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1.
Sci Total Environ ; 950: 175212, 2024 Nov 10.
Artículo en Inglés | MEDLINE | ID: mdl-39117237

RESUMEN

Microplastics (MPs) are distributed throughout the world oceans and represent one of the greatest environmental concerns of marine pollution. In the Gulf of Cadiz (GoC), MPs are found throughout the water column, on the seafloor, and accumulated within commercial marine species, primarily due to discharges from the main estuaries. The aim of this study was to analyse the transport pathways, spatial distribution, and accumulation regions of MPs in the GoC based on their density and source. For this, a Lagrangian transport model was coupled to a high-resolution hydrodynamic model and four particle sources were considered: Cape San Vicente, Guadiana Estuary, Guadalquivir Estuary, and Bay of Cadiz/Guadalete River. To account for the diversity of plastics detected in the GoC, particles with ten different densities were used, from low-density to high-density polymers. This study indicates that a significant proportion of low-density MPs accumulate near their sources and within the top few centimetres of the water column due to local surface currents. The Guadalquivir and Guadiana estuaries are the primary contributors to the high accumulation of low-density MPs on the GoC eastern shelf, consistent with previous field studies identifying these estuaries as the main sources of MPs into the region, including polyethylene and polypropylene. In contrast, the Bay of Cadiz/Guadalete River seems to be the primary source of low-density MPs in offshore waters within the uppermost meter of the water column, influenced by local mesoscale features. The Guadalquivir Estuary seems to be the main source of high-density MPs into the continental shelves, such as polystyrene, polyamide, and polyvinyl chloride, followed by the Bay of Cadiz/Guadalete River, and to a lesser extent, the Guadiana estuary. These MPs accumulate near their sources at depths of 3.5 to 50 m due to their high sinking rates, but can also be transported offshore by deep currents, either northwards along the Portuguese offshore waters or westwards off the GoC offshore region.

2.
J Intensive Care Soc ; 24(2): 227-229, 2023 May.
Artículo en Inglés | MEDLINE | ID: mdl-37260434

RESUMEN

Methods of continuous renal replacement therapy (CRRT) in extracorporeal membrane oxygenation (ECMO) patients include dedicated central venous cannula (CVC) (vCRRT), in-series with filter connected to ECMO circuit (eCRRT) or in-line with haemodiafilter incorporated within ECMO circuit. We assessed the efficacy and safety of eCRRT versus vCRRT in 20 ECMO-CRRT patients. Average filter lifespan was 42 vs 28 hours and filter runs completing 72hours were 40% vs 13.8% (eCRRT vs vCRRT, respectively). One incidence of ECMO circuit air embolus occurred (vCRRT). eCRRT achieved adequate filtration and increased filter lifespan, and has become our default for ECMO-CRRT if a pre-existing dialysis CVC is not present.

3.
Mar Pollut Bull ; 174: 113292, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-35090277

RESUMEN

Small microplastics (SMPs) in the gulf of Cadiz was sampled at 5 m depth by pumping it through the ship's pipe system and filtered through a 45 µm mesh size net. Our study reveals that higher densities have been found (130 mg·m-3) compared to other regions worldwide and these densities decreased from the coastline to the outer stations, showing a general coastal gradient influenced by estuarine outflows. SMPs with a size range between 45 and 193 µm were predominant and most of them composed by polyethylene and polypropylene. The metals associated with the MPs were mainly Na (21.1%), K (11.3%), Fe (8.5%), Ca (2.1%), Cr (1.8%), Zr (13.3%) and Hf (0.7%). The high proportion of Zr compared to Fe, which is different from what can be found in the environment, suggests that this metal is intrinsic to the materials used in catalytic processes during plastic production.


