The effect of pH on the simultaneous determination of Sulfamethoxazole and Trimethoprim by Ultraviolet Spectrophotometry and Multivariate Calibration

Analytical techniques based on Ultraviolet (UV) spectrophotometry are widely used in pharmaceutical analysis, because they are simple and inexpensive. The choice of pH is critical in the development of univariate methods for pharmaceutical quantitation by UV spectrophotometry since changes may modify the absorption spectrum profile. Similar to univariate methods by UV spectrophotometry changes in pH may influence the predictive ability of multivariate models, affecting the resultant analytical performance. We report herein on the influence of pH on the simultaneous determination of sulfamethoxazole (SMZ) and trimethoprim (TMP) in tablets using UV spectrophotometry and multivariate calibration. Data were recorded using a UV spectrophotometer in the wavelength range of 200 to 350 nm. The experimental matrix was constructed using 36 synthetic samples of SMZ-TMP mixtures. The concentration ranges used for the investigation were 14.0 to 26.0 mg L-1 for SMZ and 2.8 to 5.2 mg L-1 for TMP. The Partial Least Squares (PLS) regression models were generated with full-spectrum and multiple pH levels. At pH 4.3, lower values of relative standard error of prediction (RSEP %) for SMZ (1.83) and TMP (1.13) were obtained. The PLS model at pH 4.3 was used for the quantification of real samples (tablets obtained from 13 different manufacturers) and the results were compared with conventional procedures using high performance liquid chromatography (HPLC).

Theoretical and voltammetric studies of 5-Nitro-heterocyclic derivatives with potential trypanocidal activities

Stereoelectronic properties of nitro-heterocyclic bioisosteric congeners were investigated using theory-level quantum chemistry and cyclic voltammetry with the goal of determining physico-chemical properties that affect the redox potential of the nitro group. Molecular geometry, physicochemical properties and stereoelectronic surfaces, such as molecular electrostatic potential, and HOMO and LUMO orbitalar distributions, were calculated using the AM1 semiempirical method. The redox potential of nitro-heterocyclic compounds, which corresponds to the (Ar-NO2/Ar-NO2•- ) redox couple, was measured in aprotic media (DMSO and 0.1 mol L-1 Bu4NH4BF4) using glassy carbon as working electrode, Pt wire, Ag/AgCl, KCl(sat) as counter and reference electrodes, respectively. Analysis of minimal energy conformers of all derivatives indicated a break in structural planarity located between the hydrazine nitrogen and benzamide moiety. No statistical correlation was obtained using the PLS regression method, taking in account all physicochemical properties and the redox potential, which might result from the lack of coplanarity effect in the molecular structure of the compounds

NEOTROPICAL XENARTHRANS: a data set of occurrence of xenarthran species in the Neotropics

Xenarthrans – anteaters, sloths, and armadillos – have essential functions for ecosystem maintenance, such as insect control and nutrient cycling, playing key roles as ecosystem engineers. Because of habitat loss and fragmentation, hunting pressure, and conflicts with 24 domestic dogs, these species have been threatened locally, regionally, or even across their full distribution ranges. The Neotropics harbor 21 species of armadillos, ten anteaters, and six sloths. Our dataset includes the families Chlamyphoridae (13), Dasypodidae (7), Myrmecophagidae (3), Bradypodidae (4), and Megalonychidae (2). We have no occurrence data on Dasypus pilosus (Dasypodidae). Regarding Cyclopedidae, until recently, only one species was recognized, but new genetic studies have revealed that the group is represented by seven species. In this data-paper, we compiled a total of 42,528 records of 31 species, represented by occurrence and quantitative data, totaling 24,847 unique georeferenced records. The geographic range is from the south of the USA, Mexico, and Caribbean countries at the northern portion of the Neotropics, to its austral distribution in Argentina, Paraguay, Chile, and Uruguay. Regarding anteaters, Myrmecophaga tridactyla has the most records (n=5,941), and Cyclopes sp. has the fewest (n=240). The armadillo species with the most data is Dasypus novemcinctus (n=11,588), and the least recorded for Calyptophractus retusus (n=33). With regards to sloth species, Bradypus variegatus has the most records (n=962), and Bradypus pygmaeus has the fewest (n=12). Our main objective with Neotropical Xenarthrans is to make occurrence and quantitative data available to facilitate more ecological research, particularly if we integrate the xenarthran data with other datasets of Neotropical Series which will become available very soon (i.e. Neotropical Carnivores, Neotropical Invasive Mammals, and Neotropical Hunters and Dogs). Therefore, studies on trophic cascades, hunting pressure, habitat loss, fragmentation effects, species invasion, and climate change effects will be possible with the Neotropical Xenarthrans dataset

