bluuebunny/crossref_metadata_2025_split huggingface dataset:
Venlafaxine exposure alters mitochondrial respiration and mitomiR abundance in zebrafish brains
Authors: Robichaud Karyn , Bragg Leslie M. , Servos Mark R. , Craig Paul M. 
Published: May 2024

Abstract
Wastewater treatment plant (WWTP) effluent often releases pharmaceuticals like venlafaxine (a serotonin–norephinephrine reuptake inhibitor antidepressant) to freshwater ecosystems at levels causing adverse metabolic effects on fish. Changes to fish metabolism can be regulated by epigenetic mechanisms like microRNA (small RNA molecules that regulate mRNA translation), including regulating mitochondrial mRNAs. Nuclear-encoded microRNAs regulate mitochondrial gene expression in mammals, and have predicted effects in fish. We aimed to identify whether venlafaxine exposure changed mitochondrial respiration and resulted in differentially abundant mitochondrial microRNA (mitomiRs) in zebrafish brains. In vitro exposure of brain homogenate to below environmentally relevant concentrations of venlafaxine (&lt;1 µg/L) caused a decrease in mitochondrial respiration, although this was not driven by changes to mitochondrial Complex I or II function. To identify whether these effects occur in vivo, zebrafish were exposed to 1 µg/L venlafaxine for 0, 1, 6, 12, 24, and 96 h. In vivo, venlafaxine exposure had no significant effects on brain mitochondrial respiration; however, select mitomiRs (dre-miR-301a-5p, dre-miR-301b-3p, and dre-miR-301c-3p) were also measured, because they were bioinformatically predicted to regulate mitochondrial cytochrome c oxidase subunit I (COI) abundance. These mitomiRs were differentially regulated based on venlafaxine exposure (with miR-301c-3p abundance differing during the day and miR-301b-3p being lower in exposed fish at night), and with respect to sex and time sampled. Overall, the results demonstrated that in vitro venlafaxine exposure to zebrafish brain caused a decrease in mitochondrial respiration, but these effects were not seen after acute in vivo exposure. Results may have differed because in vivo exposure allows for fish to mitigate effects through mechanisms that could include mitomiR regulation, and because fish were only acutely exposed. Environ Toxicol Chem 2024;43:1569–1582. © 2024 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Refinement of flavour substance intake estimates using probability of addition: A proposed method based on sales data
Authors: Vilone Giulia , Hickey Christina , Slickers Natalie , O'Brien John , Smith Benjamin 
Published: May 2024

AbstractMost dietary intake estimates used in the regulatory risk assessment of flavouring substances assume that the flavouring substance is present in all foods at a given concentration. They do not account for the use of alternate flavouring substances for the same taste modality, nor do they consider the use of differing concentrations within a particular food category. This highly conservative assumption leads to an over‐estimation of exposure. To refine this assumption in exposure models, the probability of addition can be utilised. In this study, a methodology to estimate the probability of addition was developed, using the volume of a flavouring substance sold for flavours created for a particular food category against its total volume sold for all flavouring use. The method was trialled, as a proof of principle, using historical data sets of two test flavouring substances, benzaldehyde (a large volume/use material) and bornyl acetate (a low volume/use material), and the impact on dietary exposure assessment was assessed. The resulting exposure estimates for both flavouring substances were shown to be significantly lower than those without the incorporation of probability of addition, demonstrating that current methods are overly conservative and that the use of probability of addition provides a more realistic estimate of exposure of flavouring substances present in foods.
Beyond borders: A cross‐cultural analysis of consumption and purchase behaviour of sweeteners in yoghurts
Authors: Chadha Diksha , Hamid Nazimah , Poulain Nolwenn , Kantono Kevin , Janani R. , Teo Pey Sze 
Published: May 2024