Asunto(s)
Contaminantes Ambientales , Contaminantes Químicos del Agua , Monitoreo del Ambiente , Microplásticos , Plásticos , Contaminantes Químicos del Agua/análisis
4.
An Acad Bras Cienc ; 93(suppl 4): e20210413, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34878050

RESUMEN

Access to genetic resources (GR) and/or traditional knowledge associated with genetic resources (ATK) has been regulated in Brazil since 2001. The law 13,123 / 2015 determined a significant change in the theme, mainly on the rules of distribution of benefits obtained for conservation and sustainable use of biodiversity, the access to technology and technology transfer, the exploitation of products or reproductive material from the GR or ATK and consignment to the outside of part or all the living or dead organism shipped for GR. The implementation of international treaties on GR and ATK for research, biotechnological development and bioprospecting have been causing difficulties for Brazilian researchers, mainly due to the lack of information and dissemination available for compliance with the legislation. In this work, the members of the Committee for Access to Genetic Resources and Associated Traditional Knowledge of the Federal Fluminense University (UFFGEN) - Brazil, and collaborators performed a critical reflection on the new law, helping Brazilian researchers with information necessary to understand the changes made by the new legislation, especially in the field of Biotechnology associated with Brazilian Biodiversity.


Asunto(s)
Biodiversidad , Biotecnología , Brasil , Humanos , Cooperación Internacional , Conocimiento
5.
Proc Natl Acad Sci U S A ; 117(36): 22281-22292, 2020 09 08.
Artículo en Inglés | MEDLINE | ID: mdl-32843340

RESUMEN

Seawater Mg:Ca and Sr:Ca ratios are biogeochemical parameters reflecting the Earth-ocean-atmosphere dynamic exchange of elements. The ratios' dependence on the environment and organisms' biology facilitates their application in marine sciences. Here, we present a measured single-laboratory dataset, combined with previous data, to test the assumption of limited seawater Mg:Ca and Sr:Ca variability across marine environments globally. High variability was found in open-ocean upwelling and polar regions, shelves/neritic and river-influenced areas, where seawater Mg:Ca and Sr:Ca ratios range from ∼4.40 to 6.40 mmol:mol and ∼6.95 to 9.80 mmol:mol, respectively. Open-ocean seawater Mg:Ca is semiconservative (∼4.90 to 5.30 mol:mol), while Sr:Ca is more variable and nonconservative (∼7.70 to 8.80 mmol:mol); both ratios are nonconservative in coastal seas. Further, the Ca, Mg, and Sr elemental fluxes are connected to large total alkalinity deviations from International Association for the Physical Sciences of the Oceans (IAPSO) standard values. Because there is significant modern seawater Mg:Ca and Sr:Ca ratios variability across marine environments we cannot absolutely assume that fossil archives using taxa-specific proxies reflect true global seawater chemistry but rather taxa- and process-specific ecosystem variations, reflecting regional conditions. This variability could reconcile secular seawater Mg:Ca and Sr:Ca ratio reconstructions using different taxa and techniques by assuming an error of 1 to 1.50 mol:mol, and 1 to 1.90 mmol:mol, respectively. The modern ratios' variability is similar to the reconstructed rise over 20 Ma (Neogene Period), nurturing the question of seminonconservative behavior of Ca, Mg, and Sr over modern Earth geological history with an overlooked environmental effect.

6.
Alerta (San Salvador) ; Vol.3(1): 18-22, ene. 27, 2020. ilus
Artículo en Español | LILACS, BISSAL | ID: biblio-1050958

RESUMEN

El carcinoma basocelular es una de las neoplasias más comunes en seres humanos y es el más frecuente dentro del grupo de carcinomas cutáneos no melanoma. Se origina en células basales de la epidermis y folículos pilosos. Suele ser de lento crecimiento y poco agresivo y genera metástasis en la mayoría de los casos. El carcinoma basocelular tiene diferentes tipos, el nodular, ulcerativo, esclerodermiforme, pigmentado y el superficial. El tipo pigmentado posee la peculiaridad de ser confundido con otras patologías, como por ejemplo, con una queratosis seborreica, un melanoma maligno o un nevo azul, por lo que siempre es necesario investigar ante la sospecha clínica.


