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Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy

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Journal of Energy Chemistry 2022年第1期31卷 520-530,I0014页

作者： rosa Arrigo Takeo Sasaki June Callison Diego Gianolio Manfred Erwin Schuster School of Science Engineering and EnvironmentUniversity of SalfordManchester M54WTUK Diamond Light Source Harwell Science and Innovation CampusDidcot 0X1/ODEUK JEOL UK Ltd.JEOL House 1-2 Silver CourtWatchmeadWelwyn Garden CityHerts AL71LTUK Department of Chemistry University College London20 Gordon StreetLondon WC1H OAJUK UK Catalysis Hub Research Complex at Harwell(RCaH)Rutherford Appleton LaboratoryHarwell Oxon 0X11 OFAUK Johnson Matthey Technology Centre Reading RG49NH.UK

In this study,we aim to contribute an understanding of the pathway of formation of Fe species during top-down synthesis of dispersed Fe on N-functionalized few layer graphene,widely used in *** use X-ray absorption spectroscopy to determine the electronic structure and coordination geometry of the Fe species and in situ high angle annular dark field scanning transmission electron microscopy combined with atomic resolved electron energy loss spectroscopy to localize these,identify their chemical configuration and monitor their dynamics during thermal *** show the high mobility of peripheral Fe atoms,first diffusing rapidly at the trims of the graphene layers and at temperatures as high as 573 K,diffusing from the edge planes towards in-plane locations of the graphene layers forming three-,four-coordinated metal sites and more complexes polynuclear Fe *** process occurs via bond C-C breaking which partially reduces the extension of the graphene ***,the vast majority of Fe is segregated as a metal *** dynamic interconversion depends on the structural details of the surrounding graphitic environment in which these are formed as well as the Fe loading.N species appear stabilizing isolated and polynuclear Fe species even at temperatures as high as 873 *** significance of our results lies on the fact that single Fe atoms in graphene are highly mobile and therefore a structural description of the electroactive sites as such is insufficient and more complex species might be more relevant,especially in the case of multielectron transfer *** we provide the experimental evidence of the formation of these polynuclear Fe-N sites and their structural characteristics.

关键词： HAADF-STEM Single Fe atom sites N-doped Few-layer graphene Dinuclear Fe species

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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 Methyltransferase Inhibitors by Molecular Docking

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Journal of Biosciences and Medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa Maria Leonisa Sanchez-Nuñez Aldenise Mont Serrat rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa Amorim Leonardo Alves Miceli Percilene Fazolin Vegi Alice Bernardino Helena Carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μM) and the highest selectivity (SI = 342). Mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. Molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 Methyltransferase Antivirals

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Clinical and Demographic Profile of Women with Uterine Fibroids Living in Puerto Rico

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Open Journal of Obstetrics and Gynecology 2024年第9期14卷 1347-1362页

作者： Edwin Y. Soto-Velázquez Alexander J. Jaramillo-Cañas Shania N. Aponte-Paris Gabriela V. Martínez-Marrero Irazu S. Guinan Gabrielle A. Rivera-Maldonado Alexandra Novas Pedro L. Cruz-rosa Idhaliz Flores-Caldera Maricarmen Colón-Diaz Department of Physiology and Pathology San Juan Bautista School of Medicine Caguas Puerto Rico United States Ponce Research Institute Ponce Health Sciences University Ponce Puerto Rico United States

Introduction: Uterine leiomyomas, or fibroids, are prevalent benign tumors affecting up to 70% of reproductive-age women in the United States, significantly impacting productivity and quality of life. Despite their commonality, the epidemiology and clinical patterns of leiomyomas in Puerto Rico remain inadequately researched. Methods: This study conducted a secondary data analysis using clinical, menstrual cycle characteristics, and demographic data from self-administered questionnaires of women undergoing diagnostic laparoscopy for endometriosis in Puerto Rico. Chi-square tests and t-tests analyzed categorical and continuous variables, respectively (p Results: Among 1,610 endometriosis cases, 312 included uterine fibroids. Prevalence estimates were 10.3% (40 years). Primiparous women averaged 22.14 years, with 40.71% having 2 - 3 pregnancies and 26.28% experiencing miscarriages. Symptoms included infertility (29.5%), dyspareunia (40.7%), severe pain (50%), and dysmenorrhea (75.6%). Comorbidities included ovarian cysts (52.2%) and abnormal uterine bleeding (37.8%). Conclusions: Advanced age, parity, and comorbidities like diabetes and hypertension were prevalent in our cohort. Understanding the epidemiological profile of women living in Puerto Rico with uterine fibroids is crucial for improving diagnostic awareness and enhancing patient care.

