi) on optical and radiation shielding properties of Barium titanate (BaTiO3, BTO) when added with different wt% concentrations. To study these properties, BaTiO3–xBi2O3; x = 0,2,4,6 and 8 wt% ceramics samples were fabricated via solid state reaction method. The optical properties of prepared samples were inspected with the help of the UV–Vis technique. The absorption coefficient increased while transmittance decreased with increasing the wt% of Bi content. Samples show a decrement in indirect optical bandgap values from 3.44 to 3.35 eV while direct bandgap from 3.19 to 3.02 eV when Bi content increases from x = 0 wt% to 8 wt%. The other optical parameters, such as Urbach energy, refractive index, extinction coefficient, and dielectric constant, were also calculated. The FESEM (field emission scanning electron microscope) technique was used to identify the homogeneity in the samples. The prepared samples were tested at 356, 511, 600, 1173, 1275, and 1333 keV energies to estimate radiation shielding properties with radioactive sources 133Ba, 22Na, 137Cs, and 60Co. As Bi content increased in prepared samples, the mass attenuation coefficient (MAC) increased. At energy 356 keV, the observed MAC values are 12.685, 12.983, 13.282, 13.58, and 13.898 cm2/g while at 1333 keV, the values noticed as 5.054, 5.066, 5.079, 5.091, and 5.103 cm2/g as Bi content increased from x = 0 wt% to x = 8 wt%. Both atomic cross‐section (ACS) and electronic cross‐section (ECS) were calculated. ACS values are improved from 9.825 to 11.1967 barn/atom while the ECS values enhanced from 3.8949 to 4.0226 barn/electron at 356 keV as Bi content increased from x = 0 wt% to x = 8 wt%. This similar trend was observed at other energies (511, 600, 1173, and 1275 keV) for all prepared samples. The theoretical values obtained from Phy‐X/PSD software were compared with calculated values and found a close agreement between them. From results, it was clear that prepared samples showed enhanced optical and radiation shielding properties when Bi content increased in BTO ceramics.
A Novel Impedance Platform Based on Printed Polymer Electrodes for Automated Virus Neutralization Assays
Authors: Michaelis Stefanie , Germann Anja , Schäfer Marcus , Jungmann Jannik , Mildner Anne‐Kathrin , Riemann Iris , Bast Saskia , Knoll Thorsten , Wagner Sylvia , Kottkamp Eike , Baasner Daniel , Anczykowski Boris , Wegener Joachim 
Published: February 2025

ABSTRACTCell‐based neutralization assays are of central importance for the development of new vaccine candidates as well as quality assurance of already approved vaccines. Suppression of viral infection by neutralizing antibodies present in serum of vaccinated individuals serves as an indicator for efficacy of a vaccine. Established readouts used to date are hardly automated, provide no time resolution and require expensive reagents. These shortcomings are limiting factors in vaccine development. In contrast, when virus‐compatible host cells are grown on multi‐electrode arrays, the cellular infection state and the associated cell response are assessable by impedance measurements. Unlike endpoint assays, the host cell response is followed continuously in real time, label‐free and noninvasively. Here, a sensor platform comprising hardware, software and disposable electrode arrays is described suitable for fully automated cell‐based neutralization assays tailored for high throughput screening campaigns. To develop cost‐effective, disposable electrode arrays for impedance measurements, we screen printed film electrodes made from conducting polymers on the bottom of multi‐well plates. The polymer electrodes were characterized for their host cell compatibility and readout performance in comparison to established gold‐film electrodes. Hard‐ and software were tailored for robust and routine use in virological assays. Virus titration, virus neutralization as well as antiviral drug (Efavirenz) intervention studies were conducted using vesicular stomatitis virus (VSV) pseudotypes or the Env HIV‐1 infectious molecular clones Ce1176 and X1632 as viral model systems. The assays showed very similar analytical performance in terms of titration curves and dose–response relationships for polymer electrodes compared to commercial gold‐film electrode arrays and reporter‐based endpoint assays. Considering their technical advantages over established assays, impedance readings based on low‐cost polymer electrode arrays may become an attractive alternative to conventional assays using luminescent or colorimetric readouts.
Mixed‐Age Releases of the Endangered Pinto Abalone (Haliotis kamtschatkana) to Maximize Hatchery Production and Survival in the Wild
Authors: Sowul Kathleen A. , Bouma Joshua V. , Carson Henry S. , Frierson Taylor N. , Loose Emily L. , O'Brien Caitlin S. , Stevick Bethany C. 
Published: February 2025