Basal cell carcinoma is one of the most common neoplasms in humans and, within a group of non-melanoma skin carcinomas, the most common one. Originating from epidermis basal cells and hair follicles, it grows slowly, it is not very aggressive and in most cases, it doesn´t tend to emit metastases. Nonetheless, it has different cellular types: nodular, ulcerative, sclerosing, pigmented and superficial. The pigmented variant has the peculiarity of being confused with other pathologies such as seborrheic keratosis, malignant melanoma, and blue nevus, being mandatory to investigate on clinical suspicion


Asunto(s)
Humanos , Neoplasias , El Salvador
7.
Sci Total Environ ; 630: 1583-1595, 2018 Jul 15.
Artículo en Inglés | MEDLINE | ID: mdl-29554775

RESUMEN

Dissolved organic matter (DOM) is a major component of the organic matter pool, playing a key role in the global ocean functioning. However, studies on DOM in waters of many ocean regions, such as the Gulf of Cadiz (GoC), are poorly known. Advanced aquatic sensors enable autonomous for long-term deployments in situ collection of high frequency DOM data using fluorescent dissolved organic matter (FDOM) as a proxy. The present study evaluates the relevance of FDOM, the estuarine influence and the environmental factors that determine its spatial distribution in the GoC. Our results suggest that the GoC water mass, under the estuarine influence of three main rivers, is receiving large amounts of DOM transported mainly by Guadalquivir and Guadiana rivers and much less from Tinto-Odiel. Salinity is the main factor explaining the FDOM variability within the Guadalquivir and Guadiana rivers and in the inner shelf of the GoC. In the outer shelf of the GoC, plankton-produced DOM could explain the persistent spatial pattern of FDOM, playing an important role in the dynamics of FDOM from the North area of the GoC through the persistent low-salinity Eastern North Atlantic Central Water. The oceanographic dynamics and the spatial pattern of FDOM concentration in the continental shelf of the GoC suggest a net transport of FDOM through the GCC (Gulf of Cadiz Current) to the Mediterranean Sea.

8.
Indian Pacing Electrophysiol J ; 17(5): 140-145, 2017.
Artículo en Inglés | MEDLINE | ID: mdl-29192590

RESUMEN

BACKGROUND: The incidence of electrical storm (ES) has been increasing with the rise of the indicated uses of implantable cardioverter defibrillators (ICDs). It is estimated that 20% of patients will evolve to have this complication. Ablative therapy stands out as the treatment for this condition when it is refractory to antiarrhythmic treatment. The objective was to define the current role of catheter ablation in the treatment of electrical storm. METHODS: An integrative literature review was performed using the PubMed and BVS databases. All identified articles were screened and verified for eligibility by the authors. RESULTS: Twenty-five out of the initial 951 articles were used in the final analysis. The categories listed for analysis included indication for ablation in ES, modality of the approach, therapeutic success, complications related to the procedure, mortality and cardiovascular follow-up and alternative therapeutic modalities by frequency of these categories in the articles researched. CONCLUSION: Catheter ablation is the initial therapy for patients with ischemic cardiomyopathy (ICM) and ES. The endocardial approach presents more relevant success rates than the other therapeutic methods presented.

9.
Sci Adv ; 3(11): eaao0609, 2017 11.
Artículo en Inglés | MEDLINE | ID: mdl-29152570

RESUMEN

The pathways and transformations of dense water overflows, which depend on small-scale interactions between flow dynamics and erosional-depositional processes, are a central piece in the ocean's large-scale circulation. A novel, high-resolution current and hydrographic data set highlights the intricate pathway travelled by the saline Mediterranean Overflow as it enters the Atlantic. Interaction with the topography constraints its spreading. Over the initial 200 km west of the Gibraltar gateway, distinct channels separate the initial gravity current into several plunging branches depth-sorted by density. Shallow branches follow the upper slope and eventually detach as buoyant plumes. Deeper branches occupy mid slope channels and coalesce upon reaching a diapiric ridge. A still deeper branch, guided by a lower channel wall marked by transverse furrows, experiences small-scale overflows which travel downslope to settle at mid-depths. The Mediterranean salt flux into the Atlantic has implications for the buoyancy balance in the North Atlantic. Observations on how this flux enters at different depth levels are key to accurately measuring and understanding the role of Mediterranean Outflow in future climate scenarios.