AbstractThe study explored the sociocultural influences on sugar consumption in three distinct countries: New Zealand, France, and Singapore. It employed the theory of planned behavior (TPB) alongside consumer perception and acceptance factors, such as sugar consciousness, product labeling, sugar substitution with sweeteners, and perceived flavor, to investigate participants’ behaviors regarding various yogurt types. Data was gathered through web surveys in each country, analyzed through partial least squares (PLS)–confirmatory factor analysis to create country‐specific conceptual frameworks, and then validated using PLS‐path modeling to assess the correlations between TPB and consumer perception constructs. The results indicated that perceived behavioral control positively influenced intentions to reduce sugar intake in participants from New Zealand and Singapore. Sugar consciousness exhibited a positive correlation with behavioral intentions across all three countries, suggesting heightened awareness of sugar intake motivates individuals to cut back. Notably, the presence of labels and claims showed negative correlation with perceived flavor, among the participants from New Zealand and France, suggesting that food researchers must navigate a delicate balance between labels and flavor to successfully design and market sugar‐reduced products. Further analysis, PLS‐multigroup analysis revealed significant difference in the impact of subjective norms on attitude between participants from different countries. Singaporeans placed stronger value on others’ approval for consuming less sugar‐sweetened yogurt, whereas French and New Zealand participants had a more neutral stance. This study's novelty lies in its comprehensive exploration of sociocultural factors, integration of TPB with consumer perception constructs, and tailoring of analysis to each country's cultural context, thereby enhancing our understanding of multicultural sugar consumption patterns.
Determining sugar and molasses origin by non‐exchangeable hydrogen stable isotope of ethanol and carbon isotope ratio mass spectrometry
Authors: Rojas‐Rioseco Macarena , Fakhar Hafiz Imran , Smajlovic Ivan , Smajlovic Margarita , Grkavac Stevan , Oztop Mecit Halil , Hayat Muhammad Qasim , Castillo Rosario del P. 
Published: May 2024

AbstractThis study explores the differentiation of sugar and molasses produced from sugar beet and cane, which are susceptible to fraudulent labeling due to differing production costs. The research aimed to authenticate these products by botanical origin using novel analytical techniques. Utilizing ethanol isotopic measurement–isotope ratio mass spectrometry (IRMS) for non‐exchangeable hydrogen stable isotopes alongside carbon stable isotopes analysis through elemental analyzer–IRMS, the study accurately identified the origin of various sugar and molasses samples, pinpointed mislabeled goods, and determined the source of products with previously unknown provenance. These methods were also effective in revealing sugar and molasses adulteration and quantifying the extent of such fraud. The combined isotope analyses demonstrated their potential as robust tools for combating misrepresentation and adulteration in the sugar industry.
Hull form optimization research based on multi‐precision back‐propagation neural network approximation model
Authors: Liu Jie , Zhang Baoji , Lai Yuyang , Fang Liqiao 
Published: May 2024

AbstractIn order to shorten the optimization cycle of ship design optimization and solve the time‐consuming problem of computational fluid dynamics (CFD) numerical calculation, this paper proposes a multi‐precision back‐propagation neural network (MP‐BP) approximation technology. Fewer high‐precision ship samples and more low‐precision ship samples were used to construct an approximate model, back‐propagation (BP) neural network was used to train multi‐precision samples. So that the approximate model is as close as possible to the real model, and achieving the effect of high‐precision approximation model. Subsequently, numerical verification and typical hull form verification are given. Based on CFD and Rankine theory, the multi‐objective design optimization framework for ship comprehensive navigation performance is constructed. The multi‐objective approximation model of KCS ship is constructed by MP‐BP approximation technology, and optimized by particle swarm optimization (PSO) algorithm. The results show that the multi‐objective optimization design framework using the MP‐BP approximation model can capture the global optimal solution and improve the efficiency of the entire hull form design optimization. It can provide a certain degree of technical support for green ship and low‐carbon shipping.
Post‐diagnosis physical activity and sedentary behaviour and colorectal cancer prognosis: A Global Cancer Update Programme (CUP Global) systematic literature review and meta‐analysis
Authors: Markozannes Georgios , Becerra‐Tomás Nerea , Cariolou Margarita , Balducci Katia , Vieira Rita , Kiss Sonia , Aune Dagfinn , Greenwood Darren C. , Gunter Marc J. , Copson Ellen , Renehan Andrew G. , Bours Martijn , Demark‐Wahnefried Wendy , Hudson Melissa M. , May Anne M. , Odedina Folakemi T. , Skinner Roderick , Steindorf Karen , Tjønneland Anne , Velikova Galina , Baskin Monica L. , Chowdhury Rajiv , Hill Lynette , Lewis Sarah J. , Seidell Jaap , Weijenberg Matty P. , Krebs John , Cross Amanda J. , Tsilidis Konstantinos K. , Chan Doris S. M. 
Published: May 2024

