Abstract:This review is presented as a common foundation for scientists interested in nanoparticles, their origin, activity, and biological toxicity. It is written with the goal of rationalizing and informing public health concerns related to this sometimes-strange new science of 'nano', while raising awareness of nanomaterials' toxicity among scientists and manufacturers handling them. We show that humans have always been exposed to tiny particles via dust storms, volcanic ash, and other natural processes, and that ou… Show more
“…If NPs form clusters, they may behave like larger particles due to their increased hydrodynamic size (Buzea, Pacheco, & Robbie, 2007). Since agglomeration could affect critical physico-chemical features such as particle size and size distribution, the biological effects of these changes should be identified to avoid incorrect estimation of toxic potential of ENMs (Dhawan & Sharma, 2010;Jiang, Oberdörster, & Biswas, 2009).…”
There is an increasing recognition that nanomaterials pose a risk to human health, and that the novel engineered nanomaterials (ENMs) in the nanotechnology industry and their increasing industrial usage poses the most immediate problem for hazard assessment, as many of them remain untested. The large number of materials and their variants (different sizes and coatings for instance) that require testing and ethical pressure towards non-animal testing means that expensive animal bioassay is precluded, and the use of (quantitative) structure activity relationships ((Q)SAR) models as an alternative source of hazard information should be explored.(Q)SAR modelling can be applied to fill the critical knowledge gaps by making the best use of existing data, prioritize physicochemical parameters driving toxicity, and provide practical solutions to the risk assessment problems caused by the diversity of ENMs. This paper covers the core components required for successful application of (Q)SAR technologies to ENMs toxicity prediction, and summarizes the published nano-(Q)SAR studies and outlines the challenges ahead for nano-(Q)SAR modelling. It provides a critical review of (1) the present status of the availability of ENMs characterization/toxicity data, (2) the characterization of nanostructures that meets the need of (Q)SAR analysis, (3) the summary of published nano-(Q)SAR studies and their limitations, (4) the in silico tools for (Q)SAR screening of nanotoxicity and (5) the prospective directions for the development of nano-(Q)SAR models.
“…If NPs form clusters, they may behave like larger particles due to their increased hydrodynamic size (Buzea, Pacheco, & Robbie, 2007). Since agglomeration could affect critical physico-chemical features such as particle size and size distribution, the biological effects of these changes should be identified to avoid incorrect estimation of toxic potential of ENMs (Dhawan & Sharma, 2010;Jiang, Oberdörster, & Biswas, 2009).…”
There is an increasing recognition that nanomaterials pose a risk to human health, and that the novel engineered nanomaterials (ENMs) in the nanotechnology industry and their increasing industrial usage poses the most immediate problem for hazard assessment, as many of them remain untested. The large number of materials and their variants (different sizes and coatings for instance) that require testing and ethical pressure towards non-animal testing means that expensive animal bioassay is precluded, and the use of (quantitative) structure activity relationships ((Q)SAR) models as an alternative source of hazard information should be explored.(Q)SAR modelling can be applied to fill the critical knowledge gaps by making the best use of existing data, prioritize physicochemical parameters driving toxicity, and provide practical solutions to the risk assessment problems caused by the diversity of ENMs. This paper covers the core components required for successful application of (Q)SAR technologies to ENMs toxicity prediction, and summarizes the published nano-(Q)SAR studies and outlines the challenges ahead for nano-(Q)SAR modelling. It provides a critical review of (1) the present status of the availability of ENMs characterization/toxicity data, (2) the characterization of nanostructures that meets the need of (Q)SAR analysis, (3) the summary of published nano-(Q)SAR studies and their limitations, (4) the in silico tools for (Q)SAR screening of nanotoxicity and (5) the prospective directions for the development of nano-(Q)SAR models.
“…Quando o termo C nm ({R}, ∇) é nulo, é possível escrever a equação de Schrödinger à luz da abordagem de Born-Oppenheimer para cada movimento nuclear, isto é, 9) em que E ele,m ({R}) é o potencial efetivo para o movimento nuclear para um conjunto de pontos fixos em {R}, definindo uma superfície de energia potencial (SEP). Por sua vez, quando C nm ({R}, ∇) é não-nulo, diz-se que o sistema é não-adiabático, pois diferentes estados encontram-se acoplados.…”
Section: Conclusãounclassified
“…Os efeitos quânticos ocorrem devido à discretização dos estados eletrônicos devido ao confinamento dos elétrons no espaço. 8,9 Nesse texto, o termo nanocluster unário é usado para se referir a partículas compostas por um único metal e o termo nanoliga é usado para se referir a partículas compostas por dois ou mais metais. Os nanoclusters metálicos são altamente sensíveis à variação de tamanho e geometria, podendo apresentar propriedades físico-químicas diferenciadas pelo acréscimo ou decréscimo de um único átomo na estrutura.…”
“…1 However, many researches indicated that, not all uses of nanomaterials in food and agriculture will result in exposure, and not all exposure will result in risk. 6 Nowadays, many…”
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