关键词： Uterine Fibroids Puerto Rico Epidemiology Dysmenorrhea Abnormal Uterine Bleeding

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Leukocyte telomere length and plasma interleukin-1β and interleukin-18 levels in mild cognitive impairment and Alzheimer's disease: new biomarkers for diagnosis and disease progression?

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Neural Regeneration Research 2021年第7期16卷 1397-1398页

作者： rosa Maria Corbo Rita Businaro Daniela Scarabino Department of Biology and Biotechnology Sapienza UniversityRomeItaly Department of Medico-Surgical Sciences and Biotechnologies Sapienza University of RomeLatinaItaly CNR Institute of Molecular Biology and Pathology Rome Italy

Alzheimer's disease and mild cognitive impairment biomarkers: Alzheimer's disease(AD) is a progressive neurodegenerative disease of advancing *** affects around 47 million people in the world and the number is estimated to increase to 152 million by *** develops dementia every three seconds and the current annual cost of dementia is estimated at US $1 trillion, a figure set to double by 2030(Alzheimer's Disease International, 2019).

关键词： Alzheimer impairment diagnosis

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Interaction of major genes predisposing to hepatocellular carcinoma with genes encoding signal transduction pathways influences tumor phenotype and prognosis

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World Journal of Gastroenterology 2008年第43期14卷 6601-6615页

作者： Francesco Feo Maddalena Frau rosa Maria Pascale Department of Biomedical Sciences Division of Experimental Pathology and OntologyUniversity of SassariSassari 07100Italy

Studies on rodents and humans demonstrate an inherited predisposition to hepatocellular carcinoma （HCC）. Analysis of the molecular alterations involved in the acquisition of a phenotype resistant or susceptible to hepatocarcinogenesis showed a deregulation of G1 and S phases in HCC of genetically susceptible F344 rats and a G1-S block in lesions of resistant Brown norway （BN） rats. Unrestrained extracellular signal-regulated kinase （ERK） activity linked to proteasomal degradation of dual-specificity phosphatase 1 （DUSP1）, a specific ERK inhibitor, by the CKS1-SKP2 ubiquitin ligase complex occurs in more aggressive HCC of F344 rats and humans. This mechanism is less active in HCC of BN rats and human HCC with better prognosis. Upregulation of iNos cross-talk with IKK/NF-KB and RAS/ERK pathways occurs in rodent liver lesions at higher levels in the most aggressive models represented by HCC of F344 rats and c-Myc-TGF-α transgenic mice. iNOS, IKK/NF-κB, and RAS/ERK upregulation is highest in human HCC with a poorer prognosis and positively correlates with tumor proliferation, genomic instability and microvascularization, and negatively with apoptosis. Thus, cell cycle regulation and the activity of signal transduction pathways seem to be modulated by HCC modifier genes, and differences in their efficiency influence the susceptibility to hepatocarcinogenesis and probably the prognosis of human HCC.

