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Searching for Novel Targets to Control Wheat Head Blight Disease—I-Protein Identification, 3D Modeling and Virtual Screening

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Advances in Microbiology 2016年第11期6卷 811-830页

作者： Natália f. martins Emmanuel Bresso roberto C. Togawa Martin Urban John Antoniw Bernard Maigret Kim Hammond-Kosack EMBrAPA recursos Genéticos e Biotecnologia Parque Estacao Biológica Brasília Brazil Department of Plant Biology and Crop Science Rothamsted Research Harpenden UK CNrS LORIA UMR 7503 Lorraine University Nancy France

fusarium head blight (fHB) is a destructive disease of wheat and other cereals. fHB occurs in Europe, North America and around the world causing significant losses in production and endangers human and animal health. In this article, we provide the strategic steps for the specific target selection for the phytopathogen system wheat-fusarium graminearum. The economic impact of fHB leads to the need for innovation. Currently used fungicides have been shown to be effective over the years, but recently cereal infecting fusaria have developed resistance. Our work presents a new perspective on target selection to allow the development of new fungicides. We developed an innovative approach combining both genomic analysis and molecular modeling to increase the discovery for new chemical compounds with both safety and low environmental impact. Our protein targets selection revealed 13 candidates with high specificity, essentiality and potentially assayable with a favorable accessibility to drug activity. Among them, three proteins: trichodiene synthase, endoglucanase-5 and ErG6 were selected for deeper structural analyses to identify new putative fungicides. Overall, the bioinformatics filtering for novel protein targets applied for agricultural purposes is a response to the demand for chemical crop protection. The availability of the genome, secretome and PHI-base allowed the enrichment of the search that combined experimental data in planta. The homology modeling and molecular dynamics simulations allowed the acquisition of three robust and stable conformers. from this step, approximately ten thousand compounds have been virtually screened against three candidates. forty-five top-ranked compounds were selected from docking results as presenting better interactions and energy at the binding pockets and no toxicity. These compounds may act as inhibitors and lead to the development of new fungicides.

关键词： fusarium graminearum fungicide Development 3D Protein Modeling Target Selection

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Systematic Biological Upgrade of a Urea fertilizer Effluent Treatment Plant Using GPS

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Open Journal of Applied Sciences 2023年第8期13卷 1457-1477页

作者： Isyaku Ahmad Joseph T. Akintola regina J. Patinvoh Wilson f. Ekpotu martins C. Obialor Philemon Chukwuebuka Udom Process (Urea) Department Dangote Fertiliser Limited Lagos Nigeria Department of research & Development Vitapur Nigeria Limited Lagos Nigeria Department of Chemical Engineering Faculty of Engineering Lagos State University Lagos Nigeria Department of Chemical & Petroleum Engineering University of Uyo Akwa Ibom Nigeria Department of Chemical Engineering Federal University of Owerri Owerri Nigeria

The use of modeling and simulation has developed into a critical tool for the sustainable management of wastewater, especially when it comes to replicating the complex biochemical procedures required for fertilizer effluent treatment, which calls for a significant amount of wastewater-related data. The biological improvement of a urea fertilizer effluent via GPS* simulation was carried out in this work using a methodical process. Using established analytical techniques, temperature, total suspended solids (TSS), biochemical oxygen demand (BOD), total phosphorus (T/), chemical oxygen demand (COD), total nitrogen (TN), total nitrate (NO3), electric conductivity (EC), turbidity, residual chlorine, urea, NH3, and heavy metals (Cu, Cd, Cr, Pb, Ni, and fe) were assessed. The research revealed that the measured values from the fertilizer factory outfall effluent had high concentrations of all the physicochemical water quality indicators, with the exception of TSS, PO4-, SO4-, and NO3-. These concentrations are higher compared to the authorized limits or suggested values by the federal Environmental Protection Agency (fEPA). To improve the therapy biologically, however, a modeling and simulation program (GPS-X, version 8.0) was used with the physicochemical information gathered from the studied sample. The results of the treated water simulation showed that the concentrations of BOD5 and COD had been significantly reduced by 35% and 44%, respectively. Additionally, it was discovered that total phosphorus (TP), nitrate (N), and total nitrogen (TN) were all within the permitted fEPA limit. The results revealed good treatment performance of the wastewater with increasing concentration of acetic acid and sodium hydroxide. Hence, the results of this research work identify the need for proper treatment of fertilizer industry effluents prior to their release into the environment.