AbstractLow physical activity and high sedentary behaviour have been clearly linked with colorectal cancer development, yet data on their potential role in colorectal cancer survival is limited. Better characterisation of these relationships is needed for the development of post‐diagnosis physical activity and sedentary behaviour guidance for colorectal cancer survivors. We searched PubMed and Embase through 28 February 2022 for studies assessing post‐diagnosis physical activity, and/or sedentary behaviour in relation to all‐cause and cause‐specific mortality and recurrence after colorectal cancer diagnosis. Total and recreational physical activity were assessed overall and by frequency, duration, intensity, and volume using categorical, linear, and non‐linear dose–response random‐effects meta‐analyses. The Global Cancer Update Programme (CUP Global) independent Expert Committee on Cancer Survivorship and Expert Panel interpreted and graded the likelihood of causality. We identified 16 observational studies on 82,220 non‐overlapping patients from six countries. Physical activity was consistently inversely associated with colorectal cancer morbidity and mortality outcomes, with 13%–60% estimated reductions in risk. Sedentary behaviour was positively associated with all‐cause mortality. The evidence had methodological limitations including potential confounding, selection bias and reverse causation, coupled with a limited number of studies for most associations. The CUP Global Expert panel concluded limited‐suggestive evidence for recreational physical activity with all‐cause mortality and cancer recurrence. Total physical activity and its specific domains and dimensions, and sedentary behaviour were all graded as limited‐no conclusion for all outcomes. Future research should focus on randomised trials, while observational studies should obtain objective and repeated physical activity measures and better adjustment for confounders.
Asymptomatic endometrial cancer with Lynch syndrome; in a woman with primary infertility—A case report and literature review
Authors: Noah Nancy , Gilani Misha , Kumar Ranitha 
Published: May 2024

AbstractLynch syndrome, also called hereditary non‐polyposis colorectal cancer, is an autosomal dominant disorder characterized by germline pathogenic mutations in DNA mismatch repair genes—resulting in increased susceptibility to colorectal, endometrial, and other tumors. This case report presents an incidental finding of endometrial cancer with Lynch syndrome during investigation for primary infertility. A 34‐year‐old woman presented to the fertility clinic with unexplained primary infertility. Investigations showed possible endometrial polyp, 13 × 11 mm in size. Hysteroscopic polypectomy and endometrial biopsy revealed complex endometrial hyperplasia amounting to endometroid adenocarcinoma. The case was discussed at the West of Scotland Gynecology‐Oncology MDT meeting—management options including fertility‐sparing treatment or radical surgery were presented to the patient and she opted for the latter. A total laparoscopic hysterectomy with bilateral salpingo‐oophorectomy was performed with pathology results consistent with well‐differentiated endometroid adenocarcinoma Stage 1A. Peritoneal washings showed no malignant cells. Genetic testing confirmed a diagnosis of Lynch syndrome. On further questioning, it was revealed that the patient had a strong family history of colon cancer but had not previously met the criteria for genetic testing. She was referred to colorectal surgeons and underwent colonoscopy. This showed no abnormality; she was therefore scheduled for 2‐yearly colonoscopic surveillance.
Systematic improvement of empirical energy functions in the era of machine learning
Authors: Devereux Mike , Boittier Eric D. , Meuwly Markus 
Published: May 2024