10.
Rev Col Bras Cir ; 44(5): 465-470, 2017.
Artículo en Inglés, Portugués | MEDLINE | ID: mdl-29019575

RESUMEN

OBJECTIVE: to study the epidemiological profile of patients with colorectal cancer operated on an emergency basis at the Bonsucesso Federal Hospital. METHODS: this is a retrospective study of patients operated between January 1999 and December 2012. We analyzed the following variables: age, gender, clinical data, TMN staging, tumor location, survival and types of surgery. RESULTS: we evaluated 130 patients in the study period. The most frequent clinical picture was intestinal obstruction, in 78% of cases. Intestinal perforation was the surgical indication in 15%. The majority (39%) of the patients had advanced TNM staging, compared with 27% in the initial stage. There were 39 deaths (30%) documented in the period. The most common tumor site was the sigmoid colon (51%), followed by the ascending colon (16%). The curative intent was performed in most cases, with adjuvant treatment being performed in 40% of the patients. Distant metastases were found in 42% of the patients and 10% had documented disease recurrence. Disease-free survival at two and five years was 69% and 41%, respectively. CONCLUSION: there was a high mortality rate and a low survival rate in colorectal cancer patients operated on urgently.


Asunto(s)
Neoplasias del Colon/epidemiología , Neoplasias del Colon/cirugía , Tratamiento de Urgencia , Femenino , Humanos , Masculino , Persona de Mediana Edad , Estudios Retrospectivos , Tasa de Supervivencia
11.
Rev. Col. Bras. Cir ; 44(5): 465-470, Sept.-Oct. 2017. graf
Artículo en Inglés | LILACS | ID: biblio-896611

RESUMEN

ABSTRACT Objective: to study the epidemiological profile of patients with colorectal cancer operated on an emergency basis at the Bonsucesso Federal Hospital. Methods: this is a retrospective study of patients operated between January 1999 and December 2012. We analyzed the following variables: age, gender, clinical data, TMN staging, tumor location, survival and types of surgery. Results: we evaluated 130 patients in the study period. The most frequent clinical picture was intestinal obstruction, in 78% of cases. Intestinal perforation was the surgical indication in 15%. The majority (39%) of the patients had advanced TNM staging, compared with 27% in the initial stage. There were 39 deaths (30%) documented in the period. The most common tumor site was the sigmoid colon (51%), followed by the ascending colon (16%). The curative intent was performed in most cases, with adjuvant treatment being performed in 40% of the patients. Distant metastases were found in 42% of the patients and 10% had documented disease recurrence. Disease-free survival at two and five years was 69% and 41%, respectively. Conclusion: there was a high mortality rate and a low survival rate in colorectal cancer patients operated on urgently.


RESUMO Objetivos: estudar o perfil epidemiológico de pacientes com câncer colorretal operados em caráter de urgência no Hospital Federal de Bonsucesso. Métodos: estudo retrospectivo de pacientes operados entre janeiro de 1999 e dezembro de 2012. Foram analisadas as seguintes variáveis: idade, sexo, dados clínicos, estadiamento TMN, localização do tumor, sobrevida e tipos de cirurgia. Resultados: foram avaliados 130 pacientes no período do estudo. O quadro clínico mais observado foi a obstrução intestinal, em 78% dos casos. Perfuração intestinal foi a indicação cirúrgica em 15%. A maior parte (39%) dos pacientes apresentava estadiamento TNM avançado da doença, contra 27% em estágio inicial. Houve 39 óbitos (30%) documentados no período. A localização mais comum da doença foi no cólon sigmoide (51%), seguido do cólon ascendente (16%). A intenção curativa foi realizada na maioria dos casos, sendo o tratamento adjuvante realizado em 40% dos pacientes. Metástases à distância foram encontradas em 42% dos pacientes e 10% apresentaram recidiva documentada da doença. A sobrevida livre de doença em dois e cinco anos foi de 69% e 41% respectivamente. Conclusão: houve alta mortalidade e baixa sobrevida em pacientes com câncer colorretal operados de urgência.


