bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shedding Light on Eu(III) β‐Diketonate Compounds with 1,2‐Bis(diphenylphosphino)ethane Oxide Ligand: an Optical Study
Authors: Santos Paulo R. S. , Jesus Ashley A. S. S. , Lima William B. , Arruda Joaldo G. , Faustino Wagner M. , Felinto Maria C. F. C. , Sabino José R. , Brito Hermi F. , Costa Israel F. , Moura Renaldo T. , Carneiro Neto Albano N. , Malta Oscar L. , Terraschke Huayna , Teotonio Ercules E. S. 
Published: November 2023

AbstractA series of novel lanthanide β‐diketonate coordination compounds containing the ancillary ligand bis(diphenylphosphino) oxide (dppeO2) have been synthesized, characterized, and studied spectroscopically. The compounds of formulas Ln(β‐dik)3(dppeO2), where Ln: Eu and Gd and β‐dik ligands as tta (Ln‐1), btf (Ln‐2), bzac (Ln‐5) and tfac (Ln‐4), and Ln2(β‐dik)6(dppeO2) with ligand dbm (Ln‐3) and fod (Ln‐6). Their photophysical properties were investigated from the Judd‐Ofelt intensity parameters (
), radiative (
) and non‐radiative (
) rates, intrinsic (
) and overall (
) quantum yields, and CIE (x,y) color coordinates. The Eu‐5 and Eu‐6 compounds have the first excited triplet states T1 (around 18802 and 18976 cm−1, respectively) almost resonant with the Eu3+ 5D0 emission level, whereas the complexes Eu‐1, Eu‐2, Eu‐3, and Eu‐4 exhibited higher T1 energies. The
values were predominantly driven by the intensity parameter
, suggesting more pronounced angular changes in the first coordination sphere of the Eu3+ ion. The
values also exhibited significant changes with the β‐diketonate ligands. Eu‐1 showed the highest value of
(60 %), indicating a more efficient intramolecular energy transfer process. On the other hand, Eu‐5 and Eu‐6 compounds showed
values equal to 18.7 % and 16.5 %, respectively, which indicates the presence of luminescence quencher channels.
Updated Chronic Copper Bioavailability Models for Invertebrates and Algae
Authors: Nys Charlotte , Van Sprang Patrick , Lofts Stephen , Baken Stijn , Delbeke Katrien , De Schamphelaere Karel 
Published: November 2023

Abstract
Chronic copper (Cu) bioavailability models have been successfully implemented in European risk assessment frameworks and compliance evaluations. However, they were developed almost two decades ago, which calls for an update. In the study, we present updated chronic Cu bioavailability models for invertebrates and algae. They consider recent ecotoxicity data sets and use the more recent speciation model Windermere Humic Aqueous Model (WHAM) VII and an optimized model structure (i.e., a generalized bioavailability model [gBAM]). Contrary to the classic biotic ligand model, a gBAM models the effect of pH on Cu2+ toxicity via a log-linear relationship parametrized through the pH slope SpH. The recalibrated SpH parameters are −0.208 for invertebrates (Daphnia magna, two clones) and −0.975 for algae (Raphidocelis subcapitata and Chlorella vulgaris). The updated models predict 80% to 100% of the observed effect levels for eight different species within a factor of 2. The only exception was one of the two data sets considering subchronic 7-day mortality to Hyalella azteca: the prediction performance of the updated invertebrate model at pH ≥ 8.3 was poor because the effect of pH on Cu2+ toxicity appeared to be dependent on the pH itself (with a steeper pH slope compared with the updated invertebrate model at pH ≥ 8.1). The prediction performance of the updated Cu bioavailability models was similar to or better than that of the models used for regulatory application in Europe until now, with one exception (i.e., H. azteca). Together with the recently published fish bioavailability model, the models developed in the present study constitute a complete, updated, and consistent bioavailability model set. Overall, the updated chronic Cu bioavailability model set is robust and can be used in regulatory applications. The updated bioavailability model set is currently used under the European Union Registration, Evaluation, Authorisation, and Restriction of Chemicals framework regulation to guide the safe use of Cu. Environ Toxicol Chem 2024;43:450–467. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Environmentally Relevant Concentrations of the Insecticide Fipronil Modulated Molecular Response in Chironomus riparius
Authors: Pinto Thandy Junio da Silva , Martínez-Guitarte José-Luis , Amaral Dias Mariana , Montagner Cassiana Carolina , Espindola Evaldo Luiz Gaeta , Muñiz-González Ana-Belén 
Published: November 2023

