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Expanding the Boundaries of the Chemical Space of DNA Methyltransferase 1 Modulators

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Computational Molecular Bioscience 2024年第1期14卷 1-16页

作者： Massyel S. Martínez-Cortés Diana L. Prado-Romero josé L. Medina-Franco DIFACQUIM Research Group Department of Pharmacy School of Chemistry Universidad Nacional Autónoma de México Avenida Universidad 3000 Mexico City México

DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecule DNMT1 modulators are attractive for biochemical epigenetic studies and have the potential to become drugs. So far, more than five hundred small molecules have been reported as DNMT1 inhibitors. However, only a limited number of DNMT1 activators have been disclosed because, at least in part, DNMT1 activators are typically regarded as negative data in virtual screening campaigns or optimization projects. This manuscript aims to report the chemical structures and biological activity of small molecules that increase the enzymatic activity of DNMT1. Results of the biochemical experimental assays are discussed. It was found that small molecule activators have a large variety of chemical scaffolds but share pharmacophore features. Visual analysis of the chemical space and multiverse based on molecular fingertips supported that activators are structurally diverse. This is the first report of eight small molecules that increase the enzymatic activity of DNMT1 by more than 400% in an enzymatic-based assay. The outcome warrants further investigation of the epigenetic activity of the compounds in a counter-screen assay, e.g., cell-based and in vivo context.

关键词： Chemical Multiverse Chemoinformatics Epigenetics Pharmacophore Hypothesis Small Molecules

Rifaximin on epigenetics and autophagy in animal model of hepatocellular carcinoma secondary to metabolic-dysfunction associated steatotic liver disease

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World Journal of Hepatology 2024年第1期16卷 75-90页

作者： Matheus Truccolo Michalczuk Larisse Longo Melina Belén Keingeski Bruno de Souza Basso Gabriel Tayguara Silveira Guerreiro Jessica T Ferrari joséEduardo Vargas Cláudia P Oliveira Carolina Uribe-Cruz Carlos Thadeu Schmidt Cerski Eduardo Filippi-Chiela Mário ReisÁlvares-da-Silva Division of Gastroenterology Hospital de Clínicas de Porto AlegrePorto Alegre 90035-903Rio Grande do SulBrazil Graduate Program in Gastroenterology and Hepatology Universidade Federal do Rio Grande do SulPorto Alegre 90035-003Rio Grande do SulBrazil Experimental Laboratory of Hepatology and Gastroenterology Hospital de Clínicas de Porto AlegrePorto Alegre 90035-903Rio Grande do SulBrazil Laboratory of Inflammatory and Neoplastic Cells Universidade Federal do ParanáParaná81530900Brazil Department of Gastroenterology(LIM07) Faculdade de Medicina da Universidade de São PauloSão Paulo 01246903Brazil Facultad de Ciencias de la Salud Universidad Católica de las MisionesPosadasMisiones 3300Argentina Unit of Surgical Pathology Hospital de Clinicas de Porto AlegrePorto Alegre 90035-903Rio Grande do SulBrazil Center of Biotechnology Universidade Federal do Rio Grande do SulPorto Alegre 90035-003Rio Grande do SulBrazil Department of Morphological Sciences Universidade Federal do Rio Grande do SulPorto Alegre 90.050-170Rio Grande do SulBrazil Conselho Nacional de Desenvolvimento Científico e Tecnológico(CNPq) Conselho Nacional de Desenvolvimento Científico e Tecnológico(CNPq)ResearcherBrasília 71.605-001Brazil

BACKGROUND Prevalence of hepatocellular carcinoma(HCC)is increasing,especially in patients with metabolic dysfunctionassociated steatotic liver disease(MASLD).AIM To investigate rifaximin(RIF)effects on epigenetic/autophagy markers in animals.METHODS Adult Sprague-Dawley rats were randomly assigned(n=8,each)and treated from 5-16 wk:Control[standard diet,water plus gavage with vehicle(Veh)],HCC[high-fat choline deficient diet(HFCD),diethylnitrosamine(DEN)in drinking water and Veh gavage],and RIF[HFCD,DEN and RIF(50 mg/kg/d)gavage].Gene expression of epigenetic/autophagy markers and circulating miRNAs were obtained.RESULTS All HCC and RIF animals developed metabolic-dysfunction associated steatohepatitis fibrosis,and cirrhosis,but three RIF-group did not develop HCC.Comparing animals who developed HCC with those who did not,miR-122,miR-34a,tubulin alpha-1c(Tuba-1c),metalloproteinases-2(Mmp2),and metalloproteinases-9(Mmp9)were significantly higher in the HCC-group.The opposite occurred with Becn1,coactivator associated arginine methyltransferase-1(Carm1),enhancer of zeste homolog-2(Ezh2),autophagy-related factor LC3A/B(Map1 Lc3b),and p62/sequestosome-1(p62/SQSTM1)-protein.Comparing with controls,Map1 Lc3b,Becn1 and Ezh2 were lower in HCC and RIF-groups(P0.05).miR-122 was higher in HCC,and miR-34a in RIF compared to controls(P0.05).CONCLUSION RIF might have a possible beneficial effect on preventing/delaying liver carcinogenesis through epigenetic modulation in a rat model of MASLD

