Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.

A confiscated package of street drugs was characterized by the usual mass spectral (MS) and FT-IR analyses. The confiscated powder material was highly crystalline and was found to consist of two very different species, accidentally of sizes convenient for X-ray diffraction. Thus, one each was selected and redundant complete sets of data were collected at 100 K using Cu Kα radiation. The selected crystals contained: (a) 1,2-diphenyl-2-(pyrrolidin-1-yl)ethanone hydrochloride hemihydrate or 1-(2-oxo-1,2-diphenylethyl)pyrrolidin-1-ium chloride hemihydrate, C18H20NO+·Cl-·0.5H2O, (I), a synthetic cathinone called `α-D2PV', and (b) the sugar myo-inositol, C6H12O6, (II), probably the only instance in which the drug and its diluent have been fully characterized from a single confiscated sample. Moreover, the structural details of both are rather attractive showing: (i) interesting hydrogen bonding observed in pairwise interactions by the drug molecules, mediated by the chloride counter-anions and the waters of crystallization, and (ii) π-π interactions in the case of the phenyl rings of the drug which are of two different types, namely, π-π stacking and edge-to-π. Finally, the inositol crystallizes with Z' = 2 and the resulting diastereoisomers were examined by overlay techniques.

Folate administration ameliorates neurobehavioral effects of prenatal ethanol exposure.

Background: Prenatal ethanol exposure (PEE) induces heightened ethanol intake at adolescence in preclinical studies. Ethanol intake alters the absorption of folate, a methyl-group donor critical for numerous cellular functions. The prenatal administration of folate is, therefore, a promising approach to reduce the effects of PEE.Objectives: Experiment 1 determined if prenatal folate modulated the effects of PEE on ethanol intake, anxiety-like response, and exploratory behaviors (Experiment 1) in Wistar rats. Experiment 2 assessed, in rats not given PEE, if postnatal folate reversed effects of ethanol exposure at postnatal days 28-42. Experiment 3 assessed if folate altered blood ethanol levels (BELs).Methods: Experiment 1 involved 242 (125 male) adolescent Wistar rats derived from dams given folate (20 mg/kg, gestational days - GD- 13-20) + ethanol (2.0 g/kg, GD 17-20), ethanol, or vehicle only at pregnancy. Experiment 2 involved 29 male adolescents administered vehicle or ethanol doses co-administered or not with folate. In Experiment 3 twelve adult females were tested for BELs after folate administration. These tests were applied: intake tests, light dark box (LDB), elevated plus maze, open field and concentric square field.Results: PEE heightened ethanol intake (η2 ps = 0.06-07) and induced hyperactivity and a reduced latency to exit the white area of the LDB (η2 ps = 0.12-17). These effects were partially inhibited by folate (p > .05). Rats exposed to ethanol exposure at adolescence exhibited reduced motor activity (η2 p = .17), regardless of folate treatment. Folate did not affect BELs.Conclusion: Folate administration should be considered as a preventive or acute treatment to attenuate the neurobehavioral effects of PEE.

NTD Health: An electronic medical record system for neglected tropical diseases / NTD Health: un sistema de historias clínicas electrónicas para enfermedades tropicales desatendidas

Introduction: The use of technological resources to support processes in health systems has generated robust, interoperable, and dynamic platforms. In the case of institutions working with neglected tropical diseases, there is a need for specific customizations of these diseases. Objectives: To establish a medical record platform specialized in neglected tropical diseases which could facilitate the analysis of treatment evolution in patients, as well as generate more accurate data about various clinical aspects. Materials and methods: A set of requirements to develop state of the art forms, concepts, and functionalities to include neglected tropical diseases were compiled. An OpenMRS distribution (version 2.3) was used as reference to build the platform, following the recommended guidelines and shared-community modules. Results: All the customized information was developed in a platform called NTD Health, which is web-based and can be upgraded and improved by users without technological barriers. Conclusions: The electronic medical record system can become a useful tool for other institutions to improve their health practices as well as the quality of life for neglected tropical disease patients, simplifying the customization of healthcare systems able to interoperate with other platforms.