Asunto(s)
Humanos , Masculino , Femenino , Neoplasias del Colon/cirugía , Neoplasias del Colon/epidemiología , Tratamiento de Urgencia , Tasa de Supervivencia , Estudios Retrospectivos , Persona de Mediana Edad
12.
Rev Col Bras Cir ; 42(5): 337-40, 2015.
Artículo en Inglés, Portugués | MEDLINE | ID: mdl-26648153

RESUMEN

The authors describe a surgical technique which allows, without increasing costs, to perform laparoscopic cholecystectomy with a single incision, without using specific materials and with better surgical ergonomics. The technique consists of a longitudinal umbilical incision, navel detachment, use of a permanent 10mm trocar and two clamps directly and bilaterally through the aponeurosis without the use of 5mm trocars, transcutaneous gallbladder repair with straight needle cotton suture, ligation with unabsorbable suture and umbilical incision for the specimen extraction. The presented technique enables the procedure with conventional and permanent materials, improving surgical ergonomics, with safety and aesthetic advantages.


Asunto(s)
Colecistectomía Laparoscópica , Ergonomía , Estética , Humanos , Ligadura , Suturas
13.
Rev. Col. Bras. Cir ; 42(5): 337-340, Sept.-Oct. 2015. graf
Artículo en Portugués | LILACS | ID: lil-767852

RESUMEN

The authors describe a surgical technique which allows, without increasing costs, to perform laparoscopic cholecystectomy with a single incision, without using specific materials and with better surgical ergonomics. The technique consists of a longitudinal umbilical incision, navel detachment, use of a permanent 10mm trocar and two clamps directly and bilaterally through the aponeurosis without the use of 5mm trocars, transcutaneous gallbladder repair with straight needle cotton suture, ligation with unabsorbable suture and umbilical incision for the specimen extraction. The presented technique enables the procedure with conventional and permanent materials, improving surgical ergonomics, with safety and aesthetic advantages.


Os autores descrevem uma técnica operatória que permite, sem aumento do custo, realizar a colecistectomia videolaparoscópicas, por única incisão, sem necessidade de utilizar materiais específicos, com melhor ergonomia cirúrgica. A técnica consiste na incisão umbilical longitudinal, descolamento de cicatriz umbilical, utilização de trocarter permanente de 10mm e duas pinças atravessando diretamente a aponeurose bilateralmente sem uso de trocarteres de 5mm, reparo de vesícula biliar transcutânea com fio de algodão de agulha reta, ligadura com fio inabsorvível e extração de peça cirúrgica por incisão umbilical. A técnica apresentada viabiliza o procedimento com materiais convencionais e permanentes, melhora a ergonomia cirúrgica, com segurança e vantagens estéticas.


Asunto(s)
Humanos , Colecistectomía Laparoscópica , Ergonomía , Suturas , Estética , Ligadura
14.
Biotechnol Bioeng ; 111(7): 1296-303, 2014 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-24420494

RESUMEN

The use of protein crystals as a source of nanoscale biotemplates has attracted growing interest in recent years owing to their inherent internal order. As these crystals are vulnerable to environmental changes, potential applications require their stabilization by chemical crosslinking. We have previously shown that such intermolecular chemical crosslinking reactions occurring within protein crystals are not random events, but start at preferred crosslinking sites imposed by the alignment of protein molecules and their packing within the crystalline lattice. Here we propose a new working hypothesis and demonstrate its feasibility in enabling us to extricate homogeneous populations of single protein molecules that display chemical point mutations or of dimers that show homogeneous chemical crosslinking, and that have the potential for isolation of higher structures. Characterization of the crosslinking mechanism and its end products opens the way to the potential retrieval of such specific modified/intermolecular crosslinked products simply by effecting partial crosslinking at identified preferred sites, followed by time-controlled arrest of the crosslinking reaction and dissolution of the crystals by medium exchange complemented by chromatographic purification.