Abstract
Pesticides employed worldwide for crop protection easily reach aquatic systems, which act as the main reservoirs, and become a risk factor for aquatic fauna. Fipronil is a broad-spectrum insecticide acting on the insect nervous system; however, other effects and systems unrelated to this mechanism could be affected in non-target organisms. Thus, the present study aimed to assess the impact of fipronil on the suborganismal response (gene expression and enzymatic activity) of Chironomus riparius larvae as a model organism in ecotoxicology. To this end, short-term toxicity tests were carried out with fourth-instar larvae exposed to 0.001, 0.01, and 0.1 µg L−1 of fipronil for 24 and 96 h. Messenger RNA levels of 42 genes related to diverse metabolic pathways were analyzed by real-time polymerase chain reaction, complemented with catalase (CAT), glutathione S-transferase (GST), and acetylcholinesterase (AChE) activities. Few effects were observed at 24 h; however, after longer exposure (96 h), genes involved in the endocrine, detoxification, stress, and immune response pathways were altered. Moreover, fipronil at 96 h increased CAT and GST activity at 0.01 µg L−1 and AChE at the highest concentrations. The results demonstrate that even low environmentally relevant fipronil concentrations can modulate the molecular response of several cellular pathways in C. riparius after short-term exposure. These results bring new information about the underlying response of fipronil and its mode of action on a key aquatic invertebrate. Despite no effects on mortality, strong modulation at the suborganismal level emphasizes the advantage of biomarkers as early damage responses and the harmful impact of this pesticide on freshwater organisms. Environ Toxicol Chem 2024;43:405–417. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Abstract
Fipronil alters molecular response in Chironomus riparius. PCR, polymerase chain reaction; GST, glutathione S-transferase; shsp, small heat shock protein; ATM, ataxia telangiectasia mutated; Dis, disembodied; E93, ecdysone-induced protein 93; EcR, ecdysone receptor; JHAMT, juvenile hormone acid methyltransferase; Cyp, cytochrome P450; hsp, heat shock protein; def, defensin; Krh1, Krüppel homolog 1; MAPR, membrane-associated progesterone receptor; MRP-1, multidrug resistance–associated protein 1; CAT = catalase; SOD = superoxide dismutase.
Dietary antioxidant status indices may not interact with CETP Taq1B polymorphism on lipid profile and severity of coronary artery stenosis in patients under coronary angiography
Authors: Ahmadi Vasmehjani Azam , Seyed Hosseini Seyed Mostafa , Khayyatzadeh Sayyed Saeid , Madadizadeh Farzan , Mazaheri‐Naeini Mahta , Yavari Mahdie , Darabi Zahra , Beigrezaei Sara , Taftian Marzieh , Arabi Vahid , Motallaei Maryam , Salehi‐Abargouei Amin , Nadjarzadeh Azadeh 
Published: November 2023

AbstractThe association of CETP Taq1B polymorphism with some metabolic traits is still controversial. The interaction of adherence to dietary indices with this polymorphism on the severity of coronary artery stenosis and serum lipid parameters needs to be investigated. This study aimed to test this hypothesis. This cross‐sectional study included 453 patients who were referred from Afshar Hospital of Yazd and undergoing coronary angiography from 2020 to 2021. Dietary intake was evaluated by a 178‐item validated and reliable dietary questionnaire. Dietary indices such as dietary antioxidant index (DAI), dietary antioxidant quality score (DAQS), and dietary phytochemical index (DPI) are determined according to dietary guidelines. The Taq1B variant was genotyped by the polymerase chain reaction‐restriction fragment length polymorphism method (PCR‐RFLP). Two‐way ANOVA was used to test the interaction between Taq1B polymorphism and dietary indices. The results of the frequency analysis of Taq1B genotypes showed that 10.4% were B1B1, 72.4% B1B2, and 17.2% B2B2. No significant interaction was found between the Taq1B variant with high adherence to DAQS, DAI, and DPI on total cholesterol (TC), high‐density lipoprotein cholesterol (HDL), low‐density lipoprotein cholesterol (LDL), triglyceride (TG) levels, and Gensini score (GS) and Syntax score (SS). In high‐adherence dietary indices, lipid profile and coronary artery stenosis scores did not differ significantly in Taq1B genotypes. Due to the insignificant results in this research, further studies are needed to investigate the role of Taq1B SNP in modulating dyslipidemia and the severity of the CAD in interaction with dietary indices.
The United States experience with diagnosing and treating esophageal cancer during the SARS‐CoV‐2 pandemic: A retrospective cohort study
Authors: Stuart Christina M. , Meguid Robert A. , Bronsert Michael R. , Rodriguez Franco Salvador , Mungo Benedetto , Schulick Richard D. , Gleisner Ana L. , McCarter Martin D. , Mitchell John D. , Dyas Adam R. 
Published: November 2023

