bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies
Authors: Fouad R. , Mahdi Mohammed A. N. , Adly Omima M. I. 
Published: October 2024

ABSTRACTThe current study involved production, comprehensive structural analysis, and physicochemical characterizing of two distinctive complexes namely, Cu(TBH) and Zn(TBH); TBH donor ligand: N′‐(1‐(3,6‐dihydro‐4‐hydroxy‐2,6‐dioxo‐2H‐1,3‐thiazin‐5‐yl)ethylidene)‐2‐hydroxybenzohydrazide) using a wide range of analytical methods, including elemental analysis, UV–Vis, FT‐IR, and 1HNMR spectrometry, molar conductivity and magnetic susceptibility measurements, and thermal analysis. According to the findings, chelation can occur through O, N, and O donor atoms of monoanionic chelator for generating mono‐nuclear chelates with tetrahedral geometry for Cu (II) and octahedral geometry for Zn (II). The anticarcinogenic ability of TBH chelator and its coordinated compounds against human liver cancer (HepG‐2) was investigated. The Cu(TBH) complex was found to have selective and promising anticancer activity against a liver cancer cell line, with lower IC50 (liver carcinoma cell line) and higher IC50 (normal human cell line) values than other produced compounds and standard drugs. Utilizing DFT computations, the molecular structures of the TBH and its complexes were verified, offering a detailed understanding of their quantum chemical characteristics. A quantitative structure–activity relationship (QSAR) model, which illustrates the association between DFT‐computed descriptors and biological activities pIC50, was also created using multiple linear regression (MLR) on the synthesized compounds as anticancer medicines. Additionally, there are no issues with the produced compounds' oral bioavailability according to (ROF) Lipinski's rule of five. Furthermore, docking studies of the synthesized TBH chelator and its chelates with CDK2 kinase have been performed to validate the biological findings. According to our findings, the novel Cu(TBH) nanodrug exhibits considerable cytotoxic activity, prompting further study into its pharmacological profile and exploring its potential in drug development.
Synthesis and thermal characterization of polyesters and copolyesters containing selenium with potential self‐healing behavior
Authors: Daitx Tales S. , Jacoby Caroline G. , Brito Maria E. A. , Schneider Paulo H. , Mauler Raquel S. 
Published: October 2024

AbstractThis work presents a versatile method for obtaining a new family of selenium‐containing polyesters through polycondensation reactions, focusing on methodology of the synthesis, thermal characterization, and evaluation of potential self‐healing behavior of these structures. Using diselenides as monomers, homopolymers and copolymers with self‐healing behavior were synthesized in good yields and molar masses, and their structural characteristics could be modulated according to the type of monomers and their proportions. In this way, a wide range of polymers were obtained using monomers with aliphatic and aromatic structures. All the synthesized polymers were evaluated in terms of their thermal stability, which reached 200°C, and their completely amorphous structure, where the Tg could be modulated by adjusting the proportion of monomers. In addition, the self‐healing potential of polymers that were able to form films and exhibited structural mobility at room temperature was qualitatively evaluated. After 12 h of exposure to visible light at a controlled temperature, the structures containing aromatic and aliphatic mixtures at a 1:1 ratio were able to regenerate almost 100% of their surface area. The results presented in this work can contribute to the development of new methodologies for obtaining selenium‐containing polymers while increasing the range of possible self‐healing compounds.
Aboriginal flood narratives and the thunder complex in Southeast Asia
Authors: Brumm Adam , Forth Gregory 
Published: October 2024

