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In silico Evaluation of the Potential Interference of Boceprevir, Calpain Inhibitor II, Calpain Inhibitor XII, and GC376 in the Binding of sARs-CoV-2 spike Protein to Human Nanobody Nb20

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Open Journal of Biophysics 2023年第3期13卷 35-49页

作者： yuri alves de oliveira só Marcelo Lopes Pereira Junior Wiliam Ferreira Giozza Rafael Timóteo de sousa Junior Ricardo Gargano Luiz Antônio Ribeiro Júnior Institute of Physics University of Brasília Brasília Brazil department of Electrical Engineering University of Brasília Brasília Brazil

Virtual screening can be a helpful approach to propose treatments for COVID-19 by developing inhibitors for blocking the attachment of the virus to human cells. This study uses molecular docking, recovery time and dynamics to analyze if potential inhibitors of main protease (Msup>prosup>) of sARs-CoV-2 can interfere in the attachment of nanobodies, specifically Nb20, in the receptor binding domain (RBD) of sARs-CoV-2. The potential inhibitors are four compounds previously identified in a fluorescence resonance energy transfer (FRET)-based enzymatic assay for the sARs-CoV-2 Msup>prosup>: Boceprevir, Calpain Inhibitor II, Calpain Inhibitor XII, and GC376. The findings reveal that Boceprevir has the higher affinity with the RBD/Nb20 complex, followed by Calpain Inhibitor XII, GC376 and Calpain Inhibitor II. The recovery time indicates that the RBD/Nb20 complex needs a relatively short time to return to what it was before the presence of the ligands. For the RMsD the Boceprevir and Calpain Inhibitor II have the shortest interaction times, while Calpain Inhibitor XII shows slightly more interaction, but with significant pose fluctuations. On the other hand, GC376 remains stably bound for a longer duration compared to the other compounds, suggesting that they can potentially interfere with the neutralization process of Nb20.

关键词： sARs-CoV-2 Main protease Mpro Boceprevir Calpain Inhibitor II Calpain Inhibitor XII GC376 Nanobody Nb20 In silico

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Energy Harvesting Based on Magnetic Dispersion for Three-Phase Power system

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Energy and Power Engineering 2013年第3期5卷 20-23页

作者： Tarcisio oliveira de Moraes Júnior yuri Percy Molina Rodriguez Ewerton Cleudson de sousa Melo Maraiza Prescila dos santos Cleonilson Protásio de souza Federal Institute of Paraíba-IFPB CajazeirasBrazil department of Electrical Engineering Federal University of Paraíba-UFPBJoao PessoaBrazil

This paper presents a comparative study on Magnetic-Dispersion based Energy Harvesting systems (MD-EHs) on electrical conductors that supply power for a three-phase AC motor. It introduces two MD-EHs which are based on magnetic cores of different material, named, nanocrystalline, ferrite and iron powder. The first one consists of harvesting energy from magnetic flux through three symmetrical magnetic cores installed on each power conductors of a three-phase AC motor. The second one consists of a single magnetic core for harvesting energy from magnetic flux of only one of these conductors. Both ones have an AC/DC converter and a variable resistor based load. Experimental results have agreed with the theoretical analysis and show that the first proposed MD-EHs is capable of supplying 14 times more energy than the second MD-EHs, considering nanocrystalline cores and phase current of 3 A, and 7.5 times more energy, considering ferrite cores and phase current of 9 A. such energy can be applied to various low-power devices, especially in wireless sensor network.

关键词： Energy Harvesting Magnetic Dispersion Magnetic Cores

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serological evidence of Toxoplasma gondii infection as potential risk for the development of lepromatous leprosy in an endemic area for both neglected tropical diseases in Brazil

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Infectious Diseases of Poverty 2020年第1期9卷 36-45页

作者： Luciana Regina Pereira oliveira Lívia Mattos Martins Rebeka da Conceição souza yuri scheidegger de Castro Letícia silva Nascimento Juliana Azevedo da silva Edilbert Pellegrini Nahn Junior Wilmar Dias da silva Alba Lucínia Peixoto-Rangel Laboratory of Recognition Biology Center of Biosciences and BiotechnologyState University of Northern Rio de JaneiroCampos dos GoytacazesRJBrazil Campos Medical school Campos dos GoytacazesRJBrazil Laboratory of Immunochemistry Butantan InstituteSão PauloSPBrazil

