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1.
Chem Biol Interact ; 387: 110789, 2024 Jan 05.
Article in English | MEDLINE | ID: mdl-37931869

ABSTRACT

The kinetic analysis of esterase inhibition by acylating compounds (organophosphorus, carbamates and sulfonylfluorides) sometimes cannot yield consistent results by fitting simple inhibition kinetic models to experimental data of complex systems. In this work kinetic data were obtained for demeton-S-methyl (DSM) with human acetylcholinesterase in two kinds of experiments: (a) time progressive inhibition with a range of concentrations, (b) progressive spontaneous reactivation starting with pre-inhibited enzyme. DSM is an organophosphorus compound used as pesticide and considered a model for studying the dermal exposure of nerve agents such as VX gas. A kinetic model equation was deduced with four different molecular phenomena occurring simultaneously: (1) inhibition; (2) spontaneous reactivation; (3) aging; and (4) ongoing inhibition (inhibition during the substrate reaction). A 3D fit of the model was applied to analyze the inhibition experimental data. The best-fitting model is compatible with a sensitive enzymatic entity. The second-order rate constant of inhibition (ki = 0.0422 µM-1 min-1), the spontaneous reactivation constant (ks = 0.0202 min-1) and the aging constant (kg = 0.0043 min-1) were simultaneously estimated. As an example for testing the model and approach, it was tested also in the presence of 5 % ethanol (conditions as previously used in the literature), the best fitting model is compatible with two apparent sensitive enzymatic entities (17 % and 83 %) and only one spontaneously reactivates and ages. The corresponding second-order rate constants of inhibition (ki = 0.0354 and 0.0119 µM-1 min-1) and the spontaneous reactivation and aging constants for the less sensitive component (kr = 0.0203 min-1 and kg = 0.0088 min-1) were estimated. The results were also consistent with a significant ongoing inhibition. These parameters were similar to those deduced in spontaneous reactivation experiments of the pre-inhibited samples with DSM in the absence or presence of ethanol. The two apparent components fit was interpreted by an equilibrium between ethanol-free and ethanol-bound enzyme. The consistency of results in inhibition and in spontaneous reactivation experiments was considered an internal validation of the methodology and the conclusions.


Subject(s)
Acetylcholinesterase , Cholinesterase Inhibitors , Cholinesterase Reactivators , Organophosphates , Humans , Acetylcholinesterase/chemistry , Cholinesterase Inhibitors/pharmacology , Cholinesterase Reactivators/pharmacology , Ethanol , Kinetics , Oximes/chemistry , Enzyme Activation , Organophosphates/pharmacology
2.
Chemosphere ; 270: 128640, 2021 May.
Article in English | MEDLINE | ID: mdl-33757273

ABSTRACT

This study assessed the convenience of using magnetic particles (MPs) to reduce phosphorus (P) concentration in treated wastewater. The working hypothesis is that MP addition increases P removal in artificial wastewater treatment ponds. Water samples were collected at the inlet and outlet of a semi-natural pond receiving secondary municipal effluent that is discharged in a Ramsar site (Fuente de Piedra, Málaga, Spain). Then, laboratory batch experiments were run to (i) assess the effect of adding MPs on the chemical composition of treated wastewater, (ii) identify the number of adsorption cycles (by reusing MPs) which are able to trap a high percentage of P (>50%) and (iii) select the optimum ratio between MP mass and initial dissolved inorganic P (DIP) concentration. The results show the suitability of using MPs to remove P in treated wastewater due to both their high equilibrium adsorption capacity (q) and P removal efficiency. Lastly, considering its practical and economical relevance, based on the advantages (P removal efficiency) and disadvantages (economic price), the optimum dose of MPs (0.16 g MP mg-1 P) to achieve a high P removal efficiency (>50%) was identified.