关键词： Hepatocarcinogenesis Genetic predisposition Polygenic disease, Redifferentiation Signal transduction pathways Cell cycle Cell proliferation Apoptosis Proteasomal degradation

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Diet Composition of the Salamander Lyciasalamandra luschani basoglui on the Greek Island of Kastellorizo in the Southeast Aegean Sea

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Asian Herpetological Research 2011年第3期2卷 155-160页

作者： rosa-Maria POLYMENI Canella RADE Costis PAPANAYOTOU Department of Zoology and Marine Biology Faculty of BiologyUniversity of Athens Department of Ecology and Systematics Faculty of BiologyUniversity of Athens Institut Jacques Monod CNRS Université Paris Diderot

The diet composition of the Lycian salamander Lyciasalamandra luschani basoglui across both age and sex groups was studied. Specimens were collected from a small island in the Southeast Aegean Sea. The dominant prey group of juveniles consisted of Collembola, while Coleoptera dominated the diet of males and females. The number and size of prey items consumed by males and females of L. luschani basoglui were quite similar, while juveniles ate fewer items of much smaller size. The numerical abundance along with the four measures of the size of prey permitted discrimination among males, females and juveniles. Although discrimination between adults and juveniles is expected due to dissimilarity in body size, discrimination between males and females remains inexplicable despite their similarity in body size. Future studies should be focused on understanding how and why prey choice differs between sexes in L. luschani basoglui.

关键词： Lycian salamander prey item invertebrate Southeast Greece age and sex groups

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The Ability of Different Imputation Methods to Preserve the Significant Genes and Pathways in Cancer

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Genomics, Proteomics & Bioinformatics 2017年第6期15卷 396-404页

作者： rosa Aghdam Taban Baghfalaki Pegah Khosravi Elnaz Saberi Ansari School of Btological Science Institute for Research in Fundamental Sciences(IPM)Tehran 19395-5746Iran Department of Statistics Faculty of Mathematical Sciences Tarbiat Modares UniversityTehran 14115-111Iran Department of Physiology and Biophysics Institute for Computational Biomedicine and Institute for Precision MedicineWeill Cornell Medical CollegeNew YorkNY 10021USA Institut Cochin Inserm UlO16CNRS UMR 8104Universit Paris Descartes UMR-SIO16F-75014 ParisFrance

Deciphering important genes and pathways from incomplete gene expression data could facilitate a better understanding of cancer. Different imputation methods can be applied to estimate the missing values. In our study, we evaluated various imputation methods for their performance in preserving significant genes and pathways. In the first step, 5% genes are considered in random for two types of ignorable and non-ignorable missingness mechanisms with various missing rates. Next, 10 well-known imputation methods were applied to the complete datasets. The significance analysis of microarrays （SAM） method was applied to detect the significant genes in rectal and lung cancers to showcase the utility of imputation approaches in preserving significant genes. To determine the impact of different imputation methods on the identification of important genes, the chi-squared test was used to compare the proportions of overlaps between significant genes detected from original data and those detected from the imputed datasets. Additionally, the significant genes are tested for their enrichment in important pathways, using the ConsensusPathDB. Our results showed that almost all the significant genes and pathways of the original dataset can be detected in all imputed datasets, indicating that there is no significant difference in the performance of various imputation methods tested. The source code and selected datasets are available on http：//***/soft- wares/imputationmethods/.

关键词： Gene expression Missing data Imputation method Signi?cant genes Pathway enrichment

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Early-onset colorectal cancer:A review of current knowledge

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World Journal of Gastroenterology 2023年第8期29卷 1289-1303页

作者： Margarida R Saraiva Isadora rosa Isabel Claro Department of Gastroenterology Instituto Português de Oncologia de Lisboa Francisco GentilLisboa 1099-023Portugal

Colorectal cancer(CRC)is one of the most prevalent malignancies *** most prevalent among older people,its incidence above 50 years old has been decreasing globally in the last decades,probably as a result of better ***,its incidence in patients below 50 years old[early-onset CRC(EO-CRC)]has been increasing,for reasons not yet fully ***’s increasing incidence is genre independent but shows racial disparities and has been described to occur *** follows a birth-cohort effect which probably reflects a change in exposure to CRC risk *** incidence is predicted to double until 2030,which makes EO-CRC a serious public health *** modifiable and non-modifiable risk factors have been identified-some are potential targets for preventive ***-CRC is often diagnosed at advanced stages and histological features associated with poor prognosis have been ***-CRC presents some distinctive features:Microsatellite instability is common,but another subtype of tumours,both microsatellite and chromosome stable also seems *** are no age-specific treatment protocols and studies on EO-CRC survival rates have shown conflicting *** to the higher germline pathological mutations found in EO-CRC patients,an accurate genetic risk evaluation should be *** this review,we summarize the current evidence on epidemiological,clinical,histopathological and molecular features of EO-CRC and discuss the contribution of genetics and lifestyle risk *** further comment on screening strategies and specific dimensions to consider when dealing with a younger cancer patient.