Background:Mycobacterium leprae and Toxoplasma gondii infections are both neglected tropical diseases highly prevalent in *** with certain parasite species can significantly alter susceptibility to other important pathogens,and/or influence the development of *** we investigated the possible influence of ***/*** co-parasitism on the manifestation of leprosy and its clinical ***:Participants(n=291)were recruited in Campos dos Goytacazes city,Rio de Janeiro state,southeast Brazil,from August 2015 to december 2019 and clinically diagnosed for *** were selected based on the presence(patients)or absence(healthy controls)of the leprosy *** of patients were also recruited for this *** samples from patients(n=199)with leprosy,contacts(n=40)and healthy controls(n=52)were investigated for levels of IgM and IgG anti-phenolic glycolipid-1(PGL-1)by ***,IgG antibody against soluble Toxoplasma antigen(sTAg)was measured in sera samples from leprosy patients,contacts and healthy controls for Toxoplasma gondii serology by ***-PGL-1 IgG and IgM levels were compared using one-way ANOVA Kruskal-Wallis or Mann-Whitney,while spearman test was used to correlate levels of IgG anti-sTAg and IgM/IgG anti-PGL-1 from seropositive and seronegative individuals for *** *** risk of *** infection for leprosy disease was assessed using Fisher’s ***:Levels of IgM anti-PGL-1 antibodies were significantly higher in multibacillary(MB)patients compared to paucibacillary(PB)patients(P=0.0068).Higher IgM and IgG levels anti-PGL-1 were detected in patients with the lepromatous *** serologic prevalence for *** infection was 74.9%.We detected increased anti-sTAg antibody levels in leprosy patients(79.4%),reaching 88.8%within those with lepromatous form of this *** leprosy risk increase in *** seropositive individuals was two-fold(odds ratio[OR]=2.055;95% c

关键词： Leprosy Toxoplasmosis Coinfection Co-immunomodulation Immunoglobulins Immune response

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Role of sex hormones in gastrointestinal motility in pregnant and non-pregnant rats

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World Journal of Gastroenterology 2016年第25期22卷 5761-5768页

作者： Juliana Fernandes Matos Madileine Francely Americo yuri Karen sinzato Gustavo Tadeu Volpato Luciana Aparecida Corá Marcos Felipe Freitas Calabresi Ricardo Brandt oliveira debora Cristina Damasceno Jose Ricardo Arruda Miranda sao Paulo state University BotucatuSP 18618-970Brazil Instituto de Ciencias Biologicas e da saude Federal University of Mato GrossoBarra do GarcasMT 78600-000Brazil Universidade Estadual de Ciencias da saude de Alagoas MaceioAL 57010-300Brazil sao Paulo University Ribeirao PretoSP 14049-900Brazil

AIM: To correlate gastric contractility, gastrointestinal transit, and hormone levels in non-pregnant(estrous cycle) and pregnant rats using noninvasive techniques. METHODs: Female rats(n = 23) were randomly divided into(1) non-pregnant,(contractility, n =6; transit, n = 6); and(2) pregnant(contractility, n = 5; transit, n = 6). In each estrous cycle phase or at 0, 7, 14, and 20 d after the confirmation of pregnancy, gastrointestinal transit was recorded by AC biosusceptometry(ACB), and gastric contractility was recorded by ACB and electromyography. After each recording, blood samples were obtained for progesterone and estradiol determination. REsULTs: In the estrous cycle, despite fluctuations of sex hormone levels, no significant changes in gastrointestinal motility were observed. Days 7 and 14 of pregnancy were characterized by significant changes in the frequency of contractions(3.90 ± 0.42 cpm and 3.60 ± 0.36 cpm vs 4.33 ± 0.25 cpm) and gastric emptying(168 ± 17 min and 165 ± 15 min vs 113 ± 15 min) compared with day 0. On these same days, progesterone levels significantly increased compared with control(54.23 ± 15.14 ng/m L and 129.96 ± 30.52 ng/mL vs 13.25 ± 6.31 ng/mL). On day 14, we observed the highest level of progesterone and the lowest level of estradiol compared with day 0(44.3 ± 15.18 pg/mL vs 24.96 ± 5.96 pg/mL). CONCLUsION: Gastrointestinal motility was unaffected by the estrous cycle. In our data, high progesterone and low estradiol levels can be associated with decreased contraction frequency and slow gastric emptying.