ABSTRACTThe Washington State recovery programme for endangered pinto abalone (Haliotis kamtschatkana) relies on captive breeding. From 2009 to 2017, juveniles from wild parent crosses were released after an average of 20 months in the hatchery (average size 24 mm), and the results of a mark‐recapture experiment suggested that size‐at‐release was not important to survival. The results of a pilot study suggested that abalone released at 9‐month age survived at similar rates to previous releases at 20 months but that there was a significant cost to growth and survival for the 14‐month releases. From 2019 to 2022, an average of 7000 mixed‐age juveniles were released on a different subset of 24 restoration sites each year. Larger individuals (> 5 mm) from each family were released at 9 months (first years), with the remainder held in the hatchery to be released at 20 months (second years). The resulting survival at successful sites from 9‐ to 32‐month age was 0.6%–6.1% for first years and 0.6%–4.5% for second years. In two out of three trials, there was little or no evidence of reduced survival or growth as a result of releasing almost a year early. When combined with the cost savings of rearing animals for a shorter duration, possible benefits to growth, reduction in hatchery acclimatization or selection, better rotation of hatchery resources and culture space and mixing 2 years of genetic crosses into one release, we suggest that mixed‐age releases are the most efficient way forward for the conservation of pinto abalone.
Semiconductor‐Bimetallic Plasmonic Heterojunction ZnO−Ag−Cu as Reusable SERS Substrate with Attomolar Detection Limit
Authors: Behera Rojalin , Nag Amit 
Published: February 2025

AbstractSemiconductor‐bimetallic ZnO−Ag−Cu (ZAC) heterojunction of different compositions were fabricated as highly sensitive SERS substrates. ZnO nanorods were synthesized using a facile hydrothermal route. ZAC composites were synthesized via impregnation method by keeping ZnO content same and varying the mole fractions of Ag and Cu. The ZnO matrix, known for its stability and photocatalytic properties, was decorated with Ag and Cu nanoparticles to enhance plasmonic activity and boost SERS. Introducing semiconductor oxide as SERS substrate reduces the substrate cost due to its self‐cleaning property upon exposure to UV light. When SERS activity of ZAC composites were compared with either ZnO−Ag (ZA) or ZnO−Cu (ZC) composites, the best SERS performance was recorded with ZAC55, where the Ag and Cu content are same. ZAC55 produced a SERS enhancement factor of 6.2×10⁶ and a limit of detection of 10−18 M and 10−15 M for the analyte molecules Rhodamine 6 G (R6G) and Methylene Blue (MB), respectively, using 532 nm laser excitation. The enhanced SERS performance is attributed to the synergistic effects of ZnO, Ag, and Cu, unveiling ZAC55 as a promising next‐generation SERS substrate. Along with remarkable sensitivity, ZAC55 showed promising reusability and reproducibility, indicating its potential for practical applications in chemical sensing.
Investigating Lithium Segregation in Nickel‐Rich Layered Oxides via Atom Probe Tomography and its Impact on Performance
Authors: Reddy Peddi Mahender , Natarajan Sasikala , Macha Nagini , Gopalan Raghavan , Moodakare Sahana B 
Published: February 2025