关键词： fertilizer Wastewater Effluent Discharge Basin Outfall Basin Physiochemical Analysis GPS* Modelling & Simulation

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regional odontodysplasia: Account of clinical case in permanent teeth

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Open Journal of Stomatology 2013年第4期3卷 268-272页

作者： Antonio Carrilho Neto fábio Eduardo de Siqueira fernanda Michelli martins Thaisa Bueno Godoy Parreira Paula Mayumi Siqueira State University of Londrina Londrina Brazil

The regional odontodysplasia, also referred as odontogenic dysplasia, is a rare condition which has been described as an alteration of the dental development affecting the mineralized structures of both the permanent and deciduous teeth, and it has been associated with retardation in the eruption of the affected teeth, gum edema, hydrocephalus and Epidermal Nevus Syndrome. The etiology is still unknown, however, some hypotheses have been suggested about their origin. About its incidence, this disease is more frequent in the anterior segment of the maxilla and usually unilateral. Epidemiologically this disease shows no predilection for any racial group, being more frequent in the first and second decade of life and predominantly in females. Clinically the Odontodysplasia regional is characterized as an hypoplasia of enamel and dentin in teeth badly formed with size alteration and form coloration varying of the yellow to chestnut;the presence of smooth and extremely friable dentine, tooth mobility and defective mineralization increases the possibilities of the pulp exposure and a tendency to develop abscesses. radio-graphically has the appearance of ghosts tooth with a bizarre morphology;reduction of the normal radiopacity decrease of the thickness of the dentine and enamel structures. They generally present with open apexes;shortened or absent roots;diffuse calcification in the inside of the pulp. Histopathologically it presents with accented reduction of the amount of dentin, presence of great interglobular dentine areas and irregular standard of the dentine canals. Enamel is usually thin, hypoplasic and hypocalcified. The pulp presents atrophic areas, fibrose and hyalinization and the cement does not have marked structural alterations. The treatment of the regional odontodysplasia has been the reason of many quarrels. This present essay aims to review the literature and report a clinical case.

关键词： Teeth Ghosts Odontodysplasia Displasy Odontogenic Imperfect Odontogenic

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OBJECTIVE PErIMETrY WITH THE AC-CUMAP CLINICAL APPLICATIONS

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国际眼科杂志 2003年第1期3卷 69-70页

作者： S.L.Gra-ham A.Klistorner C.Balachandran I.Goldberg A.martins f.Billson Save Sight Institute Sydney University AustraliaSave Sight Institute Sydney University AustraliaSave Sight Institute Sydney University AustraliaSave Sight Institute Sydney University AustraliaSave Sight Institute Sydney University AustraliaSave Sight Institute Sydney University Australia

The clinical application of multifocal visual evoked potentials (mVEP) for objective testing of the visual field has enabled a new approach to the assessment of glaucoma and glaucoma suspects. The AccuMap (ObjectiVisi... 详细信息

关键词：客观视觉图客观视野检查法临床意义 mVEP AccuMap 假阳性病例

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Stochastic Characteristics and Modelling of Monthly rainfall Time Series of Ilorin, Nigeria

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Open Journal of Modern Hydrology 2014年第3期4卷 67-79页

作者： Ahaneku, I. Edwin Otache, Y. martins Department of Agricultural & Bioresources Engineering Federal University of Technology Minna Nigeria Department of Agricultural & Bioresources Engineering Michael Okpara University of Agriculture Umudike Nigeria