Subject(s)
Water Pollutants, Chemical , Water Purification , Magnetic Phenomena , Phosphates , Phosphorus/analysis , Spain , Waste Disposal, Fluid , Wastewater , Water Pollutants, Chemical/analysis , Wetlands
3.
IEEE Trans Med Imaging ; 35(9): 2189-2199, 2016 09.
Article in English | MEDLINE | ID: mdl-27101601

ABSTRACT

The combination of positron emission tomography (PET) and magnetic resonance imaging (MRI) offers unique possibilities. In this paper we aim to exploit the high spatial resolution of MRI to enhance the reconstruction of simultaneously acquired PET data. We propose a new prior to incorporate structural side information into a maximum a posteriori reconstruction. The new prior combines the strengths of previously proposed priors for the same problem: it is very efficient in guiding the reconstruction at edges available from the side information and it reduces locally to edge-preserving total variation in the degenerate case when no structural information is available. In addition, this prior is segmentation-free, convex and no a priori assumptions are made on the correlation of edge directions of the PET and MRI images. We present results for a simulated brain phantom and for real data acquired by the Siemens Biograph mMR for a hardware phantom and a clinical scan. The results from simulations show that the new prior has a better trade-off between enhancing common anatomical boundaries and preserving unique features than several other priors. Moreover, it has a better mean absolute bias-to-mean standard deviation trade-off and yields reconstructions with superior relative l2-error and structural similarity index. These findings are underpinned by the real data results from a hardware phantom and a clinical patient confirming that the new prior is capable of promoting well-defined anatomical boundaries.


Subject(s)
Magnetic Resonance Imaging , Positron-Emission Tomography , Algorithms , Image Processing, Computer-Assisted , Phantoms, Imaging
4.
Int J Mol Sci ; 17(2): 260, 2016 Feb 22.
Article in English | MEDLINE | ID: mdl-26907262

ABSTRACT

Hepatocellular carcinoma (HCC) is one of the most commonly diagnosed cancers worldwide. Chemoprevention of HCC can be achieved through the use of natural or synthetic compounds that reverse, suppress or prevent the development of cancer progression. In this study, we investigated the antiproliferative effects and the mechanism of action of two compounds, 2,3,4'-trimethoxy-2'-hydroxy-chalcone (CH1) and 3'-bromo-3,4-dimethoxy-chalcone (CH2), over human hepatoma cells (HepG2 and Huh-7) and cultured mouse hepatocytes (HepM). Cytotoxic effects were observed over the HepG2 and Huh-7, and no effects were observed over the HepM. For HepG2 cells, treated separately with each chalcone, typical apoptotic laddering and nuclear condensation were observed. Additionally, the caspases and Bcl-2 family proteins activation by using Western blotting and immunocytochemistry were studied. Caspase-8 was not activated, but caspase-3 and -9 were both activated by chalcones in HepG2 cells. Chalcones also induced reactive oxygen species (ROS) accumulation after 4, 8 and 24 h of treatment in HepG2 cells. These results suggest that apoptosis in HepG2 was induced through: (i) a caspase-dependent intrinsic pathway; and (ii) by alterations in the cellular levels of Bcl-2 family proteins, and also, that the chalcone moiety could be a potent candidate as novel anticancer agents acting on human hepatomas.


Subject(s)
Antineoplastic Agents/pharmacology , Carcinoma, Hepatocellular/metabolism , Caspases/metabolism , Chalcones/pharmacology , Liver Neoplasms/metabolism , Animals , Apoptosis , Carcinoma, Hepatocellular/drug therapy , Cell Line, Tumor , Cell Survival/drug effects , Gene Expression Regulation, Neoplastic/drug effects , Hep G2 Cells , Humans , Liver Neoplasms/drug therapy , Mice , Proto-Oncogene Proteins c-bcl-2/metabolism , Signal Transduction/drug effects
6.
Rev. latinoam. cienc. soc. niñez juv ; 11(2): 703-718, jul.-dic. 2013. ilus, tab
Article in Spanish | LILACS | ID: lil-695854

ABSTRACT

En este artículo reportamos los hallazgos encontrados en un estudio acerca de las teorías subjetivas o personales presentes en una muestra constituida por nueve libros latinoamericanos con consejos para padres y madres, basados en la educación emocional de los hijos y de las hijas. Objetivo: describir las teorías subjetivas presentes en los libros latinoamerica-nos con consejos para padres y madres, específicamente acerca de la educación emocional de sus hijas e hijos en la primera infancia. Metodología: Esta investigación fue de carácter cualitativo, con aportes de la escuela Grounded Theory (teoría fundamentada), mediante un análisis apoyado por codificación abierta y codificación temática. Resultados y conclusiones: Encontramos tres principales categorías de códigos: 1) Estimulación del desarrollo afectivo o emocional; 2) formación moral y 3) rol de los padres y de las madres, planteadas con algo de alarmismo y determinismo psi-cológico, respecto de la infancia sobre los conflictos psicológicos de la adultez.