Introducción. El uso de recursos tecnológicos destinados a apoyar procesos en los sistemas de salud ha generado plataformas sólidas, interoperables y dinámicas. En el caso de las instituciones que trabajan con enfermedades tropicales desatendidas, existe la necesidad de personalizaciones específicas en las herramientas de uso médico. Objetivos. Establecer una plataforma para historias clínicas especializada en enfermedades tropicales desatendidas, con el fin de facilitar el análisis de la evolución del tratamiento de los pacientes, además de generar datos más precisos sobre diversos aspectos clínicos. Materiales y métodos. Se compiló un conjunto de requisitos para implementar formularios, conceptos y funcionalidades que permitan incluir enfermedades tropicales desatendidas. Se utilizó una distribución de OpenMRS (versión 2.3) como referencia para construir la plataforma, siguiendo las pautas recomendadas y módulos compartidos por la comunidad. Resultados. Toda la información personalizada se implementó en una plataforma llamada NTD Health, la cual se encuentra almacenada en la web y los usuarios pueden actualizarla y mejorarla sin barreras tecnológicas. Conclusiones. El sistema de historias clínicas electrónicas puede convertirse en una herramienta útil para que otras instituciones mejoren sus prácticas en salud, así como la calidad de vida de los pacientes con enfermedades tropicales desatendidas, simplificando la personalización de los sistemas de salud capaces de interoperar con otras plataformas.

Low prevalence of chewing lice (Phthiraptera) in wintering populations of the reed bunting Emberiza schoeniclus (Aves: Passeriformes: Emberizidae) in the Iberian Peninsula.

The reed bunting is a passerine bird of the Palearctic region, some subspecies suffer a decline in their populations. Four species of lice have been cited in reed bunting, but lice studies have not been carried out in the Iberian Peninsula. Between 2018 and 2020 a wintering population of the reed bunting is sampled in the center of the Iberian Peninsula through mist nets. Lice were collected directly from birds by a visual body examination. Of the 208 reed buntings sampled, only four individuals were parasitized. We find two species: Menacanthus chrysophaeus, which is the first record in Iberian lice, and Brueelia blagovescenskyi. Lice are not associated with the sex or age of the birds. The prevalence obtained is low compared to other European populations. This difference can be explained by the phenology of the subspecies, the migratory populations have a lower load of lice than sedentary populations.

Non-Destructive Estimation of Total Chlorophyll Content of Apple Fruit Based on Color Feature, Spectral Data and the Most Effective Wavelengths Using Hybrid Artificial Neural Network-Imperialist Competitive Algorithm.

Non-destructive assessment of the physicochemical properties of food products, especially fruits, makes it possible to examine the internal quality without any damage. This is applicable at different stages of fruit growth, harvesting stage, and storage as well as at the market stage. In this regard, the present study aimed to estimate the total chlorophyll content using three types of data: color data, spectral data, and spectral data related to the most effective wavelengths. The most important steps of the proposed algorithms include extracting spectral and color data from each sample of Fuji cultivar apple, selecting the most effective wavelengths at the range of 660-720 nm using hybrid artificial neural network-particle swarm optimization (ANN-PSO), non-destructive assessment of the chemical property of total chlorophyll content based on color data, and spectral data using hybrid artificial neural network-Imperialist competitive algorithm (ANN-ICA). In order to assess the reliability of the hybrid ANN-ICA, 1000 iterations were performed after selecting the optimal structure of the artificial neural network. According to the results, in the best training mode and using spectral data and the most effective wavelength, total chlorophyll content was predicted with the R2 and RMSE of 0.991 and 0.0035, 0.997 and 0.001, 0.997 and 0.0006, respectively.

Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl2(en)2]+ salts demanded his octahedral model was correct. True?