Asunto(s)
Estabilidad Proteica , Proteínas/química , Cristalización
15.
Graefes Arch Clin Exp Ophthalmol ; 251(2): 491-4, 2013 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-22619071

RESUMEN

PURPOSE: To evaluate the physiological and behavioral pain response in premature infants receiving intravitreal bevacizumab injection (IVB) for retinopathy of prematurity (ROP) under topical anesthesia. METHODS: A prospective interventional non-comparative case series. Premature infants with high-risk prethreshold or threshold ROP received IVB using topical anesthesia with tetracaine eye drops. A Premature Infant Pain Profile was used to assess the pain response during the procedure. RESULTS: Nine premature infants requiring bilateral IVB therapy were included in the study. Mean gestational age was 28.7 ± 1.3 weeks, and birth weight was 1,200 ± 194 grams. The mean total pain score was found to be 8.7 ± 2.4 (range 5-14), indicating generally mild pain during the procedure. Eye squeeze was the most prominent indicator of pain. Most changes occurred at the beginning, with the insertion of the lid speculum and were hardly noted during the rest of the procedure including the injection itself. CONCLUSION: Topical anesthesia with tetracaine is an effective method for the relief of pain associated with intravitreal injections in premature infants with ROP.


Asunto(s)
Inhibidores de la Angiogénesis/uso terapéutico , Anticuerpos Monoclonales Humanizados/uso terapéutico , Dolor Ocular/diagnóstico , Recien Nacido Prematuro , Retinopatía de la Prematuridad/tratamiento farmacológico , Anestesia Local , Anestésicos Locales/administración & dosificación , Inhibidores de la Angiogénesis/administración & dosificación , Anticuerpos Monoclonales Humanizados/administración & dosificación , Bevacizumab , Femenino , Edad Gestacional , Humanos , Lactante , Recién Nacido , Recién Nacido de muy Bajo Peso , Inyecciones Intravítreas , Masculino , Dimensión del Dolor , Estudios Prospectivos , Neovascularización Retiniana/tratamiento farmacológico , Tetracaína/administración & dosificación , Factor A de Crecimiento Endotelial Vascular/antagonistas & inhibidores
16.
J Synchrotron Radiat ; 20(Pt 1): 14-22, 2013 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-23254652

RESUMEN

The radiation damage rates to crystals of 15 model macromolecular structures were studied using an automated radiation sensitivity characterization procedure. The diffracted intensity variation with dose is described by a two-parameter model. This model includes a strong resolution-independent decay specific to room-temperature measurements along with a linear increase in overall Debye-Waller factors. An equivalent representation of sensitivity via a single parameter, normalized half-dose, is introduced. This parameter varies by an order of magnitude between the different structures studied. The data show a correlation of crystal radiation sensitivity with crystal solvent content but no dose-rate dependency was detected in the range 0.05-300 kGy s(-1). The results of the crystal characterization are suitable for either optimal planning of room-temperature data collection or in situ crystallization plate screening experiments.


Asunto(s)
Cristalografía por Rayos X , Proteínas/efectos de la radiación , Animales , Cristalización , Modelos Químicos , Solventes , Temperatura
17.
Acta Crystallogr D Biol Crystallogr ; 68(Pt 8): 975-84, 2012 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-22868763

RESUMEN

The automation of beam delivery, sample handling and data analysis, together with increasing photon flux, diminishing focal spot size and the appearance of fast-readout detectors on synchrotron beamlines, have changed the way that many macromolecular crystallography experiments are planned and executed. Screening for the best diffracting crystal, or even the best diffracting part of a selected crystal, has been enabled by the development of microfocus beams, precise goniometers and fast-readout detectors that all require rapid feedback from the initial processing of images in order to be effective. All of these advances require the coupling of data feedback to the experimental control system and depend on immediate online data-analysis results during the experiment. To facilitate this, a Data Analysis WorkBench (DAWB) for the flexible creation of complex automated protocols has been developed. Here, example workflows designed and implemented using DAWB are presented for enhanced multi-step crystal characterizations, experiments involving crystal reorientation with kappa goniometers, crystal-burning experiments for empirically determining the radiation sensitivity of a crystal system and the application of mesh scans to find the best location of a crystal to obtain the highest diffraction quality. Beamline users interact with the prepared workflows through a specific brick within the beamline-control GUI MXCuBE.


