bluuebunny/crossref_metadata_2025_split huggingface dataset:
The interplay of community resilience potential, trust in the future and social well‐being
Authors: Rochira Alessia , Marinaci Tiziana , De Simone Evelyn , Mannarini Terri , Valentino Cosima , Ciavolino Enrico , Verbena Serena , Pasca Paola 
Published: September 2023

AbstractCommunity resilience (CR) has been mainly investigated as the ability of the community to respond to far‐reaching circumstances. Relatively less attention has been given to the understanding of CR as the ability of the community to deal with everyday problems, that is, community resilience potential (CRP). Using partial least squares path modelling, this study aims to elucidate how communities deal with issues that trouble their everyday functioning by investigating how this is related to social well‐being and trust in the future in a sample of 1278 subjects across 10 Italian communities with different population size and density. Results revealed that CRP was significantly associated with both social well‐being and trust in the future. Furthermore, in the more densely and heavily populated territorial communities, the link between CRP and social well‐being was stronger than in smaller and less dense communities. The findings suggested that social well‐being can be taken as a reliable community psychological resilient outcome. Moreover, CRP enables communities to respond positively to a wide range of phenomena, both large‐scale crises and everyday problems with variability across diverse contexts. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Multicomponent Synthesis Strategies, Catalytic Activities, and Potential Therapeutic Applications of Pyranocoumarins: A Comprehensive Review
Authors: M Jayalakshmi , Joy Francis , Nizam Aatika , Naidu Krishna Suresh Babu 
Published: September 2023

AbstractFused coumarins, because of their remarkable biological and therapeutic properties, particularly pyranocoumarins, have caught the interest of synthetic organic chemists, leading to the development of more efficient and environmentally friendly protocols for synthesizing pyranocoumarin derivatives. These compounds are the most promising heterocycles discovered in both natural and synthetic sources, with anti‐inflammatory, anti‐HIV, antitubercular, antihyperglycemic, and antibacterial properties. This review employed the leading scientific databases Scopus, Web of Science, Google Scholar, and PubMed up to the end of 2022, as well as the combining terms pyranocoumarins, synthesis, isolation, structural elucidation, and biological activity. Among the catalysts employed, acidic magnetic nanocatalysts, transition metal catalysts, and carbon‐based catalysts have all demonstrated improved reaction yields and facilitated reactions under milder conditions. Herein, the present review discusses the various multicomponent synthetic strategies for pyranocoumarins catalyzed by transition metal‐based catalysts, transition metal‐based nanocatalysts, transition metal‐free catalysts, carbon‐based nanocatalysts, and their potential pharmacological activities.
Anchoring (fullerol‐)Ru‐based‐complex onto TiO2 for Efficient Water Oxidation Catalysis
Authors: Wu Zhen‐Yi , Wang Wen‐Wen , Zhang Qian‐Xin , Wu Ni , Wu Ying , Tang Ding‐Liang 
Published: September 2023

AbstractRuthenium polypyridine complexes are the most effective catalysts for the water oxidation reaction (WOR), but the catalytic activity still has a large room for improvement. Herein, a fullerol‐based ruthenium complex was prepared by the covalent grafting of the polypyridyl ruthenium complex of water oxidation catalyst (WOC) with fullerol, and the (fullerol)‐Ru‐based WOCs anchored on the surface of nano‐TiO2 were prepared through a sensitization strategy. The synthesized heterogeneous nano‐catalysts are fully characterized by X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), infrared spectroscopy (IR), Brunauer–Emmett–Teller (BET) specific surface area and pore size distribution, and diffusion reflection ultraviolet‐visible spectrum (DRS). The chemical oxygen evolution experiments reveal that the WOR catalyzed by the catalyst is a first‐order reaction with respect to Ce (NH4)2(NO3)6 (denoted as CAN) concentration when using CAN as the sacrificial oxidant under acidic conditions. The anchoring of Ru‐based WOC to TiO2 result in a decrease in the redox potentials of RuIV/III couples, which decrease the barrier of the crucial O−O bond‐forming step, and the heterogeneous nano‐catalyst exhibit a high catalytic activity with a turnover frequency of 13.4 s−1 and more excellent stability with a 15‐min‐turn over number of 1054 for TiO2‐fullerol‐based ruthenium complex WOC.
Molecular Recognition Process in Resorcinarene‐based Coordination Capsules
Authors: Harada Kentaro , Sekiya Ryo , Haino Takeharu 
Published: September 2023