AbstractThe ancestors of the dingo were brought to mainland Australia around 4000 years ago by people who arrived by boat. The identity of these voyagers from the north, however, and the nature of their interactions with the Aboriginal population of Australia, are unknown. Here, we propose that Indigenous flood narratives from the Kimberley contain evidence for contact between Aboriginal people and early Asian seafarers in the form of the “thunder complex”. The latter is a very specific repertoire of taboos, rituals and stories that occurs widely among ethnographically known societies of Indonesia, the Philippines and peninsular Malaysia, but has not previously been identified in Australia. Among Southeast Asian groups, this cultural complex revolves around the idea that certain prohibited acts perpetrated against animals – especially “mocking” them by treating them as though they were human – precipitate a punitive storm and/or flooding. We show that in some oral traditions of the Kimberley region animal mockery is similarly held to be the causative agent behind disastrous flooding events that took place in the past creationary epoch. We contend that this localised Aboriginal variant of the thunder complex reflects an episode of close interaction with early Austronesian‐speaking voyagers who introduced ancestral dingoes to mainland Australia, apparently via the Kimberley coast.
Cross‐Cohort Mixture Analysis: A Data Integration Approach With Applications on Gestational Age and DNA‐Methylation‐Derived Gestational Age Acceleration Metrics
Authors: Colicino Elena , Ascari Roberto , Saddiki Hachem , Merced‐Nieves Francheska , Foppa Pedretti Nicolò , Huddleston Kathi , Wright Robert O , Wright Rosalind J ,   Program Collaborators for Environmental Influences on Child Health Outcomes
Published: October 2024

ABSTRACTData integration of multiple studies can provide enhanced exposure contrast and statistical power to examine associations between environmental exposure mixtures and health outcomes. Extant research has combined populations and identified an overall mixture–outcome association, without accounting for differences across studies. We extended the Bayesian Weighted Quantile Sum (BWQS) regression to a hierarchical framework to analyze mixtures across cohorts. The hierarchical BWQS (HBWQS) approach aggregates sample size of multiple cohorts to calculate an overall mixture index, thereby identifying the most harmful exposure(s) across cohorts; and provides cohort‐specific associations between the overall mixture index and the outcome. We showed results from 10 simulated scenarios including four mixture components in three, eight, and ten populations, and two real‐case examples on the association between prenatal metal mixture exposure—comprising arsenic, cadmium, and lead—and both gestational age and epigenetic‐derived gestational age acceleration metrics. Simulated scenarios showed good empirical coverage and little bias for all HBWQS‐estimated parameters. The Watanabe–Akaike information criterion showed a better average performance for the HBWQS regression than the BWQS across scenarios. HBWQS results incorporating cohorts within the national Environmental influences on Child Health Outcomes (ECHO) program from three different sites showed that the environmental mixture was negatively associated with gestational age in a single site. The HBWQS approach facilitates the combination of multiple cohorts and accounts for individual cohort differences in mixture analyses. HBWQS findings can be used to develop regulations, policies, and interventions regarding multiple co‐occurring environmental exposures and it will maximize the use of extant publicly available data.
3‐Hydroxy‐2‐naphthohydrazide: A Commercially Available Compound for Fluorescence Sensing of Ortho‐Vanillin and Vanillin
Authors: Patel Dhvani A. , Bhardwaj Vinita , Jali Bigyan R. , Sahoo Suban K. 
Published: October 2024

ABSTRACTVanillin and ortho‐vanillin are the most important flavoring additives used in the food industry at a large scale. Herein, the aggregation‐induced emission (AIE) behavior of commercially available 3‐hydroxy‐2‐naphthohydrazide (3HN) was explored and applied for the detection of vanillin and ortho‐vanillin. The weakly fluorescent 3HN in DMSO showed fluorescence enhancement at 500 nm with the increase in HEPES or PBS buffer (pH 7.4) fractions in DMSO. The 3HN in DMSO containing 30% HEPES buffer is used as Probe 1 for the selective detection of ortho‐vanillin. Probe 1 showed a new fluorescence emission at 415 nm for ortho‐vanillin without altering the probe emission at 500 nm. With high specificity, Probe 1 can detect ortho‐vanillin down to 0.3 μM. In contrast, 3HN in DMSO containing 20% PBS buffer is used as Probe 2 for the selective turn‐off detection of vanillin. The green fluorescence emission of Probe 2 at 500 nm is selectively quenched by vanillin with a detection limit of 0.8 μM. Finally, the analytical novelty of the developed probes was examined by quantifying ortho‐vanillin and vanillin in spiked food samples with good recovery percentages.
Photo(Multicomponent) Reaction of Quinoxalin‐2(1H)‐ones with CBrCl3 and Styrenes by Mes‐Acr‐MeClO4
Authors: Pal Buddhadeb , Priyadarshinee Soumyashree , Mal Prasenjit 
Published: October 2024