Chemists of the late 19th century, including Alfred Werner, prepared salts containing either green or violet cations of composition [CoCl2(en)2]+ (en is ethylenediamine, C2H8N2); we now refer to these as trans-dichloro and cis-dichloro species. We have discovered a third salt, purple in color, containing cations of the same elemental composition and whose asymmetric unit composition is [CoCl2(en)2]2Cl2·3H2O, in which the cobalt cations are a cis:trans dichloro pair. Such a discovery would undermine Werner's argument that if only two forms can be prepared, his octahedral theory was proven. Probably because his students never examined their crystals under a microscope, they failed to observe the `third' species, thereby ruining Werner's argument since he relied strictly on color to identify them. That was fortunate since our purple salt would have led him to abandon, or certainly delay, his momentous discovery. Our crystals consist of a 1:1 mixture of the cis and trans cations, thereby sharing the same elemental analysis and conductivity as the single salts, but not their crystal structure, inasmuch as X-ray diffraction had not even been discovered then. Serendipitously, our discovery would have been a great boon to his theoretical acumen, while his `two-color' argument may have doomed him.

[Socio-epidemiological and cultural aspects of cutaneous leishmaniasis: conceptions, attitudes and practices in the populations of Tierralta and Valencia (Cordoba, Colombia)]. / Aspectos socioepidemiológicos y culturales de la leishmaniasis cutánea: concepciones, actitudes y prácticas en las poblaciones de Tierralta y Valencia, (Córdoba, Colombia).

This article focuses on the conceptions, attitudes and practices of the inhabitants from four villages (veredas) in Tierralta and Valencia (Cordoba, Colombia), who have suffered from or are aware of the existence of cutaneous leishmaniasis. A mixed methodology was implemented based in a qualitative design using interviews and focus groups (n=45) and an epidemiological design which included applying the Montenegro test (n=251), uncovering suspected cases of cutaneous leishmaniasis in humans, (n=5) and applying epidemiological surveys (n=409). Among the results, a lack of knowledge regarding the vector was found; although respondents could identify the Lutzomyia (known as "alú"), they did not correlate it with cutaneous leishmaniasis. In addition, traditional home treatments were more frequently used, increasing the underrecording of cases. With respect to healthcare personnel, flaws in diagnosis and treatment were found, which reinforces adherence to home treatments. This scenario calls for a reflection upon the challenges of the health care system in relation to the interventions of health personnel in communities situated in endemic areas.

Aspectos socioepidemiológicos y culturales de la leishmaniasis cutánea: concepciones, actitudes y prácticas en las poblaciones de Tierralta y Valencia, (Córdoba, Colombia) / Socio-epidemiological and cultural aspects of cutaneous leishmaniasis: conceptions, attitudes and practices in the populations of Tierralta and Valencia (Cordoba, Colombia)

RESUMEN Este artículo se centra en las concepciones, actitudes y prácticas de los pobladores de cuatro veredas en Tierralta y Valencia (Córdoba, Colombia), que han padecido o conocen la leishmaniasis cutánea. Se implementó una metodología mixta que combinó un diseño cualitativo con entrevistas y grupos focales (n=45), y un diseño epidemiológico en el que se aplicó la prueba de Montenegro (n=251), se relevaron casos sospechosos de leishmaniasis cutánea en humanos (n=5) y se realizaron encuestas epidemiológicas (n=409). Entre los resultados se encontró que hay un desconocimiento del vector y, aunque identificaron la Lutzomyia (Alú), no la correlacionaron con la leishmaniasis cutánea. Por otra parte, los tratamientos tradicionales caseros son los más usados, lo que provoca el aumento del subregistro de casos. Respecto al personal de salud, se encontraron fallas en el diagnóstico y el tratamiento, lo que refuerza la adherencia a tratamientos caseros. Este escenario nos insta a reflexionar acerca de los retos del sistema de salud respecto a las intervenciones del personal de salud en las comunidades asentadas en zonas endémicas.

ABSTRACT This article focuses on the conceptions, attitudes and practices of the inhabitants from four villages (veredas) in Tierralta and Valencia (Cordoba, Colombia), who have suffered from or are aware of the existence of cutaneous leishmaniasis. A mixed methodology was implemented based in a qualitative design using interviews and focus groups (n=45) and an epidemiological design which included applying the Montenegro test (n=251), uncovering suspected cases of cutaneous leishmaniasis in humans, (n=5) and applying epidemiological surveys (n=409). Among the results, a lack of knowledge regarding the vector was found; although respondents could identify the Lutzomyia (known as “alú”), they did not correlate it with cutaneous leishmaniasis. In addition, traditional home treatments were more frequently used, increasing the underrecording of cases. With respect to healthcare personnel, flaws in diagnosis and treatment were found, which reinforces adherence to home treatments. This scenario calls for a reflection upon the challenges of the health care system in relation to the interventions of health personnel in communities situated in endemic areas.

