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Calculations of Optical Rotation from density Functional Theory

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Chinese Physics Letters 2007年第5期24卷 1207-1209页

作者： Antǒnio Canal neto francisco Elias Jorge departamento de Fisica Universidade Federal do Espírito Santo 29060-900 Vitória ES Brazil

density function theory calculations of frequency-dependent optical rotations [α]ω for three rigid chiral molecules are reported. Calculations have been carried out at the sodium D line frequency, using the ADZP basis set and a wide variety of functionals. Gauge-invariant atomic orbitals are used to guarantee origin-independent values of [ω]D. In addition, study of geometry dependence of [ω]D is reported. Using the geometries optimized at the B3LYP/ADZP level, the mean absolute deviation of B3LYP/ADZP and experimental laiD values yields 60.1°/（dm g/cm^3）. According to our knowledge, this value has not been achieved until now with any other model.

关键词： MOLECULAR WAVE-FUNCTIONS BASIS-SETS MP2 HF

Recovery of polyphenols from camu-camu(Myrciaria dubia ***)depulping residue by cloud point extraction

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Chinese Journal of Chemical Engineering 2018年第12期26卷 2471-2476页

作者： Carlos Eduardo de araujo Padilha Juliana Chris Silva de Azevedo francisco Caninde de Sousa Junior Sergio Dantas de Oliveira Junior Domingos Fabiano de Santana Souza Jackson araujo de Oliveira Gorete Ribeiro de Macedo Everaldo Silvino dos Santos Laboratory of Biochemical Engineering Chemical Engineering department Federal University of Rio Grande do Notre(UFRN)NatalRNBrazil Laboratory of Food Bioactive Compounds and Dairy Technology Chemical Engineering DepartmentFederal University of Rio Grande do Notre(UFRN)NatalRNBrazil

In this study the potential of cloud point extraction formed by a non-ionic surfactant was used in order to separate polyphenols from industrial residues of camu-camu. The effects of operational conditions of the cloud point extraction(CPE) on the polyphenol recovery and volumetric ratio were investigated. The results showed a maximum recovery of 95.71% that was obtained using 7.0 wt% Triton X-114, native pH(3.25), and 80 wt%polyphenol extract at 30 °C. The use of cloud point extraction was successful to recover the polyphenols from agroindustrial residue since it is a simple as well as of low-cost technique.

关键词： Cloud point extraction Recovery Polyphenols Camu-camu depulping residue

Vibrio *** Macrobrachium amazonicum prawn farming are inhibited by Moringa oleifera extracts

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Asian Pacific Journal of Tropical Medicine 2015年第11期8卷 899-902页

作者： Raimunda Samia Nogueira Brilhante Jamille Alencar Sales Celia Maria de Souza Sampaio francisco Geraldo barbosa Manoel de araujo neto Paiva Glaucia Morgana de Melo Guedes Lucas Pereira de Alencar Yago Brito de Ponte Tereza de Jesus Pinheiro Gomes Bandeira Jose Luciano Bezerra Moreira debora de Souza Collares Maia Castelo-Branco Waldemiro de Aquino Pereira-neto Rossana de Aguiar Cordeiro Jose Julio Costa Sidrim Marcos Fabio Gadelha Rocha department of Pathology and Legal Medicine Postgraduate Program in Medical MicrobiologySpecialized Medical Mycology CenterFederal University of Ceara School of Veterinary Medicine Postgraduate Program in Veterinary SciencesState University of Ceara department of Organic and Inorganic Chemistry Federal University of Ceara

Objective:To investigate the in vitro antimicrobial potential of extracts of stem,leaves,flowers,pods and seeds of Moringu okifera(***) against Vibrio *** hatchery water and the prawn Mmrobrachium ***:The ethanol extracts of stem,leaves,pods and seeds and chloroform extract of flowers of *** were tested against Vibrio cholerue(***) serogroups non-O1/non-O139(n=4).Vibrio vulnificus(n=l) and Vibrio mimicus(n=1).Escherichia coli(***)(ATCC(?) 25922) was used as quality *** species were obtained from Macmbrachium amazonicum prawns and from hatchery water from prawn *** Minimum Inhibitory Concentration(MIC) was determined by broth microdilution ***:The best result was obtained with the ethanol extract of pods,which inhibited three strains of the ***,Vibrio vulnificus,Vibrio minimis and ***(MIC range 0.312-5.000 mg/mL).The chloroform extract of flowers was effective against all *** strains and ***(MIC range 0.625-1.250 mg/mL).However,the ethanol extracts of stem and seeds showed low effectiveness in inhibiting the bacterial ***:The extracts of pods,flowers and leaves of *** have potential for the control of Vibrio *** studies are necessary to isolate the bioaetive compounds responsible for this antimicrobial activity.