关键词： Animal model Autophagy Epigenetic Hepatocellular carcinoma Metabolic dysfunction-associated steatotic liver disease Rifaximin

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银河升起

华东科技 2024年第1期 6-7页

作者： josé Rodrigues

在这片深邃的夜空星野里，银河系的核心从智利山顶的拉西拉天文台后方升起。位于人马座方向的银河系核心，左方的欧南天文台坐落着率先使用主动光学以精确控制大望远镜面形状的新科技望远镜；右侧则有欧南天文台的3.6米口径望远镜，它...

在这片深邃的夜空星野里，银河系的核心从智利山顶的拉西拉天文台后方升起。位于人马座方向的银河系核心，左方的欧南天文台坐落着率先使用主动光学以精确控制大望远镜面形状的新科技望远镜；右侧则有欧南天文台的3.6米口径望远镜，它是搜寻系外行星的HARPS和NIRPS光谱仪的基地。夹在二者之间的银河系中心鼓核，塞满了不透光的星际尘埃、亮星、星团与星云，包括在银河系中心附近正在散发鲜红辉光、

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Multi-tissue transcriptomics of a unique monozygotic discordant twin case of severe progressive osseous heteroplasia

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Genes & Diseases 2024年第3期11卷 22-25页

作者： Alberto Gomez-Carballa Maria jose Curras-Tuala Sara Pischedda Miriam Cebey-Lopez jose Gomez-Rial Irene Rivero-Cale Jacobo Pardo-seco Xabier Bello Sandra Viz-Lasheras Antonio Justicia-Grande Julian Montoto-Louzao Alba Camino-Mera Isabel Ferreiros-Vidal Maximo Fraga jose RAntunez Rodolfo Gomez Federico Martinon-Torres Antonio Salas Genetics Vaccines and Infections Research Group(GENVIP)Instituto de Investigacion Sanitaria de SantiagoSantiagode CompostelaGalicia 15706Spain Translational Pediatrics and Infectious Diseases Department of PediatricsHospital Clinico Universitario de Santiago de CompostelaServicio Galego de Saude(SERGAS)Galicia 15706Spain Laboratorio de Inmunologia Servicio de Andlisis ClinicosHospital Clinico Universitario de Santiago de CompostelaServicio Galego de Saude(SERGAS)Galicia 15706Spain Unidade de Xenetica Instituto de Ciencias Forenses(INCIFOR)Facultade de MedicinaUniversidade de Santiago de Compostelaand GenPoB Research GroupInstituto de Investigacion SanitariaHospital Clinico Universitario de Santiago de CompostelaServicio Galego de Saude(SERGAS)Galicia 15706Spain Musculoskeletal Pathology Group Instituto de Investigacion Sanitaria de SantiagoServicio Galego de Saude(SERGAS)Santiago de CompostelaGalicia 15706Spain Department of Pathology Hospital Clinico Universitario de Santiago de Compostela(SERGAS)Galicia 15706Spain Unidad Integrada de BiobancosBiomodelos 3D y Modelos Animales IDIS(lnstituto de Investigacion Sanitaria de Santiagode Compostela)Galicia15706Spain Centro de Investigacion Biomedica en Red de Enfermedades Respiratorias(CIBER-ES) MadridSpain

Progressive osseous heteroplasia(POH)is an ultra-rare autosomal dominant disabling disorder characterized by heterotopic ossification(HO).It is caused by heterozygous inactivating mutations in the GNAS(guanine nucleotide-binding protein alpha-stimulating activity polypeptide)gene.However,the molecular mechanisms underlying HO remain poorly understood.As a treatment for POH is not yet available,the identification of the mechanisms driving POH in affected tissues using gene expression may be of great help to underestand the molecular basis of POH and develop new therapeutic approaches.