The analysis of time series is essential for building mathematical models to generate synthetic hydrologic records, to forecast hydrologic events, to detect intrinsic stochastic characteristics of hydrologic variables as well to fill missing and extend records. To this end, this paper examined the stochastic characteristics of the monthly rainfall series of Ilorin, Nigeria vis-à-vis modelling of same using four modelling schemes. The Decomposition, Square root transformation-deseasonalisation, Composite, and Periodic Autoregressive (T-f) modelling schemes were adopted. results of basic analysis of the stochastic characteristics revealed that the monthly series does not show any discernible presence of long-term trend, though there is a seeming inter-decadal annual variation. The series exhibits strong seasonality throughout its length, both in the moments and autocorrelation and significantly intermittent. Based on assessment of the respective models, the performance of the different modelling schemes can be expressed in this order: T-f > Composite > Square root transformation-Deseasonalised > Decomposition. Considering the results obtained, modelling of monthly rainfall series in the presence of serial correlation between months should be based on the establishment of conditional probability framework. On the other hand, in view of the inadequacy of these modelling schemes, because of the autoregressive model components in the coupling protocol, nonlinear deterministic methods such as Artificial Neural Network, Wavelet models could be viable complements to the linear stochastic framework.

关键词： Stochastic Time Series Modelling rainfall Periodicity Ergodic Ilorin

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risk stratification and geographical mapping of Brazilian inflammatory bowel disease patients during the COVID-19 outbreak:results from a nationwide survey

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World Journal of Gastroenterology 2021年第12期27卷 1226-1239页

作者： Natália Sousa freitas Queiroz fábio Vieira Teixeira Marina Pamponet Motta Liliana Andrade Chebli Adriano Akira ferreira Hino Camilla de Almeida martins Abel Botelho Quaresma Alexandre Augusto de Paula da Silva Adérson Omar Mourão Cintra Damião rogerio Saad-Hossne Paulo Gustavo Kotze Department of Gastroenterology University of São Paulo School of MedicineSão Paulo 05403-000SPBrazil IBD Unit Gastroenterology DepartmentGastrosaúde ClinicMarilia 17509190SPBrazil School of Medicine Federal University of BahiaSalvador 40020-025BHBrazil IBD Outpatient Clinics Universidade Federal de Juiz de ForaJuiz de Fora 36010-010MGBrazil Health Sciences Postgraduate Program Pontifícia Universidade Católica do Paraná(PUCPR)Curitiba 80440-220PRBrazil Departamento de Ciências da Saúde Universidade do Oeste de Santa Catarina(UNOESC)Joaçaba 89600-000SCBrazil Botucatu Medical School Paulista State University(UNESP)Botucatu 18600-050SPBrazil IBD Outpatient Clinics Pontificia Universidade Católica do Paraná(PUCPR)Curitiba 80440-220PRBrazil

BACKGrOUND Coronavirus disease 2019(COVID-19)pandemic is still evolving globally,and Brazil is currently one of the most affected *** is still debated whether patients with inflammatory bowel disease(IBD)are at a higher risk for developing COVID-19 or its *** To assess geographical distribution of IBD patients at the highest risk and correlate these data with COVID-19 mortality rates in *** The Brazilian IBD Study Group(Grupo de Estudos da Doença Inflamatória Intestinal do Brasil)developed a web-based survey adapted from the British Society of Gastroenterology *** included categories were demographic data and inquiries related to risk factors for complications from *** were categorized as highest,moderate or lowest individual *** Spearman correlation test was used to identify any association between highest risk and mortality rates for each state of the *** A total of 3568 patients(65.3%females)were *** participants were from the southeastern and southern regions of Brazil,and 84.1%were using immunomodulators and/or *** patients(55.1%)were at moderate risk,23.4%were at highest risk and 21.5%were at lowest risk of COVID-19 *** association between the proportion of IBD patients at highest risk for COVID-19 complications and higher mortality rates was identified in different Brazilian states(r=0.146,P=0.467).CONCLUSION This study indicates a distinct geographical distribution of IBD patients at highest risk for COVID-19 complications in different states of the country,which may reflect contrasting socioeconomic,educational and healthcare *** association between high risk of IBD and COVID-related mortality rates was identified.