关键词： Reproductive physiological process sex hormones Gastrointestinal motility Magnetic fields Gastric emptying

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FungalTraits:a user-friendly traits database of fungi and fungus-like stramenopiles

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Fungal Diversity 2020年第2期107卷 I0001-I0016页

作者： sergei Põlme Kessy Abarenkov RHenrik Nilsson Björn D.Lindahl Karina Engelbrecht Clemmensen Havard Kauserud Nhu Nguyen Rasmus Kjøller scott T.Bates Petr Baldrian Tobias Guldberg Frøslev Kristjan Adojaan Alfredo Vizzini Ave suija Donald Pfister Hans-Otto Baral Helle Järv Hugo Madrid Jenni Nordén Jian-Kui Liu Julia Pawlowska Kadri Põldmaa Kadri Pärtel Kadri Runnel Karen Hansen Karl-Henrik Larsson Kevin David Hyde Marcelo sandoval-denis Matthew E.smith Merje Toome-Heller Nalin N.Wijayawardene Nelson Menolli Jr Nicole K.Reynolds Rein Drenkhan sajeewa s.N.Maharachchikumbura Tatiana B.Gibertoni Thomas Læssøe William Davis yuri Tokarev Adriana Corrales Adriene Mayra soares Ahto Agan Alexandre Reis Machado Andrés Argüelles-Moyao Andrew detheridge Angelina de Meiras-Ottoni Annemieke Verbeken Arun Kumar Dutta Bao-Kai Cui C.K.Pradeep César Marín Daniel stanton Daniyal Gohar Dhanushka N.Wanasinghe Eveli Otsing Farzad Aslani Gareth W.Griffith Thorsten H.Lumbsch Hans-Peter Grossart Hossein Masigol Ina Timling Inga Hiiesalu Jane Oja John Y.Kupagme József Geml Julieta Alvarez-Manjarrez Kai Ilves Kaire Loit Kalev Adamson Kazuhide Nara Kati Küngas Keilor Rojas-Jimenez Krišs Bitenieks Laszlo Irinyi LászlóGNagy Liina soonvald Li-Wei Zhou Lysett Wagner M.Catherine Aime MaarjaÖpik María Isabel Mujica Martin Metsoja Martin Ryberg Martti Vasar Masao Murata Matthew PNelsen Michelle Cleary Milan C.samarakoon Mingkwan Doilom Mohammad Bahram Niloufar Hagh-Doust Olesya Dulya Peter Johnston Petr Kohout Qian Chen Qing Tian Rajasree Nandi Rasekh Amiri Rekhani Hansika Perera Renata dos santos Chikowski Renato L.Mendes-Alvarenga Roberto Garibay-Orijel Robin Gielen Rungtiwa Phookamsak Ruvishika s.Jayawardena saleh Rahimlou samantha C.Karunarathna saowaluck Tibpromma shawn P.Brown siim-Kaarel sepp sunil Mundra Zhu-Hua Luo Tanay Bose Tanel Vahter Tarquin Netherway Teng Yang Tom May Torda Varga Wei Li Victor Rafael Matos Coimbra Virton Rodrigo Targino de oliveira Vitor Xavier de Lima Vladimir s.Mikryukov Yongzhong Lu Yosuke Matsuda Yumiko Miyamoto Urm Institute of Ecology and Earth sciences University of Tartu14A Ravila50411 TartuEstonia Natural History Museum University of Tartu46 Vanemuise Str51003 TartuEstonia Gothenburg Global Biodiversity Centre Box 46140530 GothenburgSweden department of Biological and Environmental sciences University of GothenburgGothenburgSweden department of soil and Environment Swedish University of Agricultural SciencesBox 701475007 UppsalaSweden department of Forest Mycology and Plant Pathology Swedish University of Agricultural SciencesBox 702675007 UppsalaSweden section for Genetics and Evolutionary Biology(EvoGene) Department of BiosciencesUniversity of OsloP.O.Box 1066BlindernNO-0316 OsloNorway University of Hawaiʻi at Mānoa 3190 Maile WaySt.John 102HonoluluHIUSA department of Biology University of CopenhagenUniversitetsparken 152100 CopenhagenØDenmark Purdue University Northwest WestvilleIN 46391USA Institute of Microbiology Czech Academy of SciencesVidenska 108314220 Praha 4Czech Republic GLOBE Institute University of CopenhagenØster Farimagsgade 5KH7.2.321353 CopenhagenDenmark Dipartimento di scienze della Vita e Biologia dei sistemi Universitàdi TorinoViale Mattioli 2510125 TorinoItaly department of Organismic and Evolutionary Biology and Farlow Library and Herbarium Harvard University22 Divinity AveCambridgeMA 02138USA Blaihofstr.42 72074 TübingenGermany sYNLAB Estonia Veerenni 53aTallinn 11313Estonia Escuela de Tecnología Médica Universidad Santo TomásLos Carreras 753OsornoChile Centro de Genómica y Bioinformática Universidad MayorCamino La Pirámide 5750HuechurabaSantiagoChile Norwegian Institute for Nature Research(NINA) Sognsveien 680855 OsloNorway school of Life science and Technology University of Electronic Science and Technology of ChinaChengdu 611731People’s Republic of China Evolutionary Biology Faculty of BiologyBiological and Chemical Research CentreUniversity of Warsawul.Zwirki i Wigury 10102-089 WarsawPoland department of Botany Swedish Museum of