Efficient synthesis and antitumor evaluation of 4-aminomethyl-N-arylpyrazoles: discovery of potent and selective agents for ovarian cancer

A new one-pot two-step sequential methodology for synthesis of novel 3-carboxyethyl 4-[(tert-butylamino)methyl]-N-arylpyrazole derivatives is reported. One-pot transformation of β-enamino diketones and arylhydrazines generated 4-iminium-N-arylpyrazole salt intermediates in situ, which were easily transformed into 4-[(tert-butylamino)methyl]-N-arylpyrazole derivatives by NaBH3CN. The products could be isolated in the free or hydrochloride salt forms. Also, it was possible to obtain the products in the zwitterionic form by ester group hydrolysis. Furthermore, all synthesised compounds were evaluated in vitro against a panel of eight human tumor cell lines. The 4-[(tert-butylamino)methyl]-N-arylpyrazole derivatives were much more powerful than the hydrochloride and zwitterionic forms. Moreover, the results suggest that the N-aryl group at the pyrazole ring is vital for modulating antiproliferative activity. The 3-carboxyethyl 4-[(tert-butylamino)methyl]-N-phenylpyrazoles 3a–g exhibited higher inhibitory activities against OVCAR-3, with GI50 values of 0.013–8.78 μM, and lower inhibitory activities against normal human cell lines. Molecular docking was performed to evaluate the probable binding mode of 3a into active site of CDK229COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESSem informaçã

Photosynthetic performance of Chlorella vulgaris R117 mass culture is moderated by diurnal oxygen gradients in an outdoor thin layer cascade

Dissolved oxygen concentration is a critical point for microalgae in large scale cultivation systems. Highly productive cultures inevitably generate a build-up of oxygen gradients along the reactor which can affect photosynthetic performance. In this study, a fast-growing strain of Chlorella vulgaris R117 was cultured outdoors in a thin-layer cascade during a one-week trial reaching a biomass productivity of 4 g DW L−1 d−1 (27 g DW m−2 d−1). High photosynthetic activity led to oxygen oversaturation of up to 400% in some parts along the culture units at midday. The aim was to examine the effect of high dissolved oxygen concentration on diurnal changes in the photosynthetic performance and growth of the Chlorella culture using multi-technique approach. Photosynthetic activity of Chlorella R117 culture was estimated in situ and ex situ using oxygen production and in vivo Chl a fluorescence measurements, which showed good correlation. The rates of electron transport and of oxygen production were related, but the values of the μmolelectrons/μmolO2 ratio was higher than predicted, suggesting the probable involvement of electron and oxygen consuming processes such as photorespiration and Mehler reaction. These processes probably function as photoprotective mechanisms, since no photodamage was observed in the Chlorella R-117 cultures. Depression (down-regulation) of photosynthetic activity due to the exposition to high dissolved oxygen concentration along the cascade area over time was observed. The usefulness of on-line measurements was demonstrated to obtain immediate and in-situ information on the physiological status of the culture. This data can be used in models of operation control for large-scale microalgae production units.Fil: Rearte, Tomás Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Agronomía. Departamento de Recursos Naturales y Ambiente; ArgentinaFil: Celis Plá, Paula S. M.. Universidad de Playa Ancha; ChileFil: Neori, Amir. University Of Haifa; Israel. The Interuniversity Institute for Marine Sciences; IsraelFil: Masojídek, Jiří. Czech Academy of Sciences; República Checa. University of South Bohemia; República ChecaFil: Torzillo, Giuseppe. Centre National de la Recherche Scientifique; Francia. Universidad de Costa Rica; Costa RicaFil: Gómez Serrano, Cintia. Universidad de Almería; EspañaFil: Silva Benavides, Ana Margarita. Universidad de Costa Rica; Costa RicaFil: Álvarez Gómez, Félix. Universidad de Málaga; EspañaFil: Abdala Díaz, R. T.. Universidad de Málaga; EspañaFil: Ranglová, Karolína. Czech Academy of Sciences; República Checa. University of South Bohemia; República ChecaFil: Caporgno, Martin. Czech Academy of Sciences; República ChecaFil: Massocato, Thaís Fávero. Universidade Federal de Santa Catarina; BrasilFil: Silva, Jaqueline Carmo da. Universidade Federal do São Carlos; BrasilFil: Al Mahrouqui, Hafidh. Universidad de Almería; España. Sultan Qaboos University; OmánFil: Atzmüller, Richard. FH OÖ Forschungs & Entwicklungs GmbH; AustriaFil: Figueroa, Felix L.. Universidad de Málaga; Españ