AbstractThe downstream effects on healthcare delivery during the initial wave of the COVID‐19 pandemic remain unclear. The purpose of this study was to determine how the healthcare environment surrounding the pandemic affected the oncologic care of patients diagnosed with esophageal cancer. This was a retrospective cohort study evaluating patients in the National Cancer Database (2019–2020). Patients with esophageal cancer diagnoses were divided into pre‐pandemic (2019) and pandemic (2020) groups. Patient demographics, cancer‐related variables, and treatment modalities were compared. Among 26,231 esophageal cancer patients, 14,024 patients (53.5%) were in the pre‐pandemic cohort and 12,207 (46.5%) were in the pandemic cohort. After controlling for demographics, patients diagnosed during the pandemic were more likely to have poorly differentiated tumors (odds ratio [OR] 1.24, 95% confidence interval [CI] 1.08–1.42), pathologic T3 disease compared to T1 (OR 1.25, 95% CI 1.02–1.53), positive lymph nodes on pathology (OR 1.36, 95% CI 1.14–1.64), and to be pathologic stage IV (OR 1.51, 95% CI 1.29–1.76). After controlling for oncologic characteristics, patients diagnosed during the pandemic were more likely to require at least two courses of systemic therapy (OR 1.78, 95% CI 1.48–2.14) and to be offered palliative care (OR 1.13, 95% CI 1.04–1.22). While these patients were offered curative therapy at lower rates, this became non‐significant after risk‐adjustment (p = .15). The pandemic healthcare environment was associated with significantly increased risk‐adjusted rates of patients presenting with advanced esophageal cancer. While this led to significant differences in treatment, most of these differences became non‐significant after controlling for oncologic factors.
Angle‐dependent light scattering in tissue phantoms for the case of thin bone layers with predominant forward scattering
Authors: Witke Tom , Kuhn Eduard , Teichert Fabian , Goßler Christian , Schwarz Ulrich Theodor , Thränhardt Angela 
Published: November 2023

AbstractThe cochlea forms a key element of the human auditory system in the temporal bone. Damage to the cochlea continues to produce significant impairment for sensory reception of environmental stimuli. To improve this impairment, the optical cochlear implant forms a new research approach. A prerequisite for this method is to understand how light propagation, as well as scattering, reflection, and absorption, takes place within the cochlea. We offer a method to study the light distribution in the human cochlea through phantom materials which have the objective to mimic the optical behavior of bone and Monte‐Carlo simulations. The calculation of an angular distribution after scattering requires a phase function. Often approximate functions like Henyey–Greenstein, two‐term Henyey–Greenstein or Legendre polynomial decompositions are used as phase function. An alternative is to exactly calculate a Mie distribution for each scattering event. This method provides a better fit to the data measured in this work.
Vitamin K1 ameliorates lipopolysaccharide‐triggered skeletal muscle damage revealed by faecal bacteria transplantation
Authors: Xiao Yuru , Feng Jianguo , Jia Jing , Li Jie , Zhou Yingshun , Song Zhangyong , Guan Fasheng , Li Xuexin , Liu Li 
Published: November 2023