关键词： Colorectal cancer Early-onset Adenocarcinoma Hereditary Birth-cohort effect Risk factors

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Effects of bixin in high-fat diet-fed-induced fatty liver in C57BL/6J mice

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Asian Pacific Journal of Tropical Biomedicine 2016年第12期6卷 1015-1021页

作者： rosa Martha Perez Gutierrez Rita Valadez Romero Research Laboratory of Natural Products School of Chemical Engineering and Extractive IndustriesNational Polytechnic InstituteAv.Instituto Politecnico Nacional S/NUnidad Profesional Adolfo Lopez Mateos

Objective:To evaluate the anti-obesity activity of bixin(BIX) on C57BL/6J mice which were fed a high-fat diet(HFD) and to determine the mechanism of this ***:C57BL/6J mice were separately fed a high-calorie diet or a normal diet for 8weeks,then they were treated with BIX for another 13 *** administration for 13 weeks,the animals were *** adiposity,serum lipid level,and insulin resistance were *** addition,a histological assay of pancreas and liver,an evaluation of the inhibitory properties on pancreatic lipase,and a-amylase were ***:Administration of BIX significantly decreased the body weight gain,adipocyte size,fat pad weights,hepatic lipid levels in HFD-induced obese *** addition,reduced liver weight exhibited decreased serum leptin levels,malic enzyme,glucose-6-phosphate dehydrogenase,hepatic fatty acid synthase,aspartate aminotransferase,alanine aminotransferase and hepatic phosphatidate phosphohydrolase ***,superoxide dismutase,catalase,glutathione peroxidase,and glutathione levels were increased in hepatic *** also decreased lipid and carbohydrates absorption due to inhibition of pancreatic lipase and *** term supplementation of BIX significantly decreased hyperlipidemia,insulin resistance and glucose *** levels of hepatic steatosis and the islets of Langerhans appeared less shrunken in HFD-fed ***:The antiobesity effect of BIX appears to be associated at least in part,to its inhibitory effect on lipids and carbohydrate digestion enzymes such as pancreatic lipase,a-glucosidase,and *** results suggested that BIX also act as an antioxidant and may treat visceral obesity normalizing glucose levels,improving insulin resistance and increasing energy ***,achiote which has a main component,the carotenoid BIX,could be a viable food for the treatment of obesity and diabetes.

关键词： Bixa orellana Bixin Obesity Enzymes Metabolic disturbances Diabetic

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Deep learning for land use and land cover classification from the Ecuadorian Paramo.

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International Journal of Digital Earth 2022年第1期15卷 1001-1017页

作者： Marco Castelo-Cabay Jose A.Piedra-Fernandez rosa Ayala Applied Computing Group University of AlmeriaAlmeriaSpain

The paramo,plays an important role in our ecosystems as They balance the water resources and can retain substantial quantities of *** research was carried out in the province of Tungurahua,specifically the Quero *** aim is to develop a classification of the land use land cover(LULC)in the paramo using satellite imagery using several classifiers and determine which one obtains the best performance,for which three different approaches were applied:Pixel-Based Image Analysis(PBIA),Geographic Object-Based Image Analysis(GEOBIA),and a Deep Neural Network(DNN).Various parameters were used,such as the Normalized Difference Vegetation Index(NDVI),the Bare Soil Index(BSI),texture,altitude,and *** classes were used:paramo,pasture,crops,herbaceous vegetation,urban,shrubrainland,and forestry *** data was obtained with the help of onsite technical experts,using geo-referencing and reference *** the models used the highest-ranked was DNN with an overall precision of 87.43%,while for the paramo class specifically,GEOBIA reached a precision of 95%.

关键词： Classification land use and land cover pixel-based image analysis geographic object-based image analysis deep neural network

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