Recent Papers - Machine Learning Special Issue
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Leishmania donovani is a human blood parasite responsible for visceral leishmaniasis. Quantitative structure-activity relationship analysis and molecular docking studies were applied to a series of Leishmania donovani N-myristoyltransferase inhibitors and three new compounds were proposed. Details are presented in the Article Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis by Letícia Santos-Garcia, Daniela R. Silva, Letícia C. Assis, Tamiris M. de Assis, Giovanna C. Gajo, Italo Antônio Fernandes, Teodorico C. Ramalho and Elaine F. F. da Cunha on page 1440.
Letícia Santos-Garcia; Daniela R. Silva; Letícia C. Assis; Tamiris M. de Assis; Giovanna C. Gajo; Italo Antônio Fernandes; Teodorico C. Ramalho; Elaine F. F. da Cunha
How to cite this articleLeishmania donovani is a human blood parasite responsible for visceral leishmaniasis. Quantitative structure-activity relationship analysis and molecular docking studies were applied to a series of Leishmania donovani N-myristoyltransferase inhibitors and three new compounds were proposed. Details are presented in the Article Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship Analysis by Letícia Santos-Garcia, Daniela R. Silva, Letícia C. Assis, Tamiris M. de Assis, Giovanna C. Gajo, Italo Antônio Fernandes, Teodorico C. Ramalho and Elaine F. F. da Cunha on page 1440.
Alessandra T. Campos; Cristina M. Quintella; Marilena Meira; Saionara Luna
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Light emitting diode (LED)-induced fluorescence equipment was used in the biodiesel/diesel/sulfur sample readings and after the analysis the data treatment was done using partial least squares (PLS).
Peng Wang; Xihua Du; Wenchang Zhuang; Keying Cai; Jing Li; Yan Xu; Yingmei Zhou; Kai Sun; Shuyao Chen; Xiaoli Li; Yisheng Tan
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Copper promotes the reduction of CoO and forms Cu0–Co0 active sites; in addition to this center, Co0–Co2+ is also the center for high alcohols synthesis and Co2+ site favor alcohols yields. Excellent C2+ alcohols selectivity is got over the catalyst with weight ratio of Cu/Co = 1.
Joao M. G. O. Ferreira; Joao B. M. de Resende Filho; Poliane K. Batista; Ercules E. S. Teotonio; Juliana A. Vale
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The uncatalyzed Knoevenagel condensation between aldehydes and different compounds with active methylene was performed under new conditions using a mixture of ethanol/water (3:7, v/v), showing a good isolated yields in a short reaction time.
Adriani P. Damiani; Paula Rohr; José L. Westrup; Rodrigo C. Duarte; Luiza M. Longaretti; Bruna M. da Rocha; Giulia Strapazzon; Lara C. Venturini; Emanuel Souza; Claus T. Pich; Tiago E. A. Frizon; Vanessa M. de Andrade; Fabiano S. Rodembusch; Alexandre G. Dal-Bó
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The 2,1,3-benzothiadiazole compound can be used safely in manufacturing as a dye for paints and photovoltaic devices.
Gabriel F. Pinto; Diogo L. Rocha; Eduardo M. Richter; Rodrigo A. A. Muñoz; Sidnei G. da Silva
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A multicommuted flow system for spectrophotometric determination of formaldehyde in mushroom based on the Hantzsch reaction (λmax = 412 nm) is reported with a detection limit of 0.02 mg L-1, sample throughput of 17 h-1 and reduced chemical waste.
Daniel Barragán; Pablo A. Ochoa-Botache
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Transition between chemical and thermokinetic oscillations mediated by a stoichiometric bifurcation parameter in a hypothetical biological context: muscle fatigue and possible ATP thermosynthesis.
Herbert Aleixo; Leonardo L. Okumura; Astréa F. S. Silva; Alexandre Gurgel; Juliana A. Diniz
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A new method for analysis of the antimicrobial oxolinic acid (OXA) in untreated water was developed using carbon paste electrode.
Donaldo Fabio Mercado; Richard G. Weiss
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Introduction of zero-valent iron nanoparticles into amino-polydimethylsiloxane based materials allows easy recovery of the particles while maintaining their reactivity toward the dehalogenation of environmental pollutants.
Letícia Santos-Garcia; Daniela R. Silva; Letícia C. Assis; Tamiris M. de Assis; Giovanna C. Gajo; Italo Antônio Fernandes; Teodorico C. Ramalho; Elaine F. F. da Cunha
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Proposed N-myristoyltransferase (NMT) inhibitors of Leishmania donovani anchored in the active site of the enzyme.