AbstractCu and Ag capsules can take up various organic molecules. Their molecular recognition possibly involves partial dissociation and slippage. We investigated molecular recognition processes in the Cu and Ag capsules by CD and 1H NMR spectroscopy and employed 4,4’‐diacetoxy biphenyl carrying two benzothiadiazole groups as a probe. CD and 1H NMR measurements reveal that the host‐guest complexation proceeds under second‐order reactions and that these capsules undergo the partial dissociation to take up the probe in [D1]chloroform and [D8]THF. The slippage also contributes to host‐guest complexation for a Cu capsule that carries p‐methoxyphenyl groups on the 2,2’‐bipyridiyl arms. DFT calculations suggest that π/π stacking interactions between the electron‐rich p‐methoxyphenyl group and the electron‐poor 2,2’‐bipyridyl arm elongate the capsule, allowing the guest to access the cavity without the partial dissociation.
Machine Learning‐Aided Data Analysis in Single‐Protein Conductance Measurement with Electron Tunneling Probes†
Authors: Yang Yuxin , Jiang Tao , Tian Ye , Zeng Biaofeng , Tang Longhua 
Published: September 2023

Comprehensive SummaryThe electrical tunneling sensors have excellent potential in the next generation of single‐molecule measurement and sequencing technologies due to their high sensitivity and spatial resolution capabilities. Electrical tunneling signals that have been measured at a high sampling rate may provide detailed molecular information. Despite the extraordinarily large amount of data that has been gathered, it is still difficult to correlate signal transformations with molecular processes, which creates great obstacles for signal analysis. Machine learning is an effective tool for data analysis that is currently gaining more significance. It has demonstrated promising results when used to analyze data from single‐molecule electrical measurements. In order to extract meaningful information from raw measurement data, we have combined intelligent machine learning with tunneling electrical signals. For the purpose of analyzing tunneling electrical signals, we investigated the clustering approach, which is a classic algorithm in machine learning. A clustering model was built that combines the advantages of hierarchical clustering and Gaussian mixture model clustering. Additionally, customized statistical algorithms were designed. It has been proven to efficiently gather molecular information and enhance the effectiveness of data analysis.
Photo‐Modulation of Gene‐Editing Enzymes CRISPR/Cas9 with Bifunctional Small‐Molecule Ligands†
Authors: Zhang Yidan , Zhang Yixin , Han Lili , Che Qiaoling , Tan Jiawei , Zou Peng , Chen Yiyun 
Published: September 2023

Comprehensive SummaryThe control of protein functions with light is valuable for spatiotemporal probing of biological systems. Current small‐molecule photo‐ modulation methods include the light‐induced uncaging of inhibitors and chromophore‐assisted light inactivation with reactive oxygen species (ROS). However, the constant target protein expression results in inadequate photo‐modulation efficiency, particularly for less potent inhibitors and chromophores. Herein, we report a novel bifunctional small‐molecule ligands strategy to photo‐modulate gene‐editing enzymes CRISPR/Cas9. A coumarin‐derived small‐molecule ligand Bhc‐BRD0539 is developed to uncage the active inhibitor upon light irradiation and to generate ROS in the Cas9 proximity for the dual inhibition of Cas9 activity. Our results highlight the synergistic photo‐modulation with bifunctional small‐molecule ligands, which offers a valuable addition to current CRISPR/Cas9 photo‐modulation technologies and may extend to other protein classes.
A predictive scoring model to select suitable patients for surgery on primary tumor in metastatic esophageal cancer
Authors: Wei Laiming , Xu Jing , Hu Xueyou , Xie Yu , Lyu Gang 
Published: September 2023