AbstractIn this study, we explored the use of Mes‐Acr‐MeClO4 as a visible light photocatalyst for multicomponent reactions involving quinoxalin‐2(1H)‐ones with CBrCl3 and styrene. The method showcases regioselective functionalization of quinoxalin‐2(1H)‐ones in a three‐component system, forming two C─C bonds in one pot. Mechanistic investigations suggest a radical‐mediated pathway, initiated by the photoexcitation of Mes‐Acr‐MeClO4, followed by halogen atom abstraction from CBrCl3. This approach provides a versatile and sustainable route for quinoxalin‐2(1H)‐one functionalization, with Mes‐Acr‐MeClO4 effectively facilitating the photocatalyzed multicomponent reaction under mild conditions and visible light irradiation, yielding high selectivity and efficiency.
Lithium Doping Enhances the Aqueous Zinc Ion Storage Performance of V3O7 ⋅ H2O Nanorods
Authors: Hu Yingfang , Zhang Siwen , Ren Yujin , Ge Rongyuan , Shi Yaowen , Feng Xinyu , Li Hui , Jia Baohua , Yin Bosi , Ma Tianyi 
Published: October 2024

AbstractAqueous zinc‐ion batteries (AZIBs) offer significant advantages, including high safety, environmental protection and abundant zinc sources. V‐based layer‐like oxides are promising candidates as cathode materials for ZIBs; however, they face challenges such as low electrical conductivity, poor cycling stability, and limited Zn2+ storage capacity. In this study, Li‐V3O7 ⋅ H2O electrode materials were successfully synthesized using a hydrothermal method. The doping of lithium ions has led to a significant expansion of the interlayer spacing within the electrode structure, which enhances ion mobility and improves ion transport speed as well as charge‐discharge rates. Additionally, the increased spacing allows for the accommodation of more zinc ions, resulting in greater specific capacity and energy storage. More importantly, this modification reduces structural strain, minimizes the dissolution of vanadium‐based materials, and maintains electrode integrity over multiple cycles, thereby improving cycling stability. Consequently, the properties of V3O7 ⋅ H2O electrodes were substantially enhanced through lithium‐ion doping. The Li‐V3O7 ⋅ H2O cathode has a specific capacity of 411.8 mAh g−1 at low current and maintains 83 % of its capacity at 4.0 A g−1 for 4800 cycles, indicating a noteworthy improvement over pristine V3O7 ⋅ H2O. Exhibiting outstanding conductivity, discharge capacity, and cycling stability, it holds immense promise for future high‐performance energy storage.
Screening of Cation Exchange Membranes for an Anthraquinone‐Ferrocyanide Flow Battery
Authors: Söffker Lavrans F. , Turek Thomas , Kunz Ulrich , Arenas Luis F. 
Published: October 2024

AbstractThe disodium salt of 9,10‐anthraquinone‐2,7‐disulphonic acid (2,7‐AQDS) is an interesting platform for developing anthraquinone derivative negolytes for aqueous organic flow batteries. Recently, ammonium sulphate supporting electrolytes have been considered for improved stability and solubility. This work advances the 2,7‐AQDS/ferrocyanide flow battery with an ammonium sulphate supporting electrolyte (pH 5) by studying the suitability of six commercially available cation exchange membranes: E‐620, NR‐212, FS‐930, F‐1075‐PK, F‐1850 and N‐115. Cell cycling under galvanostatic regime plus potential hold was performed to determine coulombic efficiency, energy efficiency and accessible capacity for each membrane as well as capacity fade rate for three selected membranes under extended operation. Cell cycling under galvanostatic control only was carried out to observe transient membrane behavior alongside accessible capacity and apparent capacity fade rate. It was found that the capacity set by the limiting negolyte is consistent with 1.5 electrons per 2,7‐AQDS molecule and that energy efficiency shows a simple direct relationship to membrane thickness, with one exception. Meanwhile, four membranes displayed similar apparent capacity fade rates at this laboratory scale irrespective of their thickness, with capacity loss explained in terms of crossover. The best overall performance was attained by the thinnest membranes, E‐620 and NR‐212.
The influence of syn‐depositional compaction on clastic sediment distribution in river‐dominated deltas: A modelling study
Authors: Valencia A. A. , Storms J. E. A. , Jagers H. R. A. , van der Vegt H. 
Published: October 2024

