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1.
Phys Chem Chem Phys ; 24(26): 16374-16387, 2022 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-35762846

RESUMO

Exploration of chemical composition and structural configuration space is the central problem in crystal structure prediction. Even in limiting structure space to a single structure type, many different compositions and configurations are possible. In this work, we attempt to address this problem using an extension to the existing ChemDASH code in which variable compositions can be explored. We show that ChemDASH is an efficient method for exploring a fixed-composition space of spinel structures and build upon this to include variable compositions in the Mn-Fe-Zn-O spinel phase field. This work presents the first basin-hopping crystal structure prediction method that can explore variable compositions.

2.
J Phys Condens Matter ; 33(26)2021 May 31.
Artigo em Inglês | MEDLINE | ID: mdl-33902025

RESUMO

Use ofin situcombined x-ray diffraction and x-ray absorption spectroscopy for the study of the thermal decomposition of zinc peroxide to zinc oxide is reported here. Comparison of data extracted from both x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) with thermo gravimetric analysis (TGA) enabled us to follow the nature of the conversion of ZnO2to ZnO. A temperature range between 230 °C and 350 °C appears to show that a very poorly crystalline ZnO is formed prior to the formation of an ordered ZnO material. Both the decrease in white line intensity in the Zn K-edge XANES and resulting lower coordination numbers estimated from analysis of the Zn K-edge data of ZnO heated at 500 °C, in comparison to bulk ZnO, suggest that the ZnO produced by this method has significant defects in the system.

3.
Sci Rep ; 11(1): 178, 2021 01 08.
Artigo em Inglês | MEDLINE | ID: mdl-33420312

RESUMO

Rice blast (caused by Magnaporthe oryzae) and sheath rot diseases (caused by Sarocladium oryzae) are the most predominant seed-borne pathogens of rice. The detection of both pathogens in rice seed is essential to avoid production losses. In the present study, a microdevice platform was designed, which works on the principles of loop-mediated isothermal amplification (LAMP) to detect M. oryzae and S. oryzae in rice seeds. Initially, a LAMP, polymerase chain reaction (PCR), quantitative PCR (qPCR), and helicase dependent amplification (HDA) assays were developed with primers, specifically targeting M. oryzae and S. oryzae genome. The LAMP assay was highly efficient and could detect the presence of M. oryzae and S. oryzae genome at a concentration down to 100 fg within 20 min at 60 °C. Further, the sensitivity of the LAMP, HDA, PCR, and qPCR assays were compared wherein; the LAMP assay was highly sensitive up to 100 fg of template DNA. Using the optimized LAMP assay conditions, a portable foldable microdevice platform was developed to detect M. oryzae and S. oryzae in rice seeds. The foldable microdevice assay was similar to that of conventional LAMP assay with respect to its sensitivity (up to 100 fg), rapidity (30 min), and specificity. This platform could serve as a prototype for developing on-field diagnostic kits to be used at the point of care centers for the rapid diagnosis of M. oryzae and S. oryzae in rice seeds. This is the first study to report a LAMP-based foldable microdevice platform to detect any plant pathogens.


Assuntos
Hypocreales/isolamento & purificação , Dispositivos Lab-On-A-Chip , Magnaporthe/isolamento & purificação , Técnicas de Diagnóstico Molecular/instrumentação , Técnicas de Amplificação de Ácido Nucleico/instrumentação , Oryza/microbiologia , Sementes/microbiologia , Hypocreales/genética , Limite de Detecção , Magnaporthe/genética , Fatores de Tempo
4.
Saudi Med J ; 37(5): 538-43, 2016 May.
Artigo em Inglês | MEDLINE | ID: mdl-27146617

RESUMO

OBJECTIVES: To report 2-years experience of using transfusion-related quality indicators as a tool in hemovigilance system implementation.  METHODS: The study was carried out between 2012 and 2013. Blood transfusion service data were prospectively collected at King Abdulaziz University Hospital, Jeddah, Saudi Arabia. Donor reactions, transfusion reactions, fresh frozen plasma (FFP) in-date wastage, incidents, and errors pertaining to orders, or requests were collected quarterly and prospectively and forwarded to the Hospital Transfusion Committee (HTC) for review.  RESULTS: Donor population consisted of 23,132 donors. One hundred and forty-eight donor reactions were reported, resulting in a rate of 0.6%. Eighty-four transfusion reactions were reported and most were allergic reactions (79.7%). Errors or incidents were reported with approximately 0.3% of the total number of submitted samples/request forms. The FFP in-date wastage was 21.3% of the total FFP wastage. The HTC regularly reviewed the hemovigilance data and reporting; and safety improvements were implemented.  CONCLUSION: The use of quality indicators as a tool for developing and implementing a hemovigilance system provided a better understanding of improvement areas for continuous progress in quality and safety, and is expected to enhance these features along the blood transfusion chain.


Assuntos
Transfusão de Sangue , Centros de Atenção Terciária , Doadores de Sangue , Feminino , Humanos , Masculino , Arábia Saudita , Reação Transfusional
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