关键词： Prawn Macrobrachium amazonicum Moringa oleifera Vi

CFD predictions for hazardous area classification

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Chinese Journal of Chemical Engineering 2019年第1期27卷 21-31页

作者： Andrey Oliveira de Souza Aurélio Moreira Luiz Ant?nio Tavernard Pereira neto Ant?nio Carlos Brandao de araujo Heleno Bispo da Silva Sidinei Kebler da Silva Jose Jailson Nicacio Alves Federal Institute of Education Science and Technology of Paraiba Petrobras-Petróleo Brasileiro S.A. Federal University of Campina Grande

This study aimed to describe a Computational Fluid Dynamics(CFD) procedure using the ANSYS CFX software 16.1 and design of Experiments for the determination of volume and extension of explosive atmospheres due to fugitive emissions of flammable *** multidimensional statistical sampling technique Latin Hypercube was used, which defined 100 simulations of random methane gas leak *** CFD model proved to be robust in predicting the extension and volume of the explosive atmosphere for orifice diameters from 0.1 to2.5 mm, pressure from 0.1 MPa to 12 MPa and temperatures from 0 ℃ to 400 ℃.It was found that the calculation domain must be parameterized 8 m in length for each millimeter of the diameter of the source of release to ensure the *** order not to lose precision for very small diameters, the mesh was parameterized with 50 elements along the orifice *** was proved that gravity does not influence the extension and volume of the explosive atmosphere at sonic *** deviation from the ideal gas behavior in the reservoir,achieved by applying the Soave–Redlich–Kwong equation of state, also has not significantly influenced the extension and volume of the explosive *** results showed that the size of the explosive atmosphere varies directly with the diameter of the source emission and reservoir pressure, and inversely with the temperature of the *** diameter of the source is the parameter that has the major effect on the extension of the explosive atmosphere, followed by the pressure and lastly the temperature of the reservoir.

关键词： Computational Fluid Dynamics Computer simulation Safety Fugitive emissions Classified area Flammable gas cloud

Spatial and temporal distribution of American cutaneous leishmaniasis in Acre state,Brazil

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Infectious Diseases of Poverty 2017年第1期6卷 891-899页

作者： Leonardo Augusto Kohara Melchior Andreia Fernandes Brilhante francisco Chiaravalloti-neto Biological and Nature Science Center Federal University of AcreRio BrancoACBrazil School of Public Health University of Sao PauloSao PauloSPBrazil department of Epidemiology School of Public HealthUniversity of Sao PauloSao PauloSPBrazil departamento de Epidemiologia Faculdade de Saude PublicaUniversidade de Sao PauloAv.Dr.Arnaldo715CEP 01246-904Sao PauloSPBrazil

Background:Acre has reported the highest incidence of American cutaneous leishmaniasis(ACL)in Brazil in recent *** present study seeks to identify high and low risk agglomerations of ACL in space and space-time during the period from 2007 to 2013 in Acre,and also to characterize the occurrence of the disease in time and according to sociodemographic ***:This is an ecological study,the study population of which consisted of autochthonous ACL cases notified in the municipalities of Acre by an epidemiological surveillance *** statistics of SaTScan^(TM)software were used to identify spatial and space-time *** addition,the cases were characterized by sex,age,home situation(in a rural or urban area),and temporal ***:Acre reported an incidence rate of 12.4 cases per 10000 inhabitant-years in the study period,with the rates varied greatly(standard deviation of 21.8)among their 22 *** agglomeration of high risk and three of low risk were detected in space and *** of the five micro-regions of Acre presented a stationary temporal *** profile of transmission varied according to the *** speaking,the disease occurred more often among young people,those of male gender,and those living in rural ***:Acre has stood out within the Brazilian national context due to its high rates of ACL incidence in the central region of the Acre *** high rates in the micro-region of Brasileia are related to the disease’s intra/peridomiciliary occurrence,and it would seem that the municipality of Sena Madureira is approaching a transmission pattern similar to that of *** other micro-regions,the profile of the disease’s transmission is mainly related to the forest/sylvatic cycle of ACL.