Asunto(s)
Cristalografía por Rayos X/métodos , Sustancias Macromoleculares/química , Proteínas/química , Automatización , Bioquímica/métodos , Biología Computacional/métodos , Gráficos por Computador , Cristalización , Diseño de Equipo , Proyectos de Investigación , Programas Informáticos , Sincrotrones , Interfaz Usuario-Computador , Flujo de Trabajo
18.
Acta Crystallogr D Biol Crystallogr ; 68(Pt 6): 649-58, 2012 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-22683787

RESUMEN

It is generally assumed that the quality of X-ray diffraction data can be improved by merging data sets from several crystals. However, this effect is only valid if the data sets used are from crystals that are structurally identical. It is found that frozen macromolecular crystals very often have relatively low structure identity (and are therefore not isomorphous); thus, to obtain a real gain from multi-crystal data sets one needs to make an appropriate selection of structurally similar crystals. The application of hierarchical cluster analysis, based on the matrix of the correlation coefficient between scaled intensities, is proposed for the identification of isomorphous data sets. Multi-crystal single-wavelength anomalous dispersion data sets from four different protein molecules have been probed to test the applicability of this method. The use of hierarchical cluster analysis permitted the selection of batches of data sets which when merged together significantly improved the crystallographic indicators of the merged data and allowed solution of the structure.


Asunto(s)
Cristalografía por Rayos X/métodos , Proteínas/análisis , Animales , Bovinos , Análisis por Conglomerados , Modelos Moleculares , Estructura Terciaria de Proteína
19.
Bioinformatics ; 27(22): 3186-92, 2011 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-21949273

RESUMEN

MOTIVATION: Individual research groups now analyze thousands of samples per year at synchrotron macromolecular crystallography (MX) resources. The efficient management of experimental data is thus essential if the best possible experiments are to be performed and the best possible data used in downstream processes in structure determination pipelines. Information System for Protein crystallography Beamlines (ISPyB), a Laboratory Information Management System (LIMS) with an underlying data model allowing for the integration of analyses down-stream of the data collection experiment was developed to facilitate such data management. RESULTS: ISPyB is now a multisite, generic LIMS for synchrotron-based MX experiments. Its initial functionality has been enhanced to include improved sample tracking and reporting of experimental protocols, the direct ranking of the diffraction characteristics of individual samples and the archiving of raw data and results from ancillary experiments and post-experiment data processing protocols. This latter feature paves the way for ISPyB to play a central role in future macromolecular structure solution pipelines and validates the application of the approach used in ISPyB to other experimental techniques, such as biological solution Small Angle X-ray Scattering and spectroscopy, which have similar sample tracking and data handling requirements.


Asunto(s)
Cristalografía por Rayos X/métodos , Sistemas de Información Administrativa , Proteínas/química , Sincrotrones , Cristalografía por Rayos X/instrumentación , Recolección de Datos , Sustancias Macromoleculares/química , Difracción de Rayos X
20.
J Synchrotron Radiat ; 18(Pt 3): 381-6, 2011 May.
Artículo en Inglés | MEDLINE | ID: mdl-21525646

RESUMEN

A reliable and reproducible method to automatically characterize the radiation sensitivity of macromolecular crystals at the ESRF beamlines has been developed. This new approach uses the slope of the linear dependence of the overall isotropic B-factor with absorbed dose as the damage metric. The method has been implemented through an automated procedure using the EDNA on-line data analysis framework and the MxCuBE data collection control interface. The outcome of the procedure can be directly used to design an optimal data collection strategy. The results of tests carried out on a number of model and real-life crystal systems are presented.

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