Presence of Aedes (Stegomyia) aegypti (Linnaeus, 1762) and its natural infection with dengue virus at unrecorded heights in Colombia.

INTRODUCTION: Aedes aegypti is the main vector of urban yellow fever, dengue, chikungunya and Zika viruses. The biogeographical distribution of this species has expanded due to global warming, and socioeconomic and cultural factors. The changes in the altitudinal distribution patterns of this vector and its natural infection are priority fields of research to develop entomological, virological and public health surveillance strategies.  OBJECTIVE: To evaluate the presence of A. aegypti and its natural infection with dengue virus in altitudes above 1.800 meters above sea level in two peripheral municipalities of the Valle de Aburrá, Antioquia, Colombia.  MATERIALS AND METHODS: Twenty-one ovitraps were set in the municipalities of Bello and San Pedro de los Milagros, at altitudes ranging from 1.882 to 2.659 masl. Emerged adults caught in the ovitraps were tested by RT-PCR for dengue virus detection.  RESULTS: We collected 367 A. aegypti adults, seven of which were found as high as 2.302 masl in Tierradentro, Bello. We detected serotype 2 dengue infection in 12 A. aegypti specimens collected in the neighbourhood of París, in Bello, at 1.984 masl.  CONCLUSION: We recorded A. aegypti at 2.302 masl, so far the highest altitudinal record in Colombia for this vector. Furthermore, mosquitoes collected at 1.984 masl were positive for dengue virus. These findings are significant as they identify regions in Colombia at risk of potential autochthonous transmission of dengue and other arboviruses by A. aegypti.

Presencia de Aedes ( Stegomyia ) aegypti (Linnaeus, 1762) y su infección natural con el virus del dengue en alturas no registradas para Colombia / Presence of Aedes ( Stegomyia ) aegypti (Linnaeus, 1762) and its natural infection with dengue virus at unrecorded heights in Colombia

Introducción. Aedes aegypti es el principal vector de fiebre amarilla urbana, dengue, chikungunya y zika. Se ha demostrado que la distribución biogeográfica de esta especie se ha expandido debido al calentamiento global y a factores socioeconómicos y culturales. Los cambios en los patrones de la distribución altitudinal de este vector y su infección con el virus son prioridades de la investigación encaminada a desarrollar estrategias de vigilancia entomológica y virológica en salud pública. Objetivo. Evaluar la presencia de A. aegypti y su infección natural por el virus del dengue en alturas superiores a los 1.800 msnm en dos municipios periféricos del Valle de Aburrá, Antioquia, Colombia. Materiales y métodos. Se instalaron 21 ovitrampas en los municipios de Bello y San Pedro de los Milagros, en un rango altitudinal de 1.882 a 2.659 msnm. Los adultos que emergieron de las ovitrampas se evaluaron con reacción en cadena de la polimerasa en tiempo real (RT-PCR) para la detección del virus del dengue. Resultados. Se recolectaron 367 adultos de A. aegypti , siete de los cuales se encontraron a una altitud de 2.302 msnm en Tierradentro, Bello. Se detectaron 12 especímenes de A. aegypti positivos para dengue serotipo 2 en el barrio París de Bello, a 1.984 msnm. Conclusión. Por primera vez se registró A. aegypti a 2.302 msnm, la mayor altitud registrada para este vector en Colombia. De igual forma, se encontró infección con el virus del dengue a 1.984 msnm. Estos hallazgos son significativos, ya que determinan regiones de Colombia con riesgo potencial de transmisión autóctona de dengue y otros arbovirus por A. aegypti .