Subject(s)
Child Rearing
7.
Med Image Anal ; 17(7): 779-89, 2013 Oct.
Article in English | MEDLINE | ID: mdl-23743085

ABSTRACT

FFD represent a widely used model for the non-rigid registration of medical images. The balance between robustness to noise and accuracy in modelling localised motion is typically controlled by the control point grid spacing and the amount of regularisation. More recently, TFFD have been proposed which extend the FFD approach in order to recover smooth motion from temporal image sequences. In this paper, we revisit the classic FFD approach and propose a sparse representation using the principles of compressed sensing. The sparse representation can model both global and local motion accurately and robustly. We view the registration as a deformation reconstruction problem. The deformation is reconstructed from a pair of images (or image sequences) with a sparsity constraint applied to the parametric space. Specifically, we introduce sparsity into the deformation via L1 regularisation, and apply a bending energy regularisation between neighbouring control points within each level to encourage a grouped sparse solution. We further extend the sparsity constraint to the temporal domain and propose a TSFFD which can capture fine local details such as motion discontinuities in both space and time without sacrificing robustness. We demonstrate the capabilities of the proposed framework to accurately estimate deformations in dynamic 2D and 3D image sequences. Compared to the classic FFD and TFFD approach, a significant increase in registration accuracy can be observed in natural images as well as in cardiac images.


Subject(s)
Algorithms , Image Enhancement/methods , Image Interpretation, Computer-Assisted/methods , Imaging, Three-Dimensional/methods , Pattern Recognition, Automated/methods , Subtraction Technique , Reproducibility of Results , Sensitivity and Specificity
8.
Anal Chem ; 85(3): 1415-23, 2013 Feb 05.
Article in English | MEDLINE | ID: mdl-23249247

ABSTRACT

The acquisition of localized molecular spectra with mass spectrometry imaging (MSI) has a great, but as yet not fully realized, potential for biomedical diagnostics and research. The methodology generates a series of mass spectra from discrete sample locations, which is often analyzed by visually interpreting specifically selected images of individual masses. We developed an intuitive color-coding scheme based on hyperspectral imaging methods to generate a single overview image of this complex data set. The image color-coding is based on spectral characteristics, such that pixels with similar molecular profiles are displayed with similar colors. This visualization strategy was applied to results of principal component analysis, self-organizing maps and t-distributed stochastic neighbor embedding. Our approach for MSI data analysis, combining automated data processing, modeling and display, is user-friendly and allows both the spatial and molecular information to be visualized intuitively and effectively.


Subject(s)
Brain/metabolism , Liver/metabolism , Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/methods , Animals , Brain/pathology , Humans , Liver/pathology , Mass Spectrometry/methods , Rats
9.
Med Image Comput Comput Assist Interv ; 15(Pt 2): 659-66, 2012.
Article in English | MEDLINE | ID: mdl-23286105

ABSTRACT

Non-rigid image registration using free-form deformations (FFD) is a widely used technique in medical image registration. The balance between robustness and accuracy is controlled by the control point grid spacing and the amount of regularization. In this paper, we revisit the classic FFD registration approach and propose a sparse representation for FFDs using the principles of compressed sensing. The sparse free-form deformation model (SFFD) can capture fine local details such as motion discontinuities without sacrificing robustness. We demonstrate the capabilities of the proposed framework to accurately estimate smooth as well as discontinuous deformations in 2D and 3D image sequences. Compared to the classic FFD approach, a significant increase in registration accuracy can be observed in natural images (61%) as well as in cardiac MR images (53%) with discontinuous motions.


Subject(s)
Algorithms , Image Interpretation, Computer-Assisted/methods , Imaging, Three-Dimensional/methods , Magnetic Resonance Imaging, Cine/methods , Pattern Recognition, Automated/methods , Subtraction Technique , Image Enhancement/methods , Reproducibility of Results , Sensitivity and Specificity
10.
IEEE Trans Pattern Anal Mach Intell ; 33(11): 2215-28, 2011 Nov.
Article in English | MEDLINE | ID: mdl-21282853