Aihong Yang; Shun Zhang; Lei Zhang; Jingjing Zhong; Xiaodi Kou
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Traditional Chinese medicine injections were analyzed based on an ionic liquid column. U-Shape plots of retention factors vs. mobile phase constitutions were obtained and mixed-mode chromatography was applied for this kind of complex system.
Suzana F. Ferrarini; Ariela M. Cardoso; Luisa Alban; Marçal J. R. Pires
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Comparison between the two processes via: (i) assessment of the process of Si, Al and contaminants in the extracts, zeolitic, products and effluents, (ii) cation exchange capacity and purity, and (iii) reaction yields and percentage of Si and Al incorporated into zeolites, among others.
Yang Shuangyan; Hou Ying; Yang Lingchun; Zhang Jianqiang; Liu Weijuan; Qiu Changgui; Li Ming; Yang Yanmei
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The combination of near-infrared (NIR) spectroscopy and deep learning algorithm is a promising classification tool of discriminating different categories of objects.
Sijing Zhang; Yongliang Ji; Fengjiao Ao; Yongping Wang; Junxue Zhao; Shuangli Chen
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DMTD-PT, a persimmon tannin (PT)-based and 2,5-dimercapto-1,3,4-thiadiazole (DMTD) grafted biosorbent, showed the better selectivity for AuIII over coexisting base metal ions in aqueous solution.
Marcela C. B. G. Nilo; Thais G. Simoes; Claudio Costa Neto
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Bar spectra and coincidence indexes establish new horizons for the infrared spectroscopy of solids. Polymorphs are precisely detected and quantified. This method may become an important tool for studying polymorphs in active pharmaceutical ingredients (APIs).
Xue Huang; Yaoqi Yin; Buning Zhang; Guangzhu Feng
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After one-step and two-step intercalations, the structure and properties of montmorillonite (MMT) affect the formation of dimer acids by the dimerization of unsaturated fatty acids.
Eliane R. Januário; Ana F. Nogueira; Heloise O. Pastore
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Solar fuels were obtained from CO2 and H2O photoreduction using ETS-10/CuxO as photocatalyst.
Ana C. B. A. Santana; Marta V. A. Santana; Pedro A. P. Pereira
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In this work, a method was developed, based on dispersive liquid-liquid microextraction (DLLME)-ultra-fast liquid chromatography coupled to diode array detector (UFLC-DAD), to simultaneously determine ten antibiotics in honey and for studying their degradation kinetics.
Otávio A. Chaves; Romulo C. Ferreira; Lorrayne S. da Silva; Bruna C. E. de Souza; Dari Cesarin-Sobrinho; José Carlos Netto-Ferreira; Carlos M. R. Sant'Anna; Aurélio B. B. Ferreira
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Benznidazole (BZL), metronidazole (MTZ), nifurtimox (NFX) and megazol (MZ) can be carried in the human bloodstream by human serum albumin (HSA). NFX showed differences in the thermodynamic parameters; the presence of the 1,3,4-thiadiazole group in the MZ structure results in better interaction with HSA.
Li Wang; Wen-Ting Li; Wen-Juan Qu; Yan-Qing Fan; Hong Yao; Qi Lin; Tai‑Bao Wei; You-Ming Zhang
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A water soluble fluorescent chemosensor (DA) was successfully synthesized. It could fluorescent detect CN- with high selectivity and sensitivity in pure water via an intramolecular charge transfer to twisted intramolecular charge transfer (ICT-TICT) state change mechanism.
Fernanda C. Pinheiro; Rodolfo Lorençatto; Ariane I. Barros; Clarice D. B. Amaral; Joaquim A. Nóbrega
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Determination of 25 elements in fresh and sea water by inductively coupled plasma mass spectrometry (ICP-MS) in order to support four Brazilian regulations. High matrix introduction (HMI) system allowed sea water analysis with only 2-fold dilution.
Mariana Z. G. Fornazier; Tatiani B. Nascimento; Vinicius B. Marques; Tatiana D. Saint'Pierre; Dalton Vassalo; Geisamanda P. Brandao; Leonardo dos Santos; Maria T. W. D. Carneiro
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In this work we evaluated the mercury biodistribution after different doses of HgCl2. Mercury was deposited preferentially in some tissues while the blood levels remained practically constant. Therefore, it is suggested that blood mercury monitoring is relevant only when the tissues turn saturated.
Maria F. C. da Silva Neta; Ana C. F. de Lyra; Sarah A. R. Soares; Josué C. C. Santos; Daniela S. Anunciaçao
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Estimation of phosphorus distribution in orange juice by different sample treatment strategies including fractioning in function of its particle size and charge.
Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
JBCS Editorial and Publishing Office
University of Campinas - UNICAMP
13083-970 Campinas-SP, Brazil
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