Introduction: Aedes aegypti is the main vector of urban yellow fever, dengue, chikungunya and Zika viruses. The biogeographical distribution of this species has expanded due to global warming, and socioeconomic and cultural factors. The changes in the altitudinal distribution patterns of this vector and its natural infection are priority fields of research to develop entomological, virological and public health surveillance strategies. Objective: To evaluate the presence of A. aegypti and its natural infection with dengue virus in altitudes above 1.800 meters above sea level in two peripheral municipalities of the Valle de Aburrá, Antioquia, Colombia. Materials and methods: Twenty-one ovitraps were set in the municipalities of Bello and San Pedro de los Milagros, at altitudes ranging from 1.882 to 2.659 masl. Emerged adults caught in the ovitraps were tested by RT-PCR for dengue virus detection. Results: We collected 367 A. aegypti adults, seven of which were found as high as 2.302 masl in Tierradentro, Bello. We detected serotype 2 dengue infection in 12 A. aegypti specimens collected in the neighbourhood of París, in Bello, at 1.984 masl. Conclusion: We recorded A. aegypti at 2.302 masl, so far the highest altitudinal record in Colombia for this vector. Furthermore, mosquitoes collected at 1.984 masl were positive for dengue virus. These findings are significant as they identify regions in Colombia at risk of potential autochthonous transmission of dengue and other arboviruses by A. aegypti .

The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate.

α-Pyrrolidinovalerophenone (α-PVP), a dangerous designer drug, is now being marketed around the world as a harmless `bath salt', when in reality it is a powerful ß-ketone phenethylamine stimulant. A sample of the free base from a recent law-enforcement seizure was crystallized as the HCl salt [systematic name: 1-(1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride 0.786-hydrate], C15H22NO(+)·Cl(-)·0.786H2O. In the crystal structure, the propyl chain is nearly perpendicular to both the phenyl ring and the carbonyl group. The hydrogen-bonding scheme involves the quaternary N atom, the Cl(-) anion and the partially occupied (0.786) water molecule, forming centrosymmetric dimers.

A list of organometallic kryptoracemates.

The vast majority of racemic solutions of chiral compounds apparently crystallize at room temperature in non-Sohncke space groups as racemic crystals. However, kryptoracemic crystals composed of nearly enantiomeric pairs occasionally crystallize at room temperature, or appear as low-temperature phases, in Sohncke space groups. As a complement to the previously published catalog of organic kryptoracemates [Fábián & Brock (2010). Acta Cryst. B66, 94-103], 1412 chiral organometallic crystal structures have now been extracted from the Cambridge Structural Database and analyzed. 26 are listed herein as credible kryptoracemates. The possible influence of temperature is discussed, together with some problems in characterizing and classifying these structures.

Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'.

The name `bath salts', for an emerging class of synthetic cathinones, is derived from an attempt to evade prosecution and law enforcement. These are truly illicit drugs that have psychoactive CNS (central nervous system) stimulant effects and they have seen a rise in abuse as recreational drugs in the last few years since first having been seen in Japan in 2006. The ease of synthesis and modification of specific functional groups of the parent cathinone make these drugs particularly difficult to regulate. MDPV (3,4-methylenedioxypyrovalerone) is commonly encountered as its hydrochloride salt (C16H21NO3·HCl), in either the hydrated or the anhydrous forms. This `bath salt' has various names in the US, e.g. `Super Coke', `Cloud Nine', and `Ivory Wave', to name just a few. We report here the structures of two forms of the HCl salt, one as a mixed bromide/chloride salt, C16H22NO3(+)·0.343Br(-)·0.657Cl(-) [systematic name: 1-(benzo[d][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)], and the other with the H7O3(+) cation, as well as the HCl counter-ion [systematic name: hydroxonium 1-(benzo[d][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one dichloride, H7O3(+)·C16H22NO3(+)·2Cl(-)]. This is one of a very few structures (11 to be exact) in which we have a new example of a precisely determined hydroxonium cation. During the course of researching the clandestine manufacture of MDPV, we were surprised by the fact that a common precursor of this illicit stimulant is known to be the fragrant species piperonal, which is present in the fragrances of orchids, most particularly in the case of the vanilla orchid. We found that MDPV can be made by a Grignard reaction of this heliotropin. This may also explain the unexpected appearance of the bromide counter-ion in some of the salts we encountered (C16H21NO3·HBr), one of which is presented here [systematic name: 1-(benzo[d][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide, C16H22NO3(+)·Br(-)]. Complexation of MDPV with a forensic crystallizing reagent, HAuCl4, yields the tetrachloridoaurate salt of this drug, (C16H22NO3)[AuCl4]. The heavy-metal complexing agent HAuCl4 has been used for over a century to identify common quarternary nitrogen-containing drugs via microscopic identification. Another street drug, called ethylone (3,4-methylenedioxyethylcathinone), is regularly sold and abused as its hydrochloride salt (C12H15NO3·HCl), and its structure is herein described (systematic name: N-{1-[(benzo[d][1,3]dioxol-5-yl)carbonyl]ethyl}ethanaminium chloride, C12H16NO3(+)·Cl(-)). Marketed and sold as a `bath salt', `plant feeder', or `cleaning product', this drug is nothing more than a slight chemical modification of the banned drug methylone (3,4-methylenedioxymethcathinone). As with previously popular synthetic cathinones, the abuse of ethylone has seen a recent increase due to regulatory efforts on previous generations of cathinones that are now banned.