The cryptic lifestyle of most fungi necessitates molecular identification of the guild in environmental *** the past decades,rapid development and affordability of molecular tools have tremendously improved insights of the fungal diversity in all ecosystems and ***,in spite of the progress of molecular methods,knowledge about functional properties of the fungal taxa is vague and interpretation of environmental studies in an ecologically meaningful manner remains *** order to facilitate functional assignments and ecological interpretation of environmental studies we introduce a user friendly traits and character database FungalTraits operating at genus and species hypothesis *** the information from previous efforts such as FUNGuild and FunFun together with involvement of expert knowledge,we reannotated 10,210 and 151 fungal and stramenopila genera,*** resulted in a stand-alone spreadsheet dataset covering 17 lifestyle related traits of fungal and stramenopila genera,designed for rapid functional assignments of environmental *** order to assign the trait states to fungal species hypotheses,the scientific community of experts manually categorised and assigned available trait information to 697,413 fungal ITs *** the basis of those sequences we were able to summarise trait and host information into 92,623 fungal species hypotheses at 1%dissimilarity threshold.

关键词： Fungal traits Trophic modes Function Guild Bioinformatics High-throughput sequencing Community ecology

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decline in subarachnoid haemorrhage volumes associated with the first wave of the COVID- 19 pandemic

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stroke & Vascular Neurology 2021年第4期6卷 542-552,I0026-I0032页