关键词： Crohn’s disease Colitis,Ulcerative COVID-19 Inflammatory bowel disease Brazil

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SArS-CoV-2 productively infects primary human immune system cells in vitro and in CoviD-19 patients

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Journal of Molecular Cell Biology 2022年第4期14卷 51-64页

作者： Marjorie C.Pontelli italo A.Castro ronaldo B.martins Leonardo La Serra flavio P.Veras Daniele C.Nascimento Camila M.Silva ricardo S.Cardoso roberta rosales rogério Gomes Thais M.Lima Juliano P.Souza Brenda C.Vitti Diego B.Caetite Mikhael H.f.de Lima Spencer D.Stumpf Cassandra E.Thompson Louis-Marie Bloyet Juliana E Toller-Kawahisa Marcela C.Giannini Leticia P.Bonjorno Marial.f.Lopes Sabrina S.Batah Li Siyuan rodrigo Luppino-Assad Sergio C.L.Almeida fabiola r.Oliveira Maira N.Benatti Lorena L.f.Pontes rodrigo C.Santana fernando C.Vilar Maria Auxiliadora-martins Pei-Yong Shi Thiago M.Cunha rodrigo T.Calado JoséC.Alves-filho Dario S.Zamboni Alexandre T.fabro Paulo Louzada-Junior rene D.r.Oliveira Sean P.J.Whelan fernando Q.Cunha Eurico Arruda Virology research Center Ribeirao Preto Medical SchoolUniversity of Sao Pauloibeirao PretoSao Paulo 14049-900.Brazil Center of research in Inflammatory Diseases Ribeirao Preto Medical SchoolUniversity of Sao PauloRibeirao PretoSao Paulo 14049-900Brazil Department of Celland Molecular Biology Ribeirao Preto Medical SchoolUniversityof Sao PauloRibeirao PretoSao Paulo 14049-900 Brazil regional Blood Centerof ribeirao Preto Ribeirao Preto Medical ScholUniversity of Sao PauloRibeirao PretoSao Paulo 14049-900Brazil Department of Biochemistry&Molecular Biology the University of Texas Medical BranchGalvestonTX7755USA Divisions of Clinical lmmunology Infectious Diseases and Intensive Care UnitRibeirao Preto Medical Schooniversity of Sao PauloRibeirao PretoSao Paulo 14049-900Brazil Department of Pathology Ribeirao Preto Medical Scholniversity of Sao PauloRibeirao PretoSao Paulo 14049-900Brazil Department of Molecular Microbiology.Washington University in St.Louis Saint LouisMO 63110USA

The severe acute respiratory syndrome coronavirus 2(SArS-CovV-2)infection is associated with a hyperinflammatory state and lymphocytopenia,a hallmark that appears as both signature and prognosis of disease severity *** cytokine storm and a sustained inflammatory state are commonly associated with immune cell depletion,it is still unclear whether direct SArS-Cov-2 infection of immune cells could also play a role in this scenario by harboring viral *** found that monocytes,as well as both B and T lymphocytes,were susceptible to SArS-Cov-2 infection in vitro,accumulating double-stranded rNA consistent with viral rNA replication and ultimately leading to expressive T cell *** addition,flow cytometry and immunofluorescence analysis revealed that SArS-Cov-2 was frequently detected in monocytes and B lymphocytes from coronavirus disease 2019(CoVID-19)*** rates of SArS-Cov-2-infected monocytes in peripheral blood mononuclear cells from CoVID-19 patients increased over time from symptom onset,with SArS-CoV-2-positive monocytes,B cells,and CD4+T lymphocytes also detected in postmortem lung *** results indicated that SArS-CoV-2 infection of blood-circulating leukocytes in covID-19 patients might have important implications for disease pathogenesis and progression,immune dysfunction,and virus spread within the host.