AbstractNickel‐rich LiNi0.8Co0.15Al0.05O2 (NCA) is a promising alternative to LiNi1−x−yCoxMnyO2 (NMC) with x + y≤0.2, providing high specific energy and power density, making it ideal for long‐range electric vehicles. However, the formation of surface residual impurities and extreme sensitivity to moisture are detrimental to the large‐scale synthesis and electrochemical performance of NCA. This paper investigates the formation of Li2CO3 surface impurities and the elemental distribution of lithium within the secondary particle in NCA synthesized with different lithium‐to‐transition metal ratios. X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Raman spectroscopy confirm the presence of Li2CO3 on the surface of NCA prepared with 3 % excess lithium. Atom probe tomography (APT) analysis of the particle interior confirms the absence of carbonaceous products within the hierarchical structure. Instead, it reveals the segregation of lithium ions into discrete regions, which leads to the poor electrochemical performance of NCA synthesized with excess Li. Upon storage, the structural and electrochemical deterioration is more pronounced in NCA with a 3 % excess of lithium than the one prepared without excess lithium, as confirmed by XRD, Raman imaging, and electrochemical galvanostatic charge‐discharge testing.
Transarterial Chemoembolization With or Without Systemic Therapy for Unresectable Hepatocellular Carcinoma: A Retrospective Comparative Study
Authors: Guo Chengxiang , Du Weiran , Chen Yiwen , Xiao Wenbo , Sun Ke , Shen Yan , Zhang Min , Wu Jian , Gao Shunliang , Yu Jun , Que Risheng , Xue Xing , Bai Xueli , Liang Tingbo 
Published: February 2025

ABSTRACTIntroductionStandard treatments provide limited benefits for patients with intermediate‐ or advanced‐stage hepatocellular carcinoma (HCC). This retrospective observational study aimed to assess the potential improvements in outcomes associated with systemic therapies in patients receiving transarterial chemoembolization (TACE) for initially unresectable HCC.MethodsBetween February 2019 and March 2023, we reviewed patients diagnosed with intermediate‐to‐advanced HCC who were treated with either TACE or TACE combined with antiangiogenic agents and immune checkpoint inhibitors (combination therapy) as their initial treatment. To address potential confounding biases, patients were further stratified into surgical and non‐surgical cohorts, and separate analyses were conducted. The primary endpoints were progression‐free survival (PFS) and overall survival (OS), with safety profiles also evaluated.ResultsAmong 279 patients with initially unresectable intermediate or advanced HCC, 156 successfully underwent curative‐intent liver resection after preoperative treatments (TACE group, n = 69; combination group, n = 87), while 123 patients continued with non‐surgical treatments (TACE group, n = 31; combination group, n = 92). After propensity score matching, 26 matched patient pairs were generated within the non‐surgical cohort. The combination group exhibited significantly improved PFS in non‐surgical patients compared with the TACE group (9.4 vs. 7.2 months, p = 0.043). Cox proportional hazards analysis further confirmed that combination therapy was associated with improved PFS (hazard ratio = 0.476, 95% confidence interval: 0.257–0.883, p = 0.019). For surgical patients exceeding the up‐to‐seven criteria, the combination group demonstrated superior median PFS (18.0 vs. 14.6 months, p = 0.03) and OS (not reached vs. 50.1 months, p = 0.049) compared with the TACE group. Adverse events were manageable, with no treatment‐related fatalities reported.ConclusionCombination therapy with TACE demonstrated enhanced survival benefits for patients with intermediate to advanced HCC, particularly in surgical patients with higher tumor burdens.
Synthesis and Bioactivity of Selenium Nanoparticles From Tussilago farfara L. Polysaccharides: Antioxidant Properties and MCF‐7 Cell Inhibition
Authors: Guo Ke , Yang Xinxin , Wang Jin , Chang Wei , Liu Simei , Zhang Siqi , Zhang Tingting , Yan Hao , Yan Yafeng , Wang Jie , Chen Xiping , Yu Churong , Wang Guoquan , Zhao Peng 
Published: February 2025

ABSTRACTThe present study reports the synthesis of selenium nanocomplexes (Se‐TFPs) using purified polysaccharides from Tussilago farfara L. (coltsfoot). It evaluates its structural characteristics, physicochemical properties, and inhibitory effects of Michigan Cancer Foundation‐7 (MCF‐7) breast cancer cells. The influence of processing conditions on nanoparticle size and stability at 25°C was assessed using particle size and zeta potential measurements. The Se‐TFPs were synthesized by optimizing the processing conditions via response surface methodology, yielding nanoparticles with a selenium (Se)‐to‐polysaccharide mass ratio of 1:13.5, a Se‐to‐ascorbic acid molar ratio of 1:4.5, a selenite concentration of 10.7 mM, and a reaction time of 4.4 h. The resulting Se‐TFPs had an average particle size of 107.2 nm and a zeta potential of −35.1 mV. Structural and physicochemical analyses confirmed successful nanoparticle formation. Compared to TFPs, Se‐TFPs exhibited significantly enhanced scavenging activity against 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH), 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS), hydroxyl radicals, and superoxide anion radicals. The 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assays, flow cytometry, and cell cycle apoptosis analysis revealed that Se‐TFPs effectively inhibited MCF‐7 cell proliferation at the S phase, with an IC50 value of 119.62 µg/mL.
New Polyketides From Trichoderma harzianum and Their Antifungal Activity
Authors: Zhou Chengzeng , Pan Jiayu , Ge Yichao , Wu Xiaodan , Wu Bin 
Published: February 2025