关键词： stimulating driving asi

The Nikola Tesla Constant and Its Relation to the Circumference Inscribed in a Square

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Journal of Applied Mathematics and Physics 2024年第1期12卷 277-283页

作者： Javier Mendoza Navarrete josé Ismael Ojeda Campaña Huetzin Perez Gabriel Luna-Sandoval Victor Verdugo Ricardo Jiménez Garcia Departamento de Matemáticas CBTis 256 DGETI Cabo San Lucas México División de Ingeniería en Sistemas Computacionales Tecnológico Nacional de México/ITES de Los Cabos Cabo San Lucas México DCI Departamento de Física Médica Universidad de Guanajuato León México Departamento de Ingeniería Industrial en Manufactura Universidad Estatal de Sonora Navojoa México Departamento de Eléctrica-Electrónica Tecnológico Nacional de México Campus Mexicali Mexicali México

This research work relates the surface of a square and the area circumscribed by a circle, resulting in a value called Nikola Tesla constant. This constant starts with the calculation of the areas of the square and the inscribed circle, giving a ratio of 9/40 and from which a residual area of the area proportions of the geometric figures described is obtained. Plotting smooth curves, particularly those in round shapes, can be represented efficiently with the use of Nikola Tesla constant, reducing complex mathematical calculus.

关键词： Tesla Numbers Prime Number Circle Binary Area

Ductal carcinoma in situ within a fibroadenoma:A case report and review of literature

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World Journal of Radiology 2024年第3期16卷 58-68页

作者： Yazmin Olivares-Antúnez Yesika Janett Dávila-Zablah joséRaúl Vázquez-Ávila Gabriela Sofía Gómez-Macías María Teresa Mireles-Aguilar Margarita Lilia Garza-Montemayor Department of Diagnostic Breast Imaging Center Hospital Zambrano HellionTecnológico de MonterreyNuevo León 66260Mexico Department of Patology Service Hospital San JoséTecnológico de MonterreyNuevo León 64710Mexico Department of Faculty of Medicine Hospital Universitario de la UANLNuevo León 64710Mexico. Department of Breast Surgery Center Hospital Zambrano HellionTecnológico de MonterreyNuevo León 66260Mexico

BACKGROUND Fibroadenoma(FA)is the most common tumor found in young women,although it can occur in any age group.Ductal carcinoma in situ(DCIS)that is confined in a FA is rare;it is most frequently reported as an incidental finding.CASE SUMMARY We report a case of DCIS within a FA in a 46-year-old female without cancerrelated personal and family histories.The patient was diagnosed with a breast conglomerate of nodules and was followed for 1 year.In the current control image study,we found suspicious microcalcification,as a new finding,within one of the nodules.Consequently,a core biopsy of the tumor,which appeared hypoechoic,oval,and circumscribed,was performed.The pathological diagnosis was ductal carcinoma in situ within a fibroepithelial lesion.The patient underwent breastconserving surgery and received radiotherapy as well as endocrine therapy(tamoxifen).CONCLUSION We recommend a multidisciplinary approach for adequate treatment and followup.

关键词： Carcinoma in situ Fibroadenoma Mammography Ultrasound Magnetic resonance imaging Radiology Case report

Gravity Fault Subsidence and Beach Ridges Progradation in Quinta-Cassino (RS) Coastal Plain, Brazil

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Open Journal of Geology 2024年第2期14卷 177-195页

作者： Bruno Silva da Fontoura Adelir josé Strieder Iran Carlos Stalliviere Corrêa Paulo Rogério Mendes Alexandre Felipe Bruch Angélica Cirolini Programa de Pós-Graduaç &#227o em Geoci&#234ncias (PPGeo) Instituto de Geoci&#234ncias UFRGS Porto Alegre Brazil Engenharia Geológica Centro de Engenharias UFPel Pra&#231a Domingos Rodrigues 2 Pelotas Brasil HIDROSERV-Serviç os Geológicos e Geofísicos Ltda. Rua Senegal 152 Porto Alegre Brazil Colégio Politécnico UFSM Santa Maria Brasil

Ground penetrating radar (GPR) surveys have being applied to investigate very near-surface stratification of sedimentary units in coastal plains and to define their depositional conditions. This paper presents, however, low-frequency GPR survey to investigate fault-related depositional systems at greater depths. The Quinta-Cassino area in the Rio Grande do Sul Coastal Plain (RGSCP, Brazil) shows a wide strandplain that is made off by very long, continuous, and linear geomorphic features (beach ridges). This strandplain extends for ~70 km southward. The beach ridges show low-angle truncations against the Quinta escarpment, and also truncations in the strandplain. The traditional approach points that RGSCP was developed by juxtaposition of four lagoons/barrier systems as consequence of sea level changes;previous model assumes that no deformational episode occurred in RGSCP. The geophysical and geological surveys carried out in this area showed the existence of listric fault controlling the beach ridges in the escarpments and hanging-wall blocks. The radargrams could distinguish Pleistocene basement unit anticlockwise rotation, thickening of beach ridges radarfacies close to listric normal faults, and horst structures. These deformational features indicate that the extensional zone of a large-scale gravity-driven structure controlled the mechanical subsidence, the Holocene sedimentation and its stratigraphic and geomorphic features in the Quinta-Cassino area to build up an asymmetric delta. The results point to a new approach in dealing with RGSCP Holocene evolution.

