Ricardo Oliveira Silva

Characterization of a biosurfactant produced by Pseudomonas cepacia CCT6659 in the presence of industrial wastes and its application in the biodegradation of hydrophobic compounds in soil

The bacterium Pseudomonas cepacia CCT6659 cultivated with 2% soybean waste frying oil and 2% corn steep liquor as substrates produced a biosurfactant with potential application in the bioremediation of soils. The biosurfactant was classified as an anionic biomolecule composed of 75% lipids and 25% carbohydrates. Characterization by proton nuclear magnetic resonance ((1)H and (13)C NMR) revealed the presence of carbonyl, olefinic and aliphatic groups, with typical spectra of lipids. Four sets of biodegradation experiments were carried out with soil contaminated by hydrophobic organic compounds amended with molasses in the presence of an indigenous consortium, as follows: Set 1-soil+bacterial cells; Set 2-soil+biosurfactant; Set 3-soil+bacterial cells+biosurfactant; and Set 4-soil without bacterial cells or biosurfactant (control). Significant oil biodegradation activity (83%) occurred in the first 10 days of the experiments when the biosurfactant and bacterial cells were used together (Set 3), while maximum degradation of the organic compounds (above 95%) was found in Sets 1-3 between 35 and 60 days. It is evident from the results that the biosurfactant alone and its producer species are both capable of promoting biodegradation to a large extent.

Hepatitis C virus infection diagnosis using metabonomics

Summary.  Metabonomics based on nuclear magnetic resonance (NMR) can reveal the profile of endogenous metabolites of low molecular weight in biofluids related to disease. The profile is identified a ‘metabolic fingerprint’ like from the pathological process, why this metabonomics has been used as a diagnostic method. The aim of the present study was to apply metabonomics to identify patients infected with the hepatitis C virus (HCV) through an analysis of 1H NMR spectra of urine samples associated with multivariate statistical methods. A pilot study was carried out for the diagnostic test evaluation, involving two groups: (i) 34 patients positive for anti‐HCV and HCV‐RNA and negative for anti‐HBc (disease group); and (ii) 32 individuals positive for anti‐HBc and negative for HBsAg and anti‐HCV. The urine samples were analyzed through 1H NMR, applying principal component analysis and discriminant analysis for classification. The metabonomics model was capable of identifying 32 of the 34 patients in the disease group as positive and 31 of the 32 individuals in the control group as negative, demonstrating 94% sensitivity and specificity of 97% as well as positive and negative predictive values of 97% and 94%, respectively, and 95% accuracy (P < 0.001). In conclusion, the metabonomics model based on 1H NMR spectra of urine samples in this preliminary study discriminated patients with HCV infection with high sensitivity and specificity, thereby demonstrating this model to be a potential tool for use in medical practice in the near future.

1H, 13C, 19F and 11B NMR spectral reference data of some potassium organotrifluoroborates

Complete 1H, 13C, 19F and 11B NMR spectral data for 28 potassium organotrifluoroborates are described. The resonance for the carbon bearing the boron atom is described for most of the studied compounds. A modified 11B NMR pulse sequence was used and better resolution was observed allowing the observation of 11B–19F coupling constants for some of the studied compounds. Copyright

Synthesis and hypolipidemic activity of N-substituted phthalimides. Part V☆

A series of N-aryl- or N-(1,2,4-triazol-yl)-phthalimides (4a-4i) have been synthesized starting from phthalic anhydride (1) and an appropriate amine (2a-2i). All compounds presented hypolipidemic activity, but compound 4d proved to be the most active and reduced plasma cholesterol and triglyceride levels in Swiss white mice significantly.

Differentiation and assignment of vinyl telluride regioisomers by 1H-125Te gHMBC

Complete 1H, 13C, and 125Te NMR spectral data for some vinyl tellurides are described. The 1H–125Te gHMBC experiment was used for the complete chemical shift assignment and structure elucidation of a mixture of regioisomers. The assignment (125Te NMR) and coupling constants (JH,H) for all regioisomers are described for the first time. Copyright

Synthesis of novel [3,1]-benzothiazepine and [3,1]-benzoxazepine derivatives with antitumoral activity

A new method for the synthesis of [3,1]-benzothiazepines and [3,1]-benzoxazepines from the reaction of C-allylanilines and isothiocyanates or isocyanates without the need for the isolation of any intermediate is described. The compounds were obtained in good to moderate yields and some exhibited cytotoxic activity against tumor cell lines.

Conventional and microwave-assisted reaction of N-hydroxymethylphthalimide with arylamines: synthesis of N-(arylaminomethyl)-phthalimides