关键词： Cutaneous leishmaniasis Geographical information system Spatial analysis Scan statistics Acre Brazil

Rigid foam polyurethane （PU） derived from castor oil （Ricinus communis） for thermal insulation in roof systems

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Frontiers of Architectural Research 2012年第4期1卷 348-356页

作者： Grace Tiberio Cardoso Salvador Claro neto francisco Vecchia Engineering School of sao Carlos University of Sao Paulo Sao Carlos Brazil Chemistry Institute of Sao Carlos University of Sao Paulo Sao Carlos Brazil

This paper discusses the response of the thermal insulation Lining of rigid foam potyurethane （PU） derived from castor oil （Ricinus communis） in heat conditions, based on dynamic climate approach. Liners have been widely used, because the coverage of buildings is responsible for the greatest absorption of heat by radiation, but the use of PU foam deMved from this vegetal oil is unprecedented and has the advantage of being biodegradable and renewable. The hot wire paraLleL method provided the thermal conductivity vatue of the foam. The thermo- gravimetric analysis enabled the study of the foam decomposition and its Lifetime by kinetic evaLuation that involves the decomposition process. The PU foam thermal behavior analysis was performed by coLlecting experimental data of internal surface temperature measured by thermocouples and assessed by representative episode of the climatic fact. The results Lead to the conclusion that the PU foamderived from castor oit can be applied to thermat insulation of roof systems and is an environmentaLLy friendly materiaL.

关键词： Rigid foampolyurethane Ricinus communis Biodegradable Thermal behavior Heat insulation in roofsystems

Comparative Analysis of Gas Emissions from a Vehicle Running on Ethanol and Natural Gas Fuel

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Journal of Mechanics Engineering and Automation 2014年第7期4卷 595-600页

作者： Raphael araujo de Holanda Gil Colona Laranja Cleiton Rubens Formiga barbosa francisco de Assis Oliveira Fontes Cleiton Rubens Formiga barbosa Junior department of Mechanical Engineering Federal University of Rio Grande do Norte Natal/RN 59072-970 Brazil

It is known that the transport sector has a fundamental importance in the modem society, as the economic development is directly linked to mobility. Over the years, the transport became linked to different environmental problems, which can be detached greenhouse gases emissions in the atmosphere, where in recent decades can be perceived the intensification and targeting of efforts in research and development of new technologies to reduce the levels of greenhouse gases emissions in the atmosphere. In this context, it can be highlighted the modem systems of electronic engine management, new automotive catalysts and the use of renewable fuels which contribute to reducing the environmental impact. This research had, as its purpose, the analysis of fuels characteristics used for testing, comparative analysis of gas emissions from a motor vehicle running on ethanol or natural gas fuels according to NBR 6601 and conducting tests to estimate the maximum catalytic efficiency. For the implementation of trial, a flex vehicle was installed in a chassis dynamometer equipped with a gas analyzer, in order that before the completion of the urban driving cycle, were determined the content of hydrocarbons corrected, carbon monoxide corrected, carbon dioxide and oxygen present in gas emissions from the engine. The research concluded that： the performance analysis for characterization of fuel showed consistent with ANP specifications; after tests performances, it can be stated that natural gas fuel was the fuel which had the highest content of hydrocarbons and carbon monoxide corrected, while ethanol had the highest amount of carbon dioxide and oxygen residue present in gas emissions; before a comparative analysis, the vehicle catalyst showed the best performance for reducing the content of hydrocarbon corrected present in exhaustion gases when it worked with natural gas fuel and showed maximum efficiency of 100% to reduce the content of carbon monoxide corrected for both fuels. Before

关键词： Gas emissions ethanol natural gas fuel NBR 6601 catalytic efficiency.