AbstractThe impact of targeted replacement of individual terms in empirical force fields is quantitatively assessed for pure water, dichloromethane (CHCl), and solvated K and Cl ions. For the electrostatic interactions, point charges (PCs) and machine learning (ML)‐based minimally distributed charges (MDCM) fitted to the molecular electrostatic potential are evaluated together with electrostatics based on the Coulomb integral. The impact of explicitly including second‐order terms is investigated by adding a fragment molecular orbital (FMO)‐derived polarization energy to an existing force field, in this case CHARMM. It is demonstrated that anisotropic electrostatics reduce the RMSE for water (by 1.4 kcal/mol), CHCl (by 0.8 kcal/mol) and for solvated Cl clusters (by 0.4 kcal/mol). An additional polarization term can be neglected for CHCl but further improves the models for pure water (by 1.0 kcal/mol) and hydrated Cl (by 0.4 kcal/mol), and is key for solvated K, reducing the RMSE by 2.3 kcal/mol. A 12‐6 Lennard‐Jones functional form performs satisfactorily with PC and MDCM electrostatics, but is not appropriate for descriptions that account for the electrostatic penetration energy. The importance of many‐body contributions is assessed by comparing a strictly 2‐body approach with self‐consistent reference data. Two‐body interactions suffice for CHCl whereas water and solvated K and Cl ions require explicit many‐body corrections. Finally, a many‐body‐corrected dimer potential energy surface exceeds the accuracy attained using a conventional empirical force field, potentially reaching that of an FMO calculation. The present work systematically quantifies which terms improve the performance of an existing force field and what reference data to use for parametrizing these terms in a tractable fashion for ML fitting of pure and heterogeneous systems.
Quaternary branched polyethylenimine‐based nanocomposite for removal of NO3− ions from aqueous solutions
Authors: Khademian Maryam , Sarrafi Yaghoub , Tajbakhsh Mahmood , Hasantabar Vahid 
Published: May 2024

AbstractThis study synthesized a nanocomposite based on quaternary branched polyethyleneimine containing sodium alginate and graphene oxide and characterized by FE‐SEM, EDX‐MAP, XRD, FT‐IR, and TGA and used as an efficient sorbent for the removal of nitrate ions. The maximum ion exchange in optimized conditions was discovered to be 75%. The experimental studies showed that nitrate removal follows the pseudo‐first‐order model due to more consonance. Also, Weber–Morris and Boyd models suggested that the nitrate ions adsorption on the surface of nanocomposite is not controlled only by the intraparticle diffusion step. Moreover, Langmuir, Redlich–Peterson, and Hill models exhibited high regression coefficients of 0.991, 0.993, and 0.992, respectively. Thermodynamic studies confirmed the adsorption system was spontaneous and exothermic. Recovery assay showed that more than 98% of the nitrate ion exchanged by the nanocomposite was regenerated and nanocomposite could be reused seven cycles without efficacy reducing significantly. The nanocomposite showed excellent antibacterial activity against Staphylococcus aureus and Escherichia coli cells, with minimum inhibitory concentrations of 62.5 and 125 μg mL−1, and zone of growth inhibition of 17.5 ± 0.5 and 10.5 ± 0.5 mm, respectively. The results represented that the introduced nanocomposite is a useful material for the removal of nitrate ions from aqueous solution and has antibacterial properties.
Disorders of fatty acid homeostasis
Authors: Vaz Frédéric M. , Ferdinandusse Sacha , Salomons Gajja S. , Wanders Ronald J. A. 
Published: May 2024