AbstractBackgroundSurgery on primary tumor (SPT) has been a common treatment strategy for many types of cancer.AimsThis study aimed to investigate whether SPT could be considered a treatment option for metastatic esophageal cancer and to identify the patient population that would benefit the most from SPT.MethodsData from 18 registration sites in the Surveillance, Epidemiology, and End Results Program database (SEER database) were analyzed to select patients with metastatic esophageal cancer. Multivariate Cox regression analysis was used to identify potential risk factors for pre‐treatment survival. Variables with a p‐value of less than 0.05 were used to construct a pre‐treatment nomogram. A pre‐surgery predictive model was then developed using the pre‐surgery factors to score patients, called the “pre‐surgery score”. The optimal cut‐off value for the “pre‐surgery score” was determined using X‐tile analysis, and patients were divided into high‐risk and low‐risk subsets. It was hypothesized that patients with a low “pre‐surgery score” risk would benefit the most from SPT.ResultsA total of 3793 patients were included in the analysis. SPT was found to be an independent risk factor for the survival of metastatic esophageal cancer patients. Subgroup analyses showed that patients with liver or lung metastases derived more benefit from SPT compared to those with bone or brain metastases. A pre‐treatment predictive model was constructed to estimate the survival rates at one, two, and three years, which showed good accuracy (C‐index: 0.705 for the training set and 0.701 for the validation set). Patients with a “pre‐surgery score” below 4.9 were considered to have a low mortality risk and benefitted from SPT (SPT vs. non‐surgery: median overall survival (OS): 24 months vs. 4 months, HR = 0.386, 95% CI: 0.303–0.491, p < 0.001).ConclusionThis study demonstrated that SPT could improve the OS of patients with metastatic esophageal cancer. The pre‐treatment scoring model developed in this study might be useful in identifying suitable candidates for SPT. The strengths of this study include the large patient sample size and rigorous statistical analyses. However, limitations should be noted due to the retrospective study design, and prospective studies are needed to validate the findings in the future.
Missed opportunities in the diagnosis of heart failure: a real‐world assessment
Authors: Ferreira João Pedro , Taveira‐Gomes Tiago , Canelas‐Pais Mariana , Phan Phillip , Bernardo Filipa , Andersson Sundell Karolina , Almeida Mário , Martinho Hugo , Gavina Cristina 
Published: September 2023

AbstractAimsHeart failure (HF) is a leading cause of hospitalization worldwide. An early HF diagnosis is key to reducing hospitalizations. We used electronic health records (EHRs) to characterize HF pathways at the primary care physician (PCP) level prior to a first HF hospitalization (hHF). This study aimed to identify missed opportunities for HF diagnosis and management at the PCP level before a first hHF.Methods and resultsThis cohort study used EHRs of a large health care organization in Portugal. Patients with incident hHF between 2017 and 2020 were identified. Missed opportunities were defined by the absence of any of the following work‐up in the 6 months after signs or symptoms had been recorded: lab results and electrocardiogram, natriuretic peptides, echocardiogram, referral to HF specialist, or HF medication initiation. A total of 2436 patients with a first hHF were identified. The median (interquartile range) age at the time of hospitalization was 81 (14) years, and 1361 (56%) were women. Most patients were treated with cardiovascular drugs prior or at index event. A total of 720 (30%) patients had records of HF signs or symptoms, 94% (n = 674) within 6 months prior to hHF. Among patients with recorded HF signs or symptoms, 410 (57%) had clinical management considered adequate before signs and symptoms were recorded. Of the 310 remaining patients, 155 (50%) had a follow‐up that was considered inadequate.ConclusionsRelatively few patients with a first hHF had primary care records of signs or symptoms prior to admission. Of these, nearly half had inadequate management considering diagnosis and treatment. These data suggest the need to improve PCP HF awareness.
Genotoxicity assessment in HepaRG™ cells as a new approach methodology follow up to a positive response in the human TK6 cell micronucleus assay: Naphthalene case study
Authors: Recio Leslie , Fowler Jasmine , Martin Lincoln , Swartz Carol 
Published: September 2023

