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1.
Front Chem ; 11: 1125625, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36742031

RESUMO

Graphyne and its family members (GFMs) are allotropes of carbon (a class of 2D materials) having unique properties in form of structures, pores and atom hybridizations. Owing to their unique properties, GFMs have been widely utilized in various practical and theoretical applications. In the past decade, GFMs have received considerable attention in the area of water purification and desalination, especially in theoretical and computational aspects. More recently, GFMs have shown greater prospects in achieving optimal separation performance than the experimentally derived commercial polyamide membranes. In this review, recent theoretical and computational advances made in the GFMs research as it relates to water purification and desalination are summarized. Brief details on the properties of GFMs and the commonly used computational methods were described. More specifically, we systematically reviewed the various computational approaches employed with emphasis on the predicted permeability and selectivity of the GFM membranes. Finally, the current challenges limiting their large-scale practical applications coupled with the possible research directions for overcoming the challenges are proposed.

2.
Heliyon ; 7(8): e07716, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-34409181

RESUMO

Investigation of lead (Pb), cadmium (Cd), zinc (Zn) and chromium (Cr) in soils and vegetables; and the consequent health risks connected with ingestion of the vegetables was conducted at Agbabu farm (F) settlement close to bitumen mining area of Ondo State, Nigeria. Soil and eleven vegetables were sampled from ten farms (Fs) and analyzed for Pb, Cd, Zn and Cr concentrations. Health risk parameters such as daily intake of metal (DIM), health risk index (HRI), target health quotient (THQ), and total diet target health quotient (TTHQ) were evaluated. Except Cd, other metals in soils were below their respective maximum allowable concentrations (MACs) set for agro soils. Only Cd and Pb were higher in vegetables than their respective MACs. Bioconcentration factors (BCFs) of the metals were higher in Talinum triangulare but lower for Cd, Zn, Cr and Pb in Solanum macrocarpon, Vernonia amygdalina, Ocimum gratissimum, and Taraxacum officinale respectively. DIMs of Cd, Zn and Pb for adults and children were higher than 0.0035, 0.001 and 0.300 mg/kg/day respective values of oral reference doses (RfD). The DIMs of Cr ingestion by children were above the RfD of Cr for all vegetables, while DIMs of ingesting Cr by adults were above Cr RfD for some vegetables. The (HRI >1) for Pb, Cd and Zn; (THQ >1) for Pb, Cd; and (TTHQ >1) indicated health risks in connection with the ingestion of these vegetables. These health risks were higher for children.

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