AbstractHumans derive fatty acids (FA) from exogenous dietary sources and/or endogenous synthesis from acetyl‐CoA, although some FA are solely derived from exogenous sources (“essential FA”). Once inside cells, FA may undergo a wide variety of different modifications, which include their activation to their corresponding CoA ester, the introduction of double bonds, the 2‐ and ω‐hydroxylation and chain elongation, thereby generating a cellular FA pool which can be used for the synthesis of more complex lipids. The biological properties of complex lipids are very much determined by their molecular composition in terms of the FA incorporated into these lipid species. This immediately explains the existence of a range of genetic diseases in man, often with severe clinical consequences caused by variants in one of the many genes coding for enzymes responsible for these FA modifications. It is the purpose of this review to describe the current state of knowledge about FA homeostasis and the genetic diseases involved. This includes the disorders of FA activation, desaturation, 2‐ and ω‐hydroxylation, and chain elongation, but also the disorders of FA breakdown, including disorders of peroxisomal and mitochondrial α‐ and β‐oxidation.
Drugs targeting CMPK2 inhibit pyroptosis to alleviate severe pneumonia caused by multiple respiratory viruses
Authors: Tang Zhongxiang , Mao Yu , Ruan Pinglang , Li Jiani , Qiu Xiangjie , Meng Yuting , Wang Mengyu , Wu Guojun , Wang Lili , Tan Yurong 
Published: May 2024

AbstractSevere pneumonia caused by respiratory viruses has become a major threat to humans, especially with the SARS‐CoV‐2 outbreak and epidemic. The aim of this study was to investigate the universal molecular mechanism of severe pneumonia induced by multiple respiratory viruses and to search for therapeutic strategies targeting this universal molecular mechanism. The common differential genes of four respiratory viruses, including respiratory syncytial virus (RSV), rhinovirus, influenza, and SARS‐CoV‐2, were screened by GEO database, and the hub gene was obtained by Sytohubba in Cytoscape. Then, the effect of hub genes on inflammasome and pyrodeath was investigated in the model of RSV infection in vitro and in vivo. Finally, through virtual screening, drugs targeting the hub gene were obtained, which could alleviate severe viral pneumonia in vitro and in vivo. The results showed that CMPK2 is one of the hub genes after infection by four respiratory viruses. CMPK2 activates the inflammasome by activating NLRP3, and promotes the releases of inflammatory factors interleukin (IL)‐1β and IL‐18 to induce severe viral pneumonia. Z25 and Z08 can reduce the expression level of CMPK2 mRNA and protein, thereby inhibiting NLRP3 and alleviating the development of severe viral pneumonia. In conclusion, the inflammatory response mediated by CMPK2 is the common molecular mechanism of severe pneumonia induced by viral infection, and Z25 and Z08 can effectively alleviate viral infection and severe pneumonia through this mechanism.
Physician workload and practice management in pediatric gastroenterology
Authors: Chien Kimberley A. , Thomas Charlene , Cooley Victoria , Weinstein Toba , Murray Karen F. , Muir Linda , Hayes Christopher , Gold Benjamin D. , Gerber Linda M. , Tomer Gitit , Sauer Cary G. 
Published: May 2024

AbstractObjectivesThe pediatric gastroenterology workforce has grown in the last few decades. The North American Society of Pediatric Gastroenterology, Hepatology and Nutrition (NASPGHAN) formed a task force to understand current pediatric gastroenterology organizations' practice structures.Methods19‐item electronic survey was distributed to NASPGHAN members who were clinical or academic division directors.Results30% responded to the survey, all directors of academic practices. The median number of clinical sessions per week was seven sessions, and the median individual work relative value unit (wRVU) target for practices was 4000−4500. Healthcare team ratios compared to provider clinical full‐time equivalent were reported as the following: Nursing 0.80, medical assistant (MA) 0.29, dietitian 0.29, social worker 0.14, and psychologist 0.13. Regarding compensation, 68.0% were salaried with bonus based on billing or director decision, 28.0% were salaried with no incentive pay, and 4.0% were salaried with a portion at risk if the target was not met, and a bonus was given if the target was met. Most practices participated in a wellness activity with the most common strategies being didactic lectures about physician burnout (80%), annual burnout check‐ins (68%), and/or after‐hours social activities (60%).ConclusionsPediatric gastroenterology practices vary regarding clinical sessions per week and annual wRVU targets with the median at seven sessions per week and an annual goal of 4000−4500 wRVUs, similar to reported national benchmark goals at the 50th percentile. Healthcare teams, including nursing, MAs, dietitians, social workers, and psychologists, had similar ratios of staff to providers for all sizes and types of practices. Most practices are engaging in wellness initiatives.