关键词： Gravity Tectonics Normal Faults Ground Penetrating Radar Survey Beach-Ridges Progradation

From Simulation to Reality: A Comprehensive Study on the Efficacy of a Rotating Monopolar and Bipolar Radiofrequency System through In-Silico Modeling and Pre-Clinical and Clinical Validation

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Journal of Biomedical Science and Engineering 2024年第6期17卷 107-128页

作者： Gregorio Viera Mármol Ana Lorena Urbano Bojorge Alicia Robledo Jorge josé Antonio Ferrández Martínez Olalla Calvo Lozano High Technology Products S.L.U. (Sinclair) Barcelona Spain

Background: Skin aging is an unavoidable process aggravated by environmental agents. Among other energy devices, non-invasive radiofrequency (RF) technology is widely used for skin tightening and body contouring as it is simpler and more affordable than other technologies that also minimize pain and side-effects. However, most of the current RF devices do not provide automatic skin temperature control and it is difficult to achieve controlled, deep, and harmless thermal increase, so treatment performance and safety is dependent on the operator’s movements and expertise. Objective: To show the potential of numerical simulations for optimizing the design of monopolar and bipolar RF electrodes that are capable of providing homogeneous, deep and controlled heating. Materials and methods: In-silico models were developed and analyzed using Comsol Multiphysics software to simulate the RF effect produced in tissue by rotating monopolar and bipolar electrodes with different geometries from the Sculpt & Shape RF device (Sinclair, Spain), operating at frequencies of 0.5 and 1 MHz. Ex-vivo and in-vivo proof-of-concept tests were carried out to validate the simulations. Finally, treatments were performed on 16 subjects and a total of 78 body areas to assess the clinical results generated by the RF electrodes for skin tightening and body contouring. Results: In-silico studies emulated the superficial and deep dispersion of heat due to the release of RF energy into human skin tissue. The rotating electrodes (monopolar and bipolar) and the selected RF frequency (0.5 and 1 MHz) determined the homogeneity of the thermal distribution, the penetration depth (between 4.37 mm and 25.0 mm) and the heating dynamics (between 30 and 100 seconds to reach the target skin temperature), which were confirmed by ex-vivo and in-vivo tests. In addition, real treatments on facial and body areas using skin temperatures of between 43˚C and 44˚C showed consistent results with good clinical efficacy for skin tightening, circumference reduction and cel

关键词： Comsol Multiphysics Simulations Radiofrequency Skin Tightening Fat Reduction Body Contouring Cellulite

Secondary Metabolites of Entomopathogenic Fungi, Biological Alternative for the Control of Agricultural Pests and Disease: Present and Perspectives

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Advances in Enzyme Research 2024年第1期12卷 1-15页

作者： Nallely San Juan-Maldonado Silvia Rodríguez-Navarro Alejandro Angel-Cuapio josé Norberto Vásquez Bonilla Juan Esteban Barranco-Florido Departamento de Producció n Agr&#237cola y Animal Universidad Aut&#243noma Metropolitana Unidad Xochimilco Ciudad de M&#233xico M&#233xico Divisió n de Ingenier&#237a Qu&#237mica y Bioqu&#237mica Tecnol&#243gico Nacional de M&#233xico/TES de Ecatepec Ecatepec de Morelos M&#233xico Departamento de Sistemas Bioló gicos Universidad Aut&#243noma Metropolitana Unidad Xochimilco Ciudad de M&#233xico M&#233xico

The use of entomopathogenic fungi (EF) in recent years has been highly effective against the different orders of insects considered pests of agricultural importance and their conidia have been commonly applied, but it has been reported that these are sensitive to the environmental conditions. For this reason, biopesticides products have been formulated based on secondary metabolites, recently. These biomolecules participate as biological control agent, such as: cyclic depsipeptides, amino acids, polyketides, polyphenols and terpenoids, affecting their morphology, life cycle and insect behavior. The use of secondary metabolites of entomopathogenic fungi opens the possibility of application in a more efficient way for the control of agricultural pests in a compatible with the environment and human health;therefore, it is important to know, analyzing the type of molecules, their effects, and their different methods of application.

关键词： Secondary Metabolites Entomopathogenic Fungi Biological Control Agent