[Study of knowledge, attitudes, and practices related to leishmaniasis: evidence of government neglect in the Colombian Darién]. / Estudio de los conocimientos, actitudes y prácticas de la leishmaniasis: evidencias del olvido estatal en el Darién Colombiano.

American cutaneous leishmaniasis (ACL) is considered a public health problem worldwide, and incidence in Colombia is 12,000 cases per year. Colombia has implemented control programs for years which have often overlooked the social, economic, and demographic characteristics of the regions where the disease occurs. As part of an epidemiological study, this article presents the results of a survey on knowledge, attitudes, and practices (KAP) related to leishmaniasis in rural populations in Acandí in the Colombian Darién. Qualitative and quantitative tools were used (ethnography and surveys, respectively). The results show scarce knowledge among the population on basic aspects such as recognition of the sand fly vector. There were also differences in KAP according to gender and type of population, rather than by geographic area. The study points to government neglect as a critical factor in the persistence of the disease.

Estudio de los conocimientos, actitudes y prácticas de la leishmaniasis: evidencias del olvido estatal en el Darién Colombiano / Study of knowledge, attitudes, and practices related to leishmaniasis: evidence of government neglect in the Colombian Darién / Estudo dos conhecimentos, atitudes e práticas da leishmaniose: evidências da negligência do Estado no Darién colombiano

La leishmaniasis cutánea americana (LCA) es considerada un problema de salud pública a nivel mundial, y su incidencia en Colombia es de 12 mil casos por año. Durante años se han implementado programas de control, que frecuentemente ignoran características sociales, económicas y demográficas de las regiones afectadas. Como parte de un estudio de tipo epidemiológico, en este artículo se presentarán los resultados de un estudio sobre los conocimientos, actitudes y prácticas (CAP) frente a la leishmaniasis, que tienen las poblaciones de las zonas rurales del municipio de Acandí, en el Darién Colombiano. Para el estudio se utilizaron herramientas cualitativas como la etnografía y cuantitativas, como las encuestas dirigidas. Los resultados ponen en manifiesto el desconocimiento de la población en aspectos fundamentales como el reconocimiento del vector. Además, existen diferencias en las CAP por género y por tipo de población, pero no por su distribución geográfica. Se evidenció el abandono estatal como factor determinante en la perpetuación de la enfermedad.

American cutaneous leishmaniasis (ACL) is considered a public health problem worldwide, and incidence in Colombia is 12,000 cases per year. Colombia has implemented control programs for years which have often overlooked the social, economic, and demographic characteristics of the regions where the disease occurs. As part of an epidemiological study, this article presents the results of a survey on knowledge, attitudes, and practices (KAP) related to leishmaniasis in rural populations in Acandí in the Colombian Darién. Qualitative and quantitative tools were used (ethnography and surveys, respectively). The results show scarce knowledge among the population on basic aspects such as recognition of the sand fly vector. There were also differences in KAP according to gender and type of population, rather than by geographic area. The study points to government neglect as a critical factor in the persistence of the disease.