Characterization of Cnidoscolus quercifolius Pohl bark root extract and evaluation of cytotoxic effect on human tumor cell lines

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Asian Pacific Journal of Tropical Biomedicine 2018年第7期8卷 345-351页

作者： Paulo Fernando Machado Paredes Selene Maia de Morais Fernando Cesar Rodrigues Brito Luiz francisco Wemmenson Goncalves Moura Patricia de araujo Rodrigues Stephen Rathinaraj Benjamin francisco Ernani Alves Magalhaes Eridan Orlando Pereira Tramontina Florean Maria Izabel Florindo Guedes Northeast Biotechnology Network Graduate Program of Biotechnology State University of Ceara Itaperi campus department of Chemistry State University of Ceara Itaperi campus Laboratory of Bioprospecting of Natural Products and Biotechnology State University of CearaCECITEC

Objective: To evaluate the chemical components of active extract from Cnidoscolus quercifolius root bark and its cytotoxic potential against several tumor strains. Methods: The high-performance liquid chromatography with diode-array detection and ~1H and ^(13)C nuclear magnetic resonance spectroscopy of the extract were used to distinguish the existence of possible functional groups in the root bark extract. The in vitro cytotoxic activity of methanol extract on human colon cancer cell lines was evaluated using OVCAR-8, SF-295, HCT-116, HL-60 strains and the samples were assessed by 3-(4,5-dimethylthiazol2-yl)-2,5-diphenyltetrazolium bromide method. Results: The analysis of nuclear magnetic spectra of the active chloroform fraction revealed the presence of absorptions bands correspondent to a mixture of favelines such as neofavelanone, deoxofaveline or methyl-faveline, which structures were confirmed by ultraviolet spectra upon high-performance liquid chromatography with diode-array detection analysis. The active fraction showed cytotoxic effects in the tested strains, HCT-116, SF-295, OVCAR-8 and HL-60 cells with IC_(50) of 72 hours ranging from 4.95 to 15.23 μg/mL. Conclusions: The results suggest that the substances present in faveleira(Cnidoscolus quercifolius) root bark extract have a cytotoxic potential against several tumor lines, showing a broader antitumour potential, and in addition no adverse to healthy cells. Therefore, the root bark extract of Cnidoscolus quercifolius has a possibility of use for anticarcinogenic therapies.

关键词： Cnidoscolus quercifolius Pohl. methyl-faveline deoxofaveline Neofavelanone Faveline Cytotoxicity

Are there differences in anaerobic relative muscle power between upper and lower limbs in adolescent swimmers:A blinded study

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Sports Medicine and Health Science 2023年第4期5卷 290-298页

作者： Paulo francisco de Almeida-neto Adam Baxter-Jones Jason Azevedo de Medeiros Paulo Moreira Silva Dantas Breno Guilherme de Araújo Tinoco Cabral Health Sciences Center Federal University of Rio Grande do NorteUFRNNatalRNBrazil department of Physical Education Federal University of Rio Grande do NorteUFRNNatalRNBrazil College of Kinesiology University of SaskatchewanSaskatoonSKS7N 5B2Canada

Success in speed swimming depends on the efficiency of the anaerobic system for the production of cellular energy,especially during muscle power *** the adolescent athletes much is unknown with regards to the relationships between relative power of upper and lower limbs with speed swimming *** aim the present study was to identify differences in relative muscle power of upper and lower limbs in adolescent swimmers and relate these to speed swimming *** adolescents,of both sexes(50%female,50%male,30 swimmers and 30 controls),were *** relative upper limb power(ULP[W/kg])was assessed by a medicine ball test and the relative lower limbs power(LLP[W/kg])by a jump test on a jumping *** mass of the upper and lower limbs was assessed by dual-energy X-ray absorptiometry(DXA)(g).Sport performance was assessed during national level competition(50-m swimming time[in seconds]).Biological maturation(BM)was indexed by years from attainment of peak height ***(W/kg)was higher than LLP(W/kg)in both groups(pded that ULP(W/kg)is higher than LLP(W/kg)in adolescent *** and lower limb lean mass and BM were both positively associated with increased ULP(W/kg)and LLP(W/kg).

关键词： Performance Sport Swimming Biological maturation