AbstractWe are evaluating the use of metabolically competent HepaRG™ cells combined with CometChip® for DNA damage and the micronucleus (MN) assay as a New Approach Methodology (NAM) alternative to animals for follow up genotoxicity assessment to in vitro positive genotoxic response. Naphthalene is genotoxic in human TK6 cells inducing a nonlinear dose–response for the induction of micronuclei in the presence of rat liver S9. of naphthalene. In HepaRG™ cells, naphthalene genotoxicity was assessed using either 6 (CometChip™) or 12 concentrations of naphthalene (MN assay) with the top dose used for assessment of genotoxicity for the Comet and MN assay was 1.25 and 1.74 mM respectively, corresponding to approximately 45% cell survival. In contrast to human TK6 cell with S9, naphthalene was not genotoxic in either the HepaRG™ MN assay or the Comet assay using CometChip®. The lack of genotoxicity in both the MN and comet assays in HepaRG™ cells is likely due to Phase II enzymes removing phenols preventing further bioactivation to quinones and efficient detoxication of naphthalene quinones or epoxides by glutathione conjugation. In contrast to CYP450 mediated metabolism, these Phase II enzymes are inactive in rat liver S9 due to lack of appropriate cofactors causing a positive genotoxic response. Rat liver S9‐derived BMD10 over‐predicts naphthalene genotoxicity when compared to the negative genotoxic response observed in HepaRG™ cells. Metabolically competent hepatocyte models like HepaRG™ cells should be considered as human‐relevant NAMs for use genotoxicity assessments to reduce reliance on rodents.
Estimation of change with partially overlapping and spatially balanced samples
Authors: Zhao Xin , Grafström Anton 
Published: September 2023

AbstractSpatially balanced samples are samples that are well‐spread in some available auxiliary variables. Selecting such samples has been proven to be very efficient in estimation of the current state (total or mean) of target variables related to the auxiliary variables. As time goes, or when new auxiliary variables become available, such samples need to be updated to stay well‐spread and produce good estimates of the current state. In such an update, we want to keep some overlap between successive samples to improve the estimation of change. With this approach, we end up with partially overlapping and spatially balanced samples. To estimate the variance of an estimator of change, we need to be able to estimate the covariance between successive estimators of the current state. We introduce an approximate estimator of such covariance based on local means. By simulation studies, we show that the proposed estimator can reduce the bias compared to a commonly used estimator. Also, the new estimator tends to become less biased when reducing the local neighborhood size.
Scalp high‐frequency oscillations differentiate neonates with seizures from healthy neonates
Authors: Cserpan Dorottya , Guidi Greta , Alessandri Beatrice , Fedele Tommaso , Rüegger Andrea , Pisani Francesco , Sarnthein Johannes , Ramantani Georgia 
Published: September 2023

AbstractObjectiveWe aimed to investigate (1) whether an automated detector can capture scalp high‐frequency oscillations (HFO) in neonates and (2) whether scalp HFO rates can differentiate neonates with seizures from healthy neonates.MethodsWe considered 20 neonates with EEG‐confirmed seizures and four healthy neonates. We applied a previously validated automated HFO detector to determine scalp HFO rates in quiet sleep.ResultsEtiology in neonates with seizures included hypoxic‐ischemic encephalopathy in 11 cases, structural vascular lesions in 6, and genetic causes in 3. The HFO rates were significantly higher in neonates with seizures (0.098 ± 0.091 HFO/min) than in healthy neonates (0.038 ± 0.025 HFO/min; P = 0.02) with a Hedge's g value of 0.68 indicating a medium effect size. The HFO rate of 0.1 HFO/min/ch yielded the highest Youden index in discriminating neonates with seizures from healthy neonates. In neonates with seizures, etiology, status epilepticus, EEG background activity, and seizure patterns did not significantly impact HFO rates.SignificanceNeonatal scalp HFO can be detected automatically and differentiate neonates with seizures from healthy neonates. Our observations have significant implications for neuromonitoring in neonates. This is the first step in establishing neonatal HFO as a biomarker for neonatal seizures.
Empirical dietary inflammatory index and lifestyle inflammation score relationship with obesity: A population‐based cross‐sectional study
Authors: Saber Niloufar , Hosseinzadeh Mahdieh , Shab‐Bidar Sakineh , Mirzaei Masoud , Najarzadeh Azadeh , Rahideh Seyedeh Tayebeh 
Published: September 2023