AbstractSyn‐sedimentary compaction or consolidation is an important process in deltaic environments because it affects both the local morphodynamics and hydrodynamics as well as the delta‐scale accommodation space. However, the impact of syn‐depositional compaction on the sediment distribution and the interdependency between different delta areas related to the sediment budget are not fully understood. This paper simulates syn‐depositional compaction using improved 1D grain‐size compaction formulations, integrated into hydrodynamic and morphodynamic modelling software Delft3D. The updated code is used to model sedimentation in mud‐rich deltas under various compaction rate scenarios, which represents the maximum compaction rate potential of sediment that experiences the highest overburden stress in the delta. The simulated deltas are analysed by first classifying their plan‐view area development into depositional elements: distributary channel, underfilled channel, delta plain, mouth bar, delta front and pro delta depositional elements. Then, sedimentation by mass, accommodation space and depositional segment metrics are calculated using the interpreted depositional elements. The results for zero compaction rate scenarios (0 mm year−1) show that limited space‐varying and temporal‐varying accommodation is available to deposit sediment in the delta plain depositional element. Therefore, the sedimentation mainly occurs in the mouth bar depositional element. For low‐mid compaction rate scenarios (0.01–1 mm year−1), the additional syn‐depositional accommodation space in the delta plain depositional element increases sedimentation in this area, limiting sedimentation in the mouth bar depositional element. For high compaction rate scenarios (>1 mm year−1), a further increase in the accommodation space in the delta plain depositional element leads to lateral sedimentation attributed to channel relocation, where the sedimentation mainly occurs in the mouth bar depositional element. This study shows that, although considered a gradual process, syn‐sedimentary compaction does impact long‐term delta evolution by influencing the distribution of sedimentation in the delta.
Vericiguat Global Study in Participants with Chronic Heart Failure: Design of the VICTOR trial
Authors: Reddy Yogesh N.V. , Butler Javed , Anstrom Kevin J. , Blaustein Robert O. , Bonaca Marc P. , Corda Stefano , Ezekowitz Justin A. , Lam Carolyn S.P. , Lewis Eldrin F. , Lindenfeld JoAnn , McMullan Ciaran J. , Mentz Robert J. , O'Connor Christopher , Patel Mahesh , Ponikowski Piotr , Rosano Giuseppe M.C. , Saldarriaga Clara I. , Senni Michele , Udelson James , Voors Adriaan A. , Zannad Faiez 
Published: October 2024

AimsIn the VICTORIA (Vericiguat Global Study in Subjects with Heart Failure with Reduced Ejection Fraction) trial, the soluble guanylate cyclase stimulator vericiguat reduced the risk of hospitalization for heart failure (HHF) or cardiovascular death in patients with heart failure (HF) and reduced ejection fraction (HFrEF) with recent worsening HF. The effect of vericiguat in patients with HFrEF without recent worsening HF remains unknown. The VICTOR (Vericiguat Global Study in Participants with Chronic Heart Failure) trial was designed to assess the efficacy and safety of vericiguat in patients with ejection fraction ≤40% without recent worsening HF on a background of current foundational HFrEF therapy.MethodsThe primary endpoint for VICTOR is time to first event for the composite of HHF or cardiovascular death. The trial will also assess the effect of vericiguat on time to cardiovascular death, time to HHF, total HHF, and all‐cause death. As an event‐driven trial, at least 1080 primary events are expected, but follow‐up will continue until the targeted number of at least 590 cardiovascular deaths has been reached. Approximately 6000 participants will be randomized to vericiguat or placebo.ConclusionVICTOR is the first large event‐driven HFrEF trial performed in the contemporary era of quadruple foundational guideline‐directed medical therapy, in a compensated ambulatory HF population. VICTOR will add important information to the evidence of the effects of vericiguat across the spectrum of patients with HFrEF.
The transfer of double cleavage embryos developed from two four‐cell embryos may not represent an optimal treatment strategy in cycles with a greater number of four‐cell embryos on Day 2
Authors: Zhang Jun , Liu Shuang , Lan Yunzhu , Chen Shaowei , Wan Ying , Wang Fang 
Published: October 2024