关键词： SArS-CoV-2 CoVID-19 lymphocytopenia peripheral blood mononuclear cell(PBMC) lymphocytes monocytes apoptosis

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Exosomal glypican-1 is elevated in pancreatic cancer precursors and can signal genetic predisposition in the absence of endoscopic ultrasound abnormalities

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World Journal of Gastroenterology 2022年第31期28卷 4310-4327页

作者： Pedro Moutinho-ribeiro Ines A Batista Sofia T Quintas Bárbara Adem Marco Silva rui Morais Armando Peixoto rosa Coelho Pedro Costa-Moreira renato Medas Susana Lopes filipe Vilas-Boas Manuela Baptista Diogo Dias-Silva Ana L Esteves filipa martins Joanne Lopes Helena Barroca fátima Carneiro Guilherme Macedo Sonia A Melo Serviço de Gastrenterologia Centro Hospitalar Universitário de Sao JoaoPorto 4200Portugal faculty of Medicine University of PortoPorto 4200Portugal Instituto de Investigacao e Inovacao em Saúde(i3S) Universidade do PortoPorto 4200Portugal IPATIMUP-Institute of Molecular Pathology and Immunology University of PortoPorto 4200Portugal Instituto de Ciencias Biomédicas Abel Salazar(ICBAS) University of PortoPorto 4050Portugal Servico de Cirurgia Geral Centro Hospitalar Universitário de Sao JoaoPorto 4200Portugal Unidade de Saúde familiar Serpa Pinto ACeS Porto OcidentalPorto 4250Portugal Serviço de Anatomia Patológica Centro Hospitalar Universitário de Sao JoaoPorto 4200Portugal

BACKGrOUND Individuals within specific risk groups for pancreatic ductal adenocarcinoma(PDAC)[mucinous cystic lesions(MCLs),hereditary risk(Hr),and new-late onset diabetes mellitus(NLOD)]represent an opportunity for early cancer *** ultrasound(EUS)is a premium image modality for PDAC screening and precursor lesion *** no specific biomarker is currently clinically available for this purpose,glypican-1(GPC1)is overexpressed in the circulating exosomes(crExos)of patients with PDAC compared with healthy subjects or those harboring benign pancreatic *** To evaluate the capacity of GPC1+crExos to identify individuals at higher risk within these specific groups,all characterized by *** This cross-sectional study with a prospective unicentric cohort included 88 subjects:40 patients with MCL,20 individuals with Hr,and 20 patients with NLOD.A control group(CG)was submitted to EUS for other reasons than pancreatic pathology,with normal pancreas and absence of hereditary risk factors(n=8).The inclusion period was between October 2016 and January 2019,and the study was approved by the Ethics Committee of Centro Hospitalar Universitário de São João,Porto,*** patients provided written informed *** and blood tests for quantification of GPC1+crExos by flow cytometry and carbohydrate antigen 19-9(CA 19-9)levels by ELISA were performed in all ***-guided tissue acquisition was done whenever *** statistical analysis,SPSS®27.0(IBM Corp.,Armonk,NY,United States)version was *** graphs were created using GraphPad Prism 7.00(GraphPad Software,San Diego,CA,United States).rESULTS Half of MCLs harbored worrisome features(Wf)or high-risk stigmata(HrS).Pancreatic abnormalities were detected by EUS in 10.0%and 35.0%in Hr and NLOD individuals,respectively,all considered non-malignant and“harmless.”Median levels of GPC1+crExos were statistically different:MCL[99.4%,interquartile range(IQr):94.9%-99.8%],Hr(8

关键词： Glypican-1 Circulating exosomes Endoscopic ultrasound Pancreatic cancer risk groups Pancreatic cancer precursor lesions Genetic predisposition