A leishmaniose tegumentar americana (LTA) é considerada um problema de saúde pública em todo o mundo, e sua incidência na Colômbia é de 12 mil casos por ano. Os programas de controle implementados muitas vezes falham, provavelmente, por ignorarem as características sociais, econômicas e demográficas das regiões onde a doença ocorre. Como parte de um estudo de tipo ecoepidemiológico, neste artigo apresentamos os resultados de um estudo sobre os Conhecimentos, Atitudes e Práticas (CAP) sobre a leishmaniose em populações rurales do município de Acandí, na região do Darien colombiano. Para o estudo foram utilizados ferramentas qualitativas como a etnografia e quantitativas como levantamentos. Os resultados indicam que a população desconhece aspectos fundamentais da LTA, como por exemplo, o vetor. Além disso, existem diferenças nos CAP por sexo e tipo de população, mas não pela área geográfica. Desta forma, a nossa abordagem evidencia a negligência dos entes públicos de saúde, encabeçados pelo governo do estado. Esta negligencia é um fator determinante na perpetuação da doença.

Molecular and supramolecular ionic aggregates H(x)O(y)(z) in organic and organometallic crystalline hydrates.

Ionic aggregates of the form H(x)O(y)(z) (z ≠ 0) have been characterized during an analysis of 245 crystal structures extracted from the Cambridge Structural Database [Allen (2002). Acta Cryst. B58, 380-388]. A systematic nomenclature is proposed for these species. Three modes of hydrogen bonding are described, characterized in part by the distance between contiguous O atoms: normal (NHB; O···O = 2.6-3.0 Å), charge assisted (CAHB; O···O = 2.5 Å) and molecular (MHB; O···O = 2.4 Å). The three modes are consistent with previous reports, our experimental results, and quantum-chemical-optimized geometries and energetics. No evidence is presented concerning the possible existence or stability of these aggregates in solution. Rather, emphasis is placed on the necessity in crystal structure analysis to develop thoroughly existing hydrogen-bonded networks, ignorance of which can lead to erroneous crystal structure models and other physico-chemical data associated with composition and charge balance.

Avoiding problems with hydrogen misplacement in reporting crystal structures.

Intermolecular hydrogen bonding is an integral part of many crystal structures. Hydrogen bonding sometimes results in one-, two- or three-dimensional supramolecular assemblies, a common feature of which is positional disorder of H atoms related to space-group symmetry. Yet some reported structures fail to include all possible donor­acceptor close contacts, or to seek H-atom electron densities associated with apparent D-H∙∙∙A trios, while some H-atom positions violate principles of chemistry or crystal physics. Modern diffraction equipment and sophisticated computing systems provide high-quality data; thus, failure to characterize and report fully an accurate, complete and physically correct hydrogen-bonding model should not be acceptable. We illustrate the relevant issues with three published examples in the hope of slowing the proliferation of these problems, with the scientifically desirable goal of improving the accuracy of crystallographic models while also providing improved search keys for information retrieval.

New structures of hydronium cation clusters.

Four new hydronium ion structures are investigated by means of quantum mechanical calculations at the DFT/B3LYP6-311+G(2d,2p) level of theory. There exist experimental crystallographic hydronium cations (H11O5 +) of two different geometrical structures, one BEXFEQ (acyclic) and one IYEPEH (cyclic). Molecular calculations reveal their relative stability. Another hydronium cation NEBDII (H15O7 +) when optimized reveals a totally new and unexpected structure. All three optimized structures are shown to be quite stable as judged by their binding energies, and therefore may possibly be found in solution. A main result of this article is the discovery of three new optimized structures of hydronium ions, all of which are preferentially ring structures. The optimized structure of H15O7 + is a cube lacking a vertex. Putting a water molecule at the "empty" vertex leads by energy optimization to a structure of H17O8 + which has the approximate symmetry of a cube. This cubic structure, as judged by its fragments, is one of the most interesting of the hydronium ions studied in this paper. The addition of H3O+ to a group of seven neutral molecules in the hypothetical reaction H3O+ + 7 H2O → H17O8 + induces two water molecules to each capture a proton at the expense of two other water molecules (converting them into hydroxyl anions) leading to a cluster with the formula [ H 3 O + 0.7 ] 3 [ H 2 O ] 3 + 0.1 [ OH - 0.6 ] 2 , where the superscripts are the integrated QTAIM atomic charges (in atomic units) on the respective species (inside the bracket) or on groups of a given species (outside the bracket). The cubic arrangement of 3H3O+.3H2O.2OH- is accompanied with a significant redistribution of charge: Each hydronium cation carries ca. +0.7 au, the hydroxyl anions only around -0.6 au each, while the water molecules remain quasi-neutral with a slight positive charge.