An efficient and easy synthesis of compounds: 2-Phenylaminomethyl-isoindole-1,3-dione (5a), 2-[(2-Clorophenylamino)methyl]-isoindole-1,3-dione (5b), 2-[(3-Clorophenylamino)methyl]-isoindole-1,3-dione (5c), 2-[(4-Clorophenylamino)methyl)-isoindole-1,3-dione (5d), 2-[(2-Fluorophenylamino)methyl]-isoindole-1,3-dione (5e), 2-[(3-fluorophenylamino)methyl]-isoindole-1,3-dione (5f), 2-[(4-Fluorophenylamino)methyl]-isoindole-1,3-dione (5g), 2-[(2-Nitrophenylamino)methyl]-isoindole-1,3-dione (5h), 2-[(3-Nitrophenylamino)methyl]-isoindole-1,3-dione (5i), 2-[(4-Nitrophenylamino)methyl]-isoindole-1,3-dione (5j), 2-[1H-(1,2,4)Triazol-3-yl-aminomethyl)-isoindole-1,3-dione (5k) and 2-([1,2,4]-Triazole-4-yl-aminomethyl)-isoindole-1,3-dione (5l), is described. The general synthesis procedure starts from N-hydroxymethylphthalimide 3 and aryl- and [1,2,4-triazol-3- and 4-yl]-amines 4a-l by conventional and solvent-free microwave-mediated. The reaction of 3 with 4l turned out to be a very rapid and high-yielding one. A comparison of these two methods has been made. Three probable mechanisms of formation of N-(arylaminomethyl)-phthalimides (one in the solution phase and two in the microwave-accelerated conditions are proposed. Crystallographic analyses of 5d furnished the correct conformation of this molecule. Ab initio molecular orbital calculations of 5d using 6-31G* basis set were performed and the results were comparable to the X-ray data.

Diagnosis of coinfection by schistosomiasis and viral hepatitis B or C using 1H NMR-based metabonomics

Background Diagnosis of liver involvement due to schistosomiasis in asymptomatic patients from endemic areas previously diagnosed with chronic hepatitis B (HBV) or C (HCV) and periportal fibrosis is challenging. H-1 Nuclear Magnetic Resonance (NMR)-based metabonomics strategy is a powerful tool for providing a profile of endogenous metabolites of low molecular weight in biofluids in a non-invasive way. The aim of this study was to diagnose periportal fibrosis due to schistosomiasis mansoni in patients with chronic HBV or HCV infection through NMR-based metabonomics models. Methodology/Principal findings The study included 40 patients divided into two groups: (i) 18 coinfected patients with schistosomiasis mansoni and HBV or HCV; and (ii) 22 HBV or HCV monoinfected patients. The serum samples were analyzed through H-1 NMR spectroscopy and the models were based on Principal Component Analysis (PCA) and Partial Least Squares—Discriminant Analysis (PLS-DA). Ultrasonography examination was used to ascertain the diagnosis of periportal fibrosis. Exploratory analysis showed a clear separation between coinfected and monoinfected samples. The supervised model built from PLS-DA showed accuracy, R2 and Q2 values equal to 100%, 98.1% and 97.5%, respectively. According to the variable importance in the projection plot, lactate serum levels were higher in the coinfected group, while the signals attributed to HDL serum cholesterol were more intense in the monoinfected group. Conclusions/Significance The metabonomics models constructed in this study are promising as an alternative tool for diagnosis of periportal fibrosis by schistosomiasis in patients with chronic HBV or HCV infection from endemic areas for Schistosoma mansoni.

Synthesis of 4-amino-2,6-diaryl-5-cyanopyrimidines as antimicrobial agents

ABSTRACT This article describes an efficient and facile synthesis of 11 2,4,6-trisubstituted 5-cyanopyrimidines starting from meta- and para-substituted 2-cyanocinnamonitriles and arylamidines. The synthesized heterocycles, 3a–k, were characterized by infrared (IR), 1H NMR, 13C NMR, and mass spectral data. The probable mechanism of formation of the title compounds employing 2-cyanocinnamonitriles and arylamidines in the presence of a base was clarified. A preliminary screening of the antibacterial tests clearly showed that 4 out of 11 pyrimidines, 3a, 3e, 3f, and 3k, were effective against bacteria Staphyloccus aureus, Bacillus subtillis, and Pseudomonas aeruginosa. Further, the minimum inhibitory concentration (MIC) against the bacteria has been determined. GRAPHICAL ABSTRACT

Diagnosis of Urological Cancer by 1H NMR Based Metabonomics Urinalysis: A Pilot Study

Aims: The most prevalent urological malignancies are prostate cancer (PC), bladder cancer (BC) and renal cancer (RC). The diagnosis of each of these diseases is conducted, in most cases, invasively and each procedure may lead to complications. The method of metabonomic spectrometry by nuclear magnetic resonance of hydrogen (1H NMR) provides pathways of diagnostic information that can identify pathologies without invasive procedures. The possibility of using this method for the diagnosis of those cancers by a single sample of urine has not been described yet. Study Design: Prospective, observational. Short Research Article Araújo et al.; BJMMR, 19(3): xxx-xxx, 2017; Article no.BJMMR.30340 2 Place and Duration of the Study: Department of Urology and Department Fundamental Chemistry of Universidade Federal de Pernambuco (UFPE), between July of 2015 to February of 2016. Methodology: A sample of 3 ml of urine was collected from 25 volunteers distributed into 4 groups: A control group (07 volunteers), a PC (08 volunteers), a BC (05 volunteers), and an RC (05 volunteers). All samples underwent 1H MRI to generate spectra. A multivariate statistics analysis for the development of metabonomic models and comparison analysis groups was performed. Results: These models showed a slight separation between the control group and each of the three groups of patients with oncological diseases. For the elaboration of the definitive models it was necessary to incorporate the volunteers of the BC and RC into one group (BC/RC). The metabonomic method when compared to control group, shown sensitivity of 90.9%, specificity of 100%, 100% PPV and NPV of 85.7% for CB/CR and sensitivity, specificity, PPV and NPV of 100% for the PC. Conclusion: This pilot study demonstrates that the method is feasible with easy execution, showing simplicity besides being not invasive and allowing the diagnosis of oncological diseases with a single urine collection.