AbstractBackgroundSepsis‐associated muscle weakness is common in patients of intensive care units (ICUs), and it is closely associated with poor outcomes. The mechanism of sepsis‐induced muscle weakness is unclear. Recent studies have found that gut microbiota and metabolites are involved in the regulation of skeletal muscle mass and metabolism. This study aimed to investigate the effects of gut microbiota and metabolites on sepsis‐associated muscle weakness.MethodsIn a lipopolysaccharide (LPS)‐induced inflammation mouse model, mice with different sensitivities to LPS‐induced inflammation were considered as donor mice for the faecal microbiota transplantation (FMT) assay, and recipient mice were divided into sensitive (Sen) and resistant (Res) groups. Skeletal muscle mass and function, as well as colonic barrier integrity were tested and gut microbiota and metabolite composition were analysed in both groups of mice. The effect of intestinal differential metabolite vitamin K1 on LPS‐triggered muscle damage was investigated, and the underlying mechanism was explored.ResultsRecipients exhibited varying LPS‐triggered muscle damage and intestinal barrier disruption. Tibialis anterior (TA) muscle of Sen exhibited upregulated expression levels of MuRF‐1 (0.825 ± 0.063 vs. 0.304 ± 0.293, P = 0.0141) and MAFbx (1.055 ± 0.079 vs. 0.456 ± 0.3, P = 0.0092). Colonic tight junction proteins ZO‐1 (0.550 ± 0.087 vs. 0.842 ± 0.094, P = 0.0492) and occludin (0.284 ± 0.057 vs. 0.664 ± 0.191, P = 0.0487) were significantly downregulated in the Sen group. Metabolomic analysis showed significantly higher vitamin K1 in the faeces (P = 0.0195) and serum of the Res group (P = 0.0079) than those of the Sen group. After vitamin K1 intervention, muscle atrophy‐related protein expression downregulated (P < 0.05). Meanwhile SIRT1 protein expression were upregulated (0.320 ± 0.035 vs. 0.685 ± 0.081, P = 0.0281) and pNF‐κB protein expression were downregulated (0.815 ± 0.295 vs. 0.258 ± 0.130, P = 0.0308). PI3K (0.365 ± 0.142 vs. 0.763 ± 0.013, P = 0.0475), pAKT (0.493 ± 0.159 vs. 1.183 ± 0.344, P = 0.0254) and pmTOR (0.509 ± 0.088 vs. 1.110 ± 0.190, P = 0.0368) protein expression levels were upregulated in TA muscle. Meanwhile, vitamin K1 attenuated serum inflammatory factor levels.ConclusionsVitamin K1 might ameliorate LPS‐triggered skeletal muscle damage by antagonizing NF‐κB‐mediated inflammation through upregulation of SIRT1 and regulating the balance between protein synthesis and catabolism.
Rational optimization of 2D Bi2MoO6 nanopiece@2D g‐C3N4 nanoflake composite for boosting photocatalytic performance of hydrogen evolution rate and organic dye removal
Authors: Wang Zhentao , Wang Jingjing , Iqbal Waheed , Qiao Yuxin , Liu Shuxin , Qin Chuanguang 
Published: November 2023

AbstractBACKGROUNDPreparing catalysts with heterojunction structures is a strategy to achieve efficient charge separation and transfer of charges to enhance photocatalytic activity of photocatalysts. To optimize the graphitic carbon nitride (g‐C3N4)‐based photocatalysts, Bi2MoO6@ 2D g‐C3N4 catalyst was prepared.RESULTS2D Bi2MoO6 nanopiece@2D g‐C3N4 nanoflake composites in different proportions were prepared by the hydrothermal method. The prepared materials were characterized by various modern instrumental analyses, and their photocatalytic ability to decompose water and degrade rhodamine B under visible light irradiation was tested. Compared with pure Bi2MoO6 nanopiece and g‐C3N4 nanoflake, the hydrogen evolution rate of Bi2MoO6 nanopiece@g‐C3N4 nanoflake (1:10) composite was highest, at 4847 μmol h−1 g−1. The composite (3:10) exhibited significantly enhanced photocatalytic rhodamine B degradation for organic dye removal due to the formation of an excellent heterojunction to improve the separation and migration efficiency of photogenerated carriers.CONCLUSIONO2− and •OH were the two main active species in the photocatalytic degradation of rhodamine B. Bi2MoO6 formed a heterojunction with g‐C3N4, which accelerated separation and migration efficiency, thereby enhancing the photocatalytic activity. © 2023 Society of Chemical Industry (SCI).
Shifted Legendre method for solutions of Riccati type functional differential equations and application of RL circuit model
Authors: Elmacı Deniz , Yüzbaşı Şuayip , Baykuş Savaşaneril Nurcan 
Published: November 2023

AbstractIn order to solve the Riccati type functional differential equations under mixed condition, this research suggests a collocation approach based on shifted Legendre polynomials. These equations are seen in physics and electronic sciences. By means of the evenly spaced collocation points, the shifted Legendre polynomials, their derivatives and matrix forms, the method is constructed. It reduces the problem into a system nonlinear algebraic equations. Error analysis is made. The method is applied to numerical examples and their results are compared with other methods from literature. And also, the method is applied to nonlinear RL electrical circuit model. The results show that the method is effective.
Nuclear magnetic resonance analysis of extra virgin olive oil: classification through secoiridoids
Authors: Tsiafoulis Constantinos G , Liaggou Christina , Garoufis Achilleas , Magiatis Prokopios , Roussis Ioannis G 
Published: November 2023