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p-mTOr在腔面型乳腺癌中的表达及其与患者预后的关系

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临床与实验病理学杂志 2015年第5期31卷 568-568页

作者： Beca f Andre r martins D S 罗丹余英豪南京军区福州总医院病理科福州350025

哺乳动物雷帕霉素靶蛋白通路蛋白（ p-mTOr ）是PI3K/AKT/mTOr信号通路中重要的靶向蛋白,调控许多重要的循环通路,包括蛋白质合成、细胞增殖、存活及自噬等。本文采用组织芯片及免疫组化法探讨p-mTOr在乳腺癌中的表达及其与不同分子表... 详细信息

哺乳动物雷帕霉素靶蛋白通路蛋白（ p-mTOr ）是PI3K/AKT/mTOr信号通路中重要的靶向蛋白,调控许多重要的循环通路,包括蛋白质合成、细胞增殖、存活及自噬等。本文采用组织芯片及免疫组化法探讨p-mTOr在乳腺癌中的表达及其与不同分子表型的乳腺癌临床病理特征之间的关系。作者对331例乳腺癌免疫组化结果进行了回顾性的分析,结果显示,145例乳腺癌患者 p-mTOr表达阳性（43.8%）,其表达与肿瘤直径较小（〈2 cm）及肿瘤呈低级别相关（P〈0．001）。此外,Kaplan-Meier生存分析显示,p-mTOr在腔面型（ Lunimal）乳腺癌中的高表达预示无病生存率和总生存率更长（ P〈0．001）,多变量Cox分析进一步证实了p-mTOr的表达不仅是独立的无病生存率及总生存率因素（ P=0．002）,而且在Luminal乳腺癌是独立于肿瘤大小、分级、淋巴结是否转移及 HEr-2是否过表达等情况。但是 p-mTOr表达与患者预后的独立关系以及是否可以作为Luni-mal乳腺癌预后的标志物,仍有待于进一步分析。

关键词： p-mTOr 乳腺癌患者乳腺癌预后面型雷帕霉素靶蛋白免疫组化法无病生存率信号通路

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Comparison between endoscopic sclerotherapy and band ligation for hemostasis of acute variceal bleeding

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World Journal of Gastrointestinal Endoscopy 2011年第5期3卷 95-100页

作者： Gustavo Oliveira Luz fauze Maluf-filho Sérgio Eiji Matuguma fábio Yuji Hondo Edson Ide Jeane martins Melo Spencer Cheng Paulo Sakai Gastrointestinal Endoscopy Unit Hospital das ClínicasSo Paulo University Medical School

AIM:To compare band ligation(BL) with endoscopic sclerotherapy(SCL) in patients admitted to an emergency unit for esophageal variceal rupture. METHODS:A prospective,randomized,single-center study without crossover was *** endoscopic diagnosis of esophageal variceal rupture,patients were randomized into groups for SCL or BL *** was performed by ethanolamine oleate intravascular injection both above and below the rupture point,with a maximum volume of 20 *** BL patients,banding at the rupture point was attempted,followed by ligation of all variceal tissue of the distal *** outcomes for both groups were initial failure of bleeding control(5 d) ,early re-bleeding(5 d to 6 wk),and complications,including *** May 2005 to May 2007,100 patients with variceal bleeding were enrolled in thestudy:50 SCL and 50 BL *** differences between groups were observed across gender,age,ChildPugh status,presence of shock at admission,mean hemoglobin levels,and variceal size. rESULTS:No differences were found between groups for bleeding control,early re-bleeding rates,complications,or *** 6 wk,36(80%) SCL and 33(77 %) EBL patients were alive and free of bleeding.A statistically significant association between Child-Pugh status and mortality was found,with 16%mortality in Child A and B patients and 84%mortality in Child C patients(Pr of patients included,our results suggest that SCL and BL are equally efficient for the control of acute variceal bleeding.

关键词： Portal hypertension Hemorrhage Esophageal varices Gastrointestinal endoscopy Ligation Sclerotherapy

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