作者： Thanh N Nguyen Diogo C Haussen Muhammad M Qureshi Hiroshi Yamagami Toshiyuki Fujinaka Ossama Y Mansour Mohamad Abdalkader Michael Frankel Zhongming Qiu Allan Taylor Pedro Lylyk Omer F Eker Laura Mechtouff Michel Piotin Fabricio oliveira Lima Francisco Mont'Alverne Wazim Izzath Nobuyuki sakai Mahmoud Mohammaden Alhamza R Al-Bayati Leonardo Renieri salvatore Mangiafico David Ozretic Vanessa Chalumeau saima Ahmad Umair Rashid syed Irteza Hussain seby John Emma Griffin John Thornton Jose Antonio Fiorot Rodrigo Rivera Nadia Hammami Anna M Cervantes-Arslanian Hormuzdiyar H Dasenbrock Huynh Le Vu Viet Quy Nguyen steven Hetts Romain Bourcier Romain Guile Melanie Walker Malveeka sharma Don Frei Pascal Jabbour Nabeel Herial Fawaz Al-Mufti Atilla Ozcan Ozdemir Ozlem Aykac Dheeraj Gandhi Chandril Chugh Charles Matouk Pascale Lavoie Randall Edgell Andre Beer-Furlan Michael Chen Monika Killer-Oberpfalzer Vitor Mendes Pereira Patrick Nicholson Vikram Huded Nobuyuki Ohara Daisuke Watanabe Dong Hun shin Pedro sC Magalhaes Raghid Kikano santiago Ortega-Gutierrez Mudassir Farooqui Amal Abou-Hamden Tatsuo Amano Ryoo Yamamoto Adrienne Weeks Elena A Cora Rotem sivan-Hoffmann Roberto Crosa Markus Möhlenbruch simon Nagel Hosam Al-Jehani sunil A sheth Victor s Lopez Rivera James E siegler Achmad Fidaus sani Ajit s Puri Anna Luisa Kuhn Gianmarco Bernava Paolo Machi Daniel G Abud Octavio M Pontes-Neto Ajay K Wakhloo Barbara Voetsch Eytan Raz shadi Yaghi Brijesh P Mehta Naoto Kimura Mamoru Murakami Jin soo Lee Ji Man Hong Robert Fahed Gregory Walker Eiji Hagashi steve M Cordina Hong Gee Roh Ken Wong Juan F Arenillas Mario Martinez-Galdamez Jordi Blasco Alejandro Rodriguez Vasquez Luisa Fonseca M Luis silva Teddy Y Wu simon John Alex Brehm Marios Psychogios William J Mack Matthew Tenser Tatemi Todaka Miki Fujimura Roberta Novakovic Jun deguchi yuri sugiura Hiroshi Tokimura Rakesh Khatri Michael Kelly Lissa Peeling Yuichi Murayama Hugh stephen Winters Johnny Wong Mohamed Teleb Jeremy Payne Hiroki Fukuda Kosuke Miyake Junsuke shimbo Yusuke sug Neurology RadiologyBoston Medical CenterBostonMassachusettsUSA Neurology Marcus Stroke&Neuroscience CenterGrady Memorial HospitalEmory University School of MedicineAtlantaGAUSA Radiology Radiation OncologyBoston University School of MedicineBostonMassachusettsUSA Neurology National Hospital Organization Osaka National HospitalOsakaJapan Neurosurgery National Hospital Organization Osaka National HospitalOsakaJapan Neurology Alexandria UniversityAlexandriaEgypt Radiology Boston Medical CenterBostonMassachusettsUSA department of Neurology Xinqiao HospitalChongqingChina Neurosurgery University of Cape TownRondeboschWestern CapeSouth Africa Neurosurgery Interventional NeuroradiologyClinica La Sagrada FamiliaBuenos AiresArgentina Neuroradiologie Neurologie VasculaireHospices Civils de LyonLyonAuvergne-Rhône AlpesFrance Neurologie Vasculaire Hospices Civils de LyonLyonAuvergne-Rhône AlpesFrance Interventional Neuroradiology Fondation Ophtalmologique Adolphe de RothschildParisÎle-de FranceFrance Neurology Hospital Geral de FortalezaFortalezaBrazil Interventional Neuroradiology Hospital Geral de FortalezaFortalezaBrazil Neuroradiology Nottingham University Hospitals NHS TrustNottinghamUK department of Neurosurgery Kobe City Medical Center General HospitalKobeHyogoJapan Interventional Neurovascular Unit University Hospital CareggiFirenzeToscanaItaly Neuroradiology University Hospital Centre ZagrebZagrebCroatia Interventional Neuroradiology Hopital BicetreLe Kremlin-BicetreFrance stroke and Interventional Neuroradiology Lahore General HospitalLahorePakistan Neurological Institute Cleveland Clinic Abu DhabiAbu DhabiUAE department of Radiology Beaumont HospitalDublinIreland Neurology Stroke UnitHospital-Estadual CentralVitoriaBrazil Neuroradiology Instituto de Neurocirugia Dr AsengoSantiagoChile Interventional Neuroradiology Institut National de NeurologieTunisTunisia Neurology Boston Medical CenterBostonMassachusettsUSA Neurosurgery Boston Medical Center

Background During the COVID-19 pandemic,decreased volumes of stroke admissions and mechanical thrombectomy were *** study’s objective was to examine whether subarachnoid haemorrhage(sAH)hospitalisations and ruptured aneurysm coiling interventions demonstrated similar *** We conducted a cross-sectional,retrospective,observational study across 6 continents,37 countries and 140 comprehensive stroke *** with the diagnosis of sAH,aneurysmal sAH,ruptured aneurysm coiling interventions and COVID-19 were identified by prospective aneurysm databases or by International Classification of Diseases,10th Revision,*** 3-month cumulative volume,monthly volumes for sAH hospitalisations and ruptured aneurysm coiling procedures were compared for the period before(1 year and immediately before)and during the pandemic,defined as 1 March-31 May *** prior 1-year control period(1 March-31 May 2019)was obtained to account for seasonal *** There was a significant decline in sAH hospitalisations,with 2044 admissions in the 3 months immediately before and 1585 admissions during the pandemic,representing a relative decline of 22.5%(95%CI−24.3%to−20.7%,psation of ruptured aneurysms declined with 1170-1035 procedures,respectively,representing an 11.5%(95%CI−13.5%to−9.8%,p=0.002)relative *** analysis was noted for aneurysmal sAH hospitalisation decline from 834 to 626 hospitalisations,a 24.9%relative decline(95%CI−28.0%to−22.1%,pse in ruptured aneurysm coiling was noted in low coiling volume hospitals of 41.1%(95%CI 32.3%to 50.6%,p=0.008)despite a decrease in sAH admissions in this *** There was a relative decrease in the volume of sAH hospitalisations,aneurysmal sAH hospitalisations and ruptured aneurysm embolisations during the COVID-19 *** findings in sAH are consistent with a decrease in other emergencies,such as stroke and myocardial infarction.

关键词： diagnosis representing subarachnoid

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