El objetivo general de la investigación fue analizar jurídicamente la reinserción y la prohibición de discriminación por pasado judicial en los delitos de violación. La presente investigación utilizó ...el método cuantitativo el cual produce datos descriptivos, que se originan por la recolección de datos. Apoyado en la revisión documental-bibliográfica. Conjuntamente, se aplicó el método inductivo-deductivo. Se planteó además el método analítico-sintético. Se concluye que, el derecho a la igualdad y la prohibición de discriminación está reconocido tanto a nivel constitucional como en los instrumentos internacionales de los cuales nuestro país forma parte, razón por la cual deben ser acatados en su totalidad al estricto margen de la ley, nadie está por encima de lo que establece la Constitución, deben adoptar medidas positivas para revertir o cambiar situaciones discriminatorias.
El objetivo general de la investigación fue analizar jurídicamente la prueba pericial en los delitos ambientales y su incidencia en las sentencias judiciales. La presente investigación utilizó el ...método cuantitativo el cual produce datos descriptivos, que se originan por la recolección de datos. Apoyado en la revisión documental-bibliográfica. Conjuntamente, se aplicó el método inductivo-deductivo. Se planteó, además, el método analítico-sintético. Se concluye que, La falta de peritos especializados en materia ambiental dentro del sistema judicial del Consejo de la Judicatura en las distintas ramas del derecho ambiental, dificultando de esta manera el trabajo del titular de la acción penal como lo es fiscalía para que pueda demostrar los hechos antijuridicos que son cometidos en contra de la naturaleza.
•Fire debris including petroleum-derived substrates was analyzed by HS-GC-IMS.•The HCA analysis revealed a classification trend according to the type of ILs and substrate used.•SVM and RF models ...detect the presence of ILs in fire debris with 100% accuracy.•The RF model achieved the best accuracy in discriminating the type of ILRs.
In arson fires, ignitable liquids (ILs) are frequently used to start combustion. For this reason, detecting IL residues (ILRs) at the fire scene is a key factor in fire investigation to determine whether a crime has been committed as well as to establish the modus operandi of the perpetrator. In the present study, the application of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) for the detection of ILRs in fire debris from complex matrices in combination with machine learning (ML) tools is proposed as an alternative to the traditional method, based on gas chromatography–mass spectrometry (GC-MS), described by the ASTM E1618 standard method. For this purpose, petroleum-derived substrates (vinyl, nylon, and polyester) and natural substrates (cotton, cork and linoleum) burned alone and with different ILs (gasoline, diesel, ethanol and charcoal starter with kerosene) were used. In addition, samples were taken at different times (0, 1, 6, 12, 24 and 48 h) after the fire was finished. The ion mobility sum spectrum (IMSS) of each sample was obtained and different ML algorithms were applied. The first derivative was performed at the IMSS, as well as a Savitzky-Golay filter. Hierarchical cluster analysis (HCA) revealed a clustering trend as a function of substrate and ILs used, where the studied sampling times did not affect the resulting clusters. The classification models for the detection of the presence of ILRs have high performance with an accuracy of 100% for support vector machines (SVM) and random forest model (RF), followed by linear discriminant analysis (LDA) with an accuracy of 86.67%. When discriminating the type of ILs used, the RF model obtained an accuracy of 100%, followed by the LDA with 97.22% and finally the SVM model with an accuracy of 93.06%. In addition, a simple web application has been developed where the trained models can be used, so any researcher can apply the method to detect ILRs in fire debris.
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Detection of molecular recognition processes requires robust, specific, and easily implementable sensing methods, especially for screening applications. Here, we propose the difluoroacetamide moiety ...(an acetamide bioisoster) as a novel tag for detecting by NMR analysis those glycan-protein interactions that involve N-acetylated sugars. Although difluoroacetamide has been used previously as a substituent in medicinal chemistry, here we employ it as a specific sensor to monitor interactions between GlcNAc-containing glycans and a model lectin (wheat germ agglutinin). In contrast to the widely employed trifluoroacetamide group, the difluoroacetamide tag contains geminal 1H and 19F atoms that allow both 1H and 19FNMR methods for easy and robust detection of molecular recognition processes involving GlcNAc- (or GalNAc-) moieties over a range of binding affinities. The CHF2CONH- moiety behaves in a manner that is very similar to that of the natural acetamide fragment in the involved aromatic-sugar interactions, providing analogous binding energy and conformations, whereas the perfluorinated CF3CONH- analogue differs more significantly.