AbstractBACKGROUNDExtra virgin olive oil (EVOO), a natural product with a multidisciplinary role, has been and is continuing to be studied from several points of view. Among them, its chemical analysis is of major importance and several methods have been used. Nuclear magnetic resonance (NMR) spectroscopy has inherent advantages, among them monitoring the chemical constituents without the need for a separation technique and without, for instance, possible carry‐over effects. Additionally, several magnetic resonance spectroscopic techniques can provide a novel powered insight into the nature and properties of a sample under study. Moreover, ‐omics procedure can reveal new information and can lead to the classification of populations under study. The main objective of the present work was the possible classification of the EVOO samples based on their aldehyde content using a proposed unreferenced 1H‐NMR spectroscopic quantification method combined with a metabolomic approach. Moreover, the study of the impact of such elevated aldehyde content on several spectra regions of importance in the proton NMR spectra led to the proposal of a possible new isomer indicator.RESULTSUnivariate analysis of 12 EVOO samples showed that oleacein, oleocanthal, elenolic acid, hydroxytyrosol/hydroxytyrosol derivatives and tyrosol/tyrosol derivatives strongly differentiated two classes of EVOO: OEH (for high aldehyde EVOO content) and OE (for non‐high aldehyde content). Moreover, we pointed out the 'impact' of such elevated secoiridoid and derivatives content, through their moieties' units, on a range of several resonances of the 1H‐NMR spectrum. The metabolomic approach demonstrated the classification of EVOO samples based on their secoiridoid and derivatives content. Multivariate analysis showed a strong influence on the discrimination of the EVOO classes based on the protons resonating at the aldehyde region of the 1H‐NMR spectrum; the aldehyde protons corresponding to 5S,4R‐ligstrodial and 5S,4R‐oleuropeindial, oleacein, oleocanthal, elenolic acid, p‐HPEA‐EA, 3,4‐DHPEA‐EA, 5S,4R‐ and 5S,4S‐ligstrodial and the proton corresponding to a new compound were reported for the first time. This isomer compound, reported for the first time, could serve as a possible indicator for EVOO classification.CONCLUSIONSAn unreferenced quantification method was proposed and EVOO samples were classified into two classes: OEH and OE, according to their aldehyde content, gaining thus probably higher nutrient and possible pharmacological value. Moreover, we point out the 'impact' of such elevated aldehyde content on several spectral regions of the 1H spectrum. Finally, a new compound was detected in the OEH samples and is reported for the first time. This compound could possibly be an indicator. © 2023 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Potential therapies targeting nuclear metabolic regulation in cancer
Authors: Chen Yanjie , Xu Jie , Liu Xiaoyi , Guo Linlin , Yi Ping , Cheng Chunming 
Published: November 2023

AbstractThe interplay between genetic alterations and metabolic dysregulation is increasingly recognized as a pivotal axis in cancer pathogenesis. Both elements are mutually reinforcing, thereby expediting the ontogeny and progression of malignant neoplasms. Intriguingly, recent findings have highlighted the translocation of metabolites and metabolic enzymes from the cytoplasm into the nuclear compartment, where they appear to be intimately associated with tumor cell proliferation. Despite these advancements, significant gaps persist in our understanding of their specific roles within the nuclear milieu, their modulatory effects on gene transcription and cellular proliferation, and the intricacies of their coordination with the genomic landscape. In this comprehensive review, we endeavor to elucidate the regulatory landscape of metabolic signaling within the nuclear domain, namely nuclear metabolic signaling involving metabolites and metabolic enzymes. We explore the roles and molecular mechanisms through which metabolic flux and enzymatic activity impact critical nuclear processes, including epigenetic modulation, DNA damage repair, and gene expression regulation. In conclusion, we underscore the paramount significance of nuclear metabolic signaling in cancer biology and enumerate potential therapeutic targets, associated pharmacological interventions, and implications for clinical applications. Importantly, these emergent findings not only augment our conceptual understanding of tumoral metabolism but also herald the potential for innovative therapeutic paradigms targeting the metabolism–genome transcriptional axis.