Leishmaniasis / No disponible

La leishmaniasis es una enfermedad parasitaria causada por parásitos protozoarios del género Leishmania, transmitidos por la picadura de insectos flebotomineos hematófagos que se han alimentado previamente en un hospedero reservorio infectado. Existen dos presentaciones clínicas básicas: leishmaniasis visceral (LV) o “kala-azar” y leishmaniasis cutánea (LC). VL es el más grave y es mortal en casi todos los casos si no se tratan oportunamente, mientras que CL se asocia con una fuerte tendencia hacia la resolución espontánea, pero causa estigma social y psicológico importante en las personas afectadas. La leishmaniasis es una problema de salud pública importante en muchos regiones del mundo. A pesar de los avances de la ciencia básica, la leishmaniasis sigue siendo prevalente (y de aparición reciente) en muchas partes del mundo y el tratamiento eficaz y la prevención de la enfermedad sigue siendo un desafío. Se requieren nuevos tratamientos farmacológicos, especialmente aquellos que pueden ser de fácil administración y bajo costo. Así mismo, se requiere que la investigación en vacunas avance lo más rápidamente posible desde los estudios pre-clínicos a los estudios clínicos. Esta revisión destaca los aspectos más importantes en el estudio del parásito de la leishmaniasis en relación con la biología y la taxonomía, el ciclo de la vida y la patogénesis de la enfermedad, la respuesta inmune, las formas clínicas de la leishmaniasis, el diagnóstico, el tratamiento y las medidas de prevención (AU)

Leishmaniasis is a parasitic disease caused by protozoan parasites of the genus Leishmania, transmitted by the bite of blood suckling insects, sandflies, which have previously fe don an infected reservoir host. There are two basic clinical presentations: visceral leishmaniasis (VL) or “kala-azar” and cutaneous leishmaniasis (CL). VL is the most severe and is fatal in almost all cases if left untreated, while CL is associated with a strong tendency toward spontaneous resolutionbut causes important social and psychological stigma. The leishmaniaiss is a significant remains prevalent (and newly emerging) in many parts of the world, and the effective treatment and prevention of disease continues to be a challenge. New drug therapies, especially those that can be easily and inexpensively administered are needed. Vaccine research must move as quickly as possible form pre-clinical to clinical studies. This review highlights the most important aspects in the study of leishmaniasis related to parasite biology and taxonomy , life cycle and disease pathogenesis, immune response, clinical aspects, diagnosis treatment and prevention (AU)

Differentiation of Leishmania (Viannia) panamensis and Leishmania (V.) guyanensis using BccI for hsp70 PCR-RFLP.

Leishmania panamensis and Leishmania guyanensis are two species of the subgenus Viannia that are genetically very similar. Both parasites are usually associated with cutaneous leishmaniasis, but also have the potential to cause the mucocutaneous form of the disease. In addition, the study of foci and consequently the identification of vectors and probable reservoirs involved in transmission require a correct differentiation between both species, which is important at epidemiological level. We explored the possibility of identifying these species by using restriction fragment length polymorphisms (RFLP) in the gene coding for heat-shock protein 70 (hsp70). Previously, an hsp70 PCR-RFLP assay proved to be very effective in differentiating other Leishmania species when HaeIII is used as restriction enzyme. Based on hsp70 sequences analysis, BccI was found to generate species-specific fragments that can easily be recognized by agarose gel electrophoresis. Using the analysis of biopsies, scrapings, and parasite isolates previously grouped in a cluster comprising both L. panamensis and L. guyanensis, we showed that our approach allowed differentiation of both entities. This offers the possibility not only for identification of parasites in biological samples, but also to apply molecular epidemiology in certain countries of the New World, where several Leishmania species could coexist.