Detection of molecular recognition processes requires robust, specific, and easily implementable sensing methods, especially for screening applications. Here, we propose the difluoroacetamide moiety ...(an acetamide bioisoster) as a novel tag for detecting by NMR analysis those glycan–protein interactions that involve N‐acetylated sugars. Although difluoroacetamide has been used previously as a substituent in medicinal chemistry, here we employ it as a specific sensor to monitor interactions between GlcNAc‐containing glycans and a model lectin (wheat germ agglutinin). In contrast to the widely employed trifluoroacetamide group, the difluoroacetamide tag contains geminal 1H and 19F atoms that allow both 1H and 19F NMR methods for easy and robust detection of molecular recognition processes involving GlcNAc‐ (or GalNAc‐) moieties over a range of binding affinities. The CHF2CONH‐ moiety behaves in a manner that is very similar to that of the natural acetamide fragment in the involved aromatic‐sugar interactions, providing analogous binding energy and conformations, whereas the perfluorinated CF3CONH‐ analogue differs more significantly.
Monitoring glycan/protein interactions: A simple chemical tag (see figure) that can be used to monitor glycan–protein molecular recognition by NMR spectroscopic analysis has been devised. The chemical nature of the tag permits the easy and straightforward detection of interactions between the partners and allows the glycan binding epitope to be deduced.
The rising demand for cocoa powder has resulted in an upsurge in market prices, leading to the emergence of adulteration practices aimed at achieving economic benefits. This study aimed to detect and ...quantify cocoa powder adulteration using visible and near-infrared spectroscopy (Vis-NIRS). The adulterants used in this study were powdered carob, cocoa shell, foxtail millet, soybean, and whole wheat. The NIRS data could not be resolved using Savitzky-Golay smoothing. Nevertheless, the application of a random forest and support vector machine successfully classified the samples with 100% accuracy. Quantification of adulteration using partial least squares (PLS), Lasso, Ridge, elastic Net, and RF regressions provided R2 higher than 0.96 and root mean square error <2.6. Coupling PLS with the Boruta algorithm produced the most reliable regression model (R2 = 1, RMSE = 0.0000). Finally, an online application was prepared to facilitate the determination of adulterants in the cocoa powder.
•The Vis-NIR system accurately detected and quantified the adulteration percentage in cacao powder.•Unsupervised techniques (PCA and HCA) showed a clear arrangement by type and percentage of adulteration.•Supervised techniques (RF and SVM) successfully classified samples with 100% accuracy.•The PLS-Regression model with the Boruta algorithm provided the best results for quantification.•An online platform is available for users to access our models for detecting and quantifying cocoa powder adulteration.
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The dual inhibitory action of the pain related peptide opiorphin (H-Gln-Arg-Phe-Ser-Arg-OH) against neutral endopeptidase (NEP) and aminopeptidase N (AP-N) was further investigated by ...a SAR study involving minor modifications on the polar side chains of Arg residues and glycosylation with monosaccharides at Ser. None of them exerted dual or individual inhibitory potency superior than opiorphin. However, the correlations deduced offer further proof for the key role of these residues upon the binding and bioactive conformational stabilization of opiorphin. NMR conformational studies on the glycopeptides suggest that they are still very flexible compounds that may attain their respective bioactive conformations.
In this review, we present applications of NMR spectroscopy as a potent tool for the study of molecular interactions. It is clear that a variety of NMR methods may be employed to deduce key features ...of ligand–receptor molecular recognition processes, looking at the process from the perspective of the receptor or the ligand. We have not provided an exhaustive review, but we have tried to focus on describing the different aspects within this research topic. We have therefore selected examples accordingly, depending on the particular problem under study or the application/development of protocols to circumvent the technical problems that may be found when working in this field.
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Glycosylation by simple sugars is a drug discovery alternative that has been explored with varying success for enhancing the potency and bioavailability of opioid peptides. Long ago ...we described two O-glycosides having either β-Glucose and β-Galactose of (d-Met2, Pro5)-enkephalinamide showing one of the highest antinociceptive activities known. Here, we report the resynthesis of these two analogs and the preparation of three novel neoglycopeptide derivatives (α-Mannose, β-Lactose and β-Cellobiose). Binding studies to cloned zebrafish opioid receptors showed very small differences of affinity between the parent compound and the five glycopeptides thus suggesting that the nature of the carbohydrate moiety plays a minor role in determining the binding mode. Indeed, NMR conformational studies, combined with molecular mechanics calculations, indicated that all glycopeptides present the same major conformation either in solution or membrane-like environment. The evidences provided here highlight the relevance for in vivo activity of the conjugating bond between the peptide and sugar moieties in opioid glycopeptides.
This article presents a dataset of fatalities of domestic terrorism in Western European countries for the period 1965—2005. The Domestic Terrorism Victims (DTV) dataset, unlike others such as TWEED ...or GTD1, is based on local sources in each country and, consequently, it registers a higher number of killings. Measurement of the quantity of terrorism is therefore more accurate. The unit of observation is the fatality, not the attack, although the data can be transformed in terms of lethal attacks. Detailed information about each killing has been collected, making it possible to create new variables about the quality of violence: target selection, selectivity of the killings and their strategic aim. The ideology of the terrorists generates interesting variation in these three variables. The DTV is particularly suitable for hypothesis testing on the quantity and quality of terrorism.
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