AbstractThe present study aimed to investigate the association between the empirical dietary inflammatory index (EDII) and lifestyle inflammatory score (LIS) with general and abdominal obesity in Iranian adults using data from the Yazd Health study (YaHS). This cross‐sectional study was conducted using the information of participants of the YaHS study. The dietary assessment was conducted using a validated food frequency questionnaire (FFQ) and anthropometric measurements assessed by standard protocols. The inflammatory potential of diet and lifestyle were calculated using EDII and LIS scores. We also created a combinational index of EDII and LIS as an EDII‐LIS score. General and abdominal obesity were defined based on body mass index (BMI), waist circumference (WC), and waist‐to‐hip ratio (WHR) cut points, respectively. The odds ratio (OR) and 95% confidence interval (CI) of general and abdominal obesity across tertiles of EDII and LIS were estimated using logistic regression analyses, adjusted for potential confounders. A significant association was found between a higher EDII score and general obesity (OR: 1.21, 95% CI: 1.04–1.41, p trend: .016), however, there was no significant association between EDII and both definitions of abdominal obesity. Participants in the highest versus lowest tertile of LIS had higher odds of increased abdominal obesity (ORWC: 37.0, 95% CI: 28.8–47.5, p trend <.001, ORWHR: 3.30, 95% CI: 2.65–4.11, p trend <.001). In addition, there was also a direct relationship between the higher score of EDII‐LIS and the increased likelihood of abdominal obesity (ORWC: 15.0, 95% CI: 12.3–18.3, p trend <.001, ORWHR: 2.68, 95% CI: 2.18–3.29, p trend <.001). Greater adherence to the EDII score was associated with a higher odds of general obesity, but not abdominal obesity. Also, individuals with a higher score of LIS and EDII‐LIS are more prone to abdominal obesity.
Immobilized Rose Bengal as Photocatalyst for Metal‐Free Thiocyanation of Azaheterocycles under Continuous Flow Conditions
Authors: Colombo Eleonora , Fiorenza Boselli Monica , Raimondi Laura , Puglisi Alessandra , Rossi Sergio 
Published: September 2023

AbstractThe immobilization of Rose Bengal onto Merrifield resin and its application in the light‐driven metal‐free thiocyanation of azaheterocycles in continuo were investigated. The supported photocatalyst was used in batch reactions under heterogeneous conditions, with different azaheterocycles, and proved to efficiently promote the reaction. Its recovery and recycle were also demonstrated for up to four times. The resin‐supported Rose Bengal was then employed under continuous flow conditions, affording thiocyanate functionalized azaheterocycles with higher space‐time‐yields than the in‐batch transformations, and in a shorter reaction time. The easily modification of the SCN groups was also demonstrated by synthetizing trifluoromethyl thioethers and sulfenyl tetrazoles derivates in high yields.
Googling long‐acting reversible contraception: A scoping review examining the information available online about intrauterine devices and contraceptive implants
Authors: Caddy Cassandra , Coombe Jacqueline 
Published: September 2023

AbstractIssue AddressedThe internet is an important source of health information, however, the quality of information about long‐acting reversible contraception (LARC, including intrauterine devices (IUDs) and contraceptive implants) found online is largely unknown.MethodsA scoping review of webpages returned in a Google search was conducted. The first three pages of results were included if they were written in English and contained information about LARC. Results were critically reviewed and assessed using the DISCERN quality of health information tool.ResultsOf 778 results, 306 pages met the eligibility criteria. While most webpages provided key information about LARC, including location in the body, benefits, side effects and risks, the information provided varied considerably. Only half mentioned efficacy and many webpages did not provide information about the cost of insertion and removal, how and where to access the devices or how they work. Despite side effects being mentioned in more than three‐quarters of webpages, the depth and specificity of these varied considerably and were often contradictory across different webpages.ConclusionsMost webpages provided medically accurate information to consumers; however, many did not include key information such as cost or how they work. Descriptions of side effects varied between webpages, and this may inhibit informed decision‐making.So What?Most people make decisions about what contraceptive method they might like to use before visiting a health care provider, and most will get this information from the internet. Providing comprehensive, medically accurate and consistent information about both IUDs and contraceptive implants is vital to support informed decision‐making.