ABSTRACT

This paper proposes two alternative formulations to reduce the high computational complexity of tensor voting, a robust perceptual grouping technique used to extract salient information from noisy data. The first scheme consists of numerical approximations of the votes, which have been derived from an in-depth analysis of the plate and ball voting processes. The second scheme simplifies the formulation while keeping the same perceptual meaning of the original tensor voting: The stick tensor voting and the stick component of the plate tensor voting must reinforce surfaceness, the plate components of both the plate and ball tensor voting must boost curveness, whereas junctionness must be strengthened by the ball component of the ball tensor voting. Two new parameters have been proposed for the second formulation in order to control the potentially conflictive influence of the stick component of the plate vote and the ball component of the ball vote. Results show that the proposed formulations can be used in applications where efficiency is an issue since they have a complexity of order O(1). Moreover, the second proposed formulation has been shown to be more appropriate than the original tensor voting for estimating saliencies by appropriately setting the two new parameters.

11.
J Hazard Mater ; 181(1-3): 375-81, 2010 Sep 15.
Article in English | MEDLINE | ID: mdl-20554113

ABSTRACT

Innovative approaches are of outstanding importance to devise technologies for dealing with eutrophication of inland waters. This study provides a quantitative estimate showing the convenience of using magnetic nano- and micronsized particles as phosphate absorbents and their later removal from solution by high gradient magnetic separation. Two different materials are investigated (iron and magnetite) having a controlled shape and size well in the colloidal domain. Magnetite particles adsorb more phosphate (empirical saturation constant=27.15 mg P g(-1) Fe) than iron particles (empirical saturation constant=18.83 mg P g(-1) Fe) as a consequence of the different particle size (average values for particle diameters of 90.6+/-1.2 and 805+/-10 nm for magnetite and for iron, respectively). A protocol is established for the successful reutilization of these magnetic particles by repeated washing with NaOH and therefore, optimizing the economic cost of this technology. Magnetic particles are also surface treated with amino silane groups (APTS) to counteract magnetic and van der Waals attractive interactions and promote kinetic stability. APTS-coated iron particles experience a notable increase in phosphate maximum adsorption capacity which could be explained by a remarkable increase in electrophoretic mobility. We propose the use of APTS-coated iron particles which are less-expensive and easy to obtain as a promising technique for lake restoration.


Subject(s)
Environmental Restoration and Remediation/methods , Ferrosoferric Oxide/chemistry , Fresh Water/chemistry , Iron/chemistry , Phosphates/isolation & purification , Magnetics , Nanoparticles , Particle Size , Water Purification/methods
12.
Naturwissenschaften ; 97(7): 627-35, 2010 Jul.
Article in English | MEDLINE | ID: mdl-20490779

ABSTRACT

Electron transport system (ETS) activity of sediments as an indication of microbial metabolic activity was examined in two adjacent Mediterranean wetlands (southern Spain). We determined the spatio-temporal variation in ETS, and we explored the potential biological [organic matter (OM), chlorophyll a (Chl a), aerobic and anaerobic bacteria] drivers of sediment ETS activity. ETS activity was notably higher in the eutrophic Lake Nueva (34.91 microl O(2) g(-1) D.W. h(-1)) than in the hypertrophic Lake Honda (24.99 microl O(2) g(-1) D.W. h(-1)). Strong spatial differences were observed in ETS in both study sites. Highest ETS values were achieved at the surface sediment at the deepest sampling station in each lake and a notable reduction in ETS with sediment depth was observed. By using linear regression and multiple regression analysis, OM was identified as the best predictor of ETS in Lake Honda while Chl a was the best predictor in Lake Nueva. The strong influence of OM supply on ETS activity in sediment from Lake Honda was the consequence of the labile nature of sedimentary OM, while a more refractory OM (with a higher contribution of vascular plants) comprised most of the sedimentary OM from Lake Nueva. By contrast, a large contribution of phytobenthos (supported by a higher lake water transparency) to ETS has been recognized in sediments from Lake Nueva. In summary, the results of this study revealed that the relative importance of planktonic primary producers (phytoplankton), benthic algae and vascular plants in the study sites could explain the differences observed in the intensity of sediment ETS as well as in their drivers.


Subject(s)
Geologic Sediments/microbiology , Bacteria, Aerobic/isolation & purification , Bacteria, Aerobic/physiology , Bacteria, Anaerobic/isolation & purification , Bacteria, Anaerobic/physiology , Mediterranean Region , Phytoplankton/isolation & purification , Phytoplankton/physiology , Regression Analysis , Spain
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