ABSTRACTChemical investigation of the marine‐derived fungus Trichoderma harzianum ZN‐4 led to the isolation and identification of seven new secondary metabolites, harzianolides K–Q (1–7). The complete structures of seven new compounds were determined by high‐resolution mass spectrometry and nuclear magnetic resonance spectroscopic analyses coupled with electronic circular dichroism calculations. The seven isolates were inactive as antibacterial and antitumor agents. However, harzianolides K (1), L (2), M (3) and O (5) exhibited weak to moderate anti‐Pestalotiopsis theae activity with minimum inhibitory concentration values at the range of 25–100 µg/mL.
Chiral N‐Alkylfluorenyl‐Substituted N‐Heterocyclic Carbenes in the Gold(I)‐Catalyzed Enantioselective Cycloisomerization of 1,6‐Enynes
Authors: Heinrich Robin , Marie‐Rose Giovany , Gourlaouen Christophe , Pale Patrick , Brenner Eric , Blanc Aurélien 
Published: February 2025

AbstractA series of chiral A*Flu‐NHC‐gold(I) complexes, where A*Flu‐NHC is an N‐heterocyclic carbene (imidazolin‐2‐ylidene or benzimidazolin‐2‐ylidene) bearing a chiral 9‐alkyl‐9‐fluorenyl N‐substituent and a 2,6‐diisopropylphenyl or benzyl N’‐substituent, were straightforwardly prepared in few steps from readily available 2,6‐diisopropylamine, imidazole or benzimidazole. The chirality of the N‐substituent lies in the presence of a chiral alcoholic alkyl chain on the fluorenyl, which results from the opening of commercially available chiral styrene oxide, yielding to a 2‐hydroxy‐2‐phenylethyl or a 2‐hydroxy‐1‐phenylethyl group. Four [AuCl(A*Flu‐NHC)] complexes were tested as precatalysts in an enantioselective cycloisomerization of a 1,6‐enyne. Notably, the best inductions were observed with the benzimidazolin‐2‐ylidene derivative bearing a 2‐hydroxy‐1‐phenylethyl group on the fluorenyl ring, showing that a constrained rotation around the N−Cfluorenyl bond and a chiral center in α position of the fluorenyl ring are determining factors. Interestingly, a strong improvement of the induction with up to 72 % ee was observed using AgOTf as activator. The presence of a hydrogen bond between the hydroxyl group and OTf− in the in situ generated active cationic gold(I) species probably stiffens its structure. This type of ligand‐counteranion interaction represents a novel strategy for optimizing chirality transfer in asymmetric gold(I) catalysis.
Recent Advances on Organic Scintillators with High Exciton Utilization Efficiency for X‐Ray Scintillation and Imaging
Authors: Zhang He , Tan Yao , Gong Shaolong 
Published: February 2025

AbstractOrganic scintillators have rapidly emerged in recent years for X‐ray scintillation and imaging, benefiting from their inherent advantages of abundant raw materials, low‐temperature processing, high mechanical flexibility, and easy of large‐scale fabrication. However, conventional organic scintillators suffer from weak X‐ray absorption and inefficient exciton utilization, limiting their commercial viability. To overcome these challenges, new‐generation organic scintillators have recently been developed with innovative emission mechanisms to ensure exciton utilization efficiency and the incorporation of heavy atoms to improve X‐ray absorption. In recent years, these advancements have led to remarkable progress in high‐performance X‐ray scintillation and imaging. Here, we present a concept article on new‐generation organic scintillators with high exciton utilization efficiency, focusing on molecular design, emission mechanisms, scintillation performance, and X‐ray imaging applications. We also discuss future development trends in organic X‐ray scintillators.