AbstractObjectiveThis study examined the impact of the number of Day 2 four‐cell (D2‐4C) embryos on double embryo transfer and blastocyst culture therapy in the first in vitro fertilization (IVF) cycle.MethodsA retrospective review was performed on 1039 blastocyst culture cycles to compare outcomes between available and unavailable blastocyst cycles, emphasizing the relationship between the number of D2‐4C embryos and blastocyst availability. Furthermore, the correlation between four‐cell embryo counts and live births was analyzed in 986 transfer cycles.ResultsThe analysis revealed that the number of D2‐4C embryos independently influenced the availability of blastocysts (odds ratio [OR] 1.693, 95% confidence interval [CI] 1.306–2.195, P < 0.001). Receiver operating characteristic (ROC) analysis indicated that D2‐4C embryos displayed the highest predictive value for available blastocysts, with an area under the curve (AUC) of 0.861 (95% CI 0.826–0.896). The cut‐off point was determined to be 4.5, particularly for individuals younger than 25 years, where the AUC reached 0.927. This suggests that the number of D2‐4C embryos has significant predictive value for available blastocysts. The live birth rate (LBR) of fresh embryo transfers significantly increased with the number of D2‐4C embryos (P = 0.004). LBRs for zero, one, and two four‐cell embryos in double cleavage embryo transfer were 20.24%, 34.97%, and 38.08%, respectively (P = 0.005). In the twin group, the percentages for zero, one, and two four‐cell embryos were 1.21%, 9.75%, and 89.02%, respectively (P < 0.001). Single blastocyst transfer achieved an LBR comparable to that of two four‐cell embryos (34.8% vs 39.0%, P = 0.415), while the twin rate significantly decreased with single blastocyst transfer (25.17% vs 1.40%, P < 0.001).ConclusionThe number of D2‐4C embryos exhibits significant predictive value for available blastocysts, particularly among young women. Furthermore, most twins resulted from the transfer of double cleavage embryos derived from two four‐cell embryos. Consequently, when the D2‐4C count exceeds four in a cycle, blastocyst culture therapy is preferred over double cleavage‐stage embryo transfer.
The influence of smoking on the efficacy of a single‐dose methotrexate treatment for ectopic pregnancy
Authors: Dayan‐Schwartz Adi , Elgani Suzan Abd , Abdul‐Ghani Tamam , Zilberlicht Ariel , Kogan Liron , Reiss Ari , Tal Alon 
Published: October 2024

AbstractEctopic pregnancy (EP), which complicates 2% of all pregnancies, can be treated with either methotrexate (MTX) or surgery. While most cases can be managed with a single dose of MTX, the success rate has declined in recent years. One theoretical explanation for this decline might be related to smoking, as studies of patients with rheumatoid arthritis who smoke have demonstrated an inadequate response to MTX treatment. This study aims to identify risk factors for single‐dose MTX treatment failure, with a focus on smoking status. We conducted a retrospective cohort study of patients diagnosed with EP and treated with single‐dose MTX at a single institution between January 2001 and May 2021. The primary outcome was the incidence of failed MTX treatment, defined as the need for additional surgical intervention. Logistic regression was used to adjust the results and calculate the odds ratio (OR). The final analysis included 299 patients. Overall, 209 (69.9%) patients were treated successfully with a single dose of MTX, while 79 patients (26.4%) required further surgical intervention. A day 1 β‐hCG level >1500 mIU/mL and smoking were independently associated with MTX treatment failure, with an OR of 2.69 (95% confidence interval [CI] 1.41–5.13) and 2.58 (95% CI 1.16–5.75), respectively. Smoking and an initial β‐hCG level above 1500 mIU/mL might reduce the success rate of single‐dose MTX treatment for EP. Future studies should prospectively investigate alternative treatment protocols for patients with risk factors for medical treatment failure.