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Outputs (12)

Development of a novel dual-enzyme screen-printed amperometric biosensor for the analysis of esterified fatty acids (2023)
Journal Article

This paper describes, for the first time, the development of a novel trilinolein biosensor based on the immobilisation of lipase and lipoxygenase (LOX) onto a cobalt phthalocyanine screen-printed carbon electrode (CoPC-SPCE) in conjunction with amper... Read More about Development of a novel dual-enzyme screen-printed amperometric biosensor for the analysis of esterified fatty acids.

Eliminating transition state calculations for faster and more accurate reactivity prediction in Sulfa-Michael additions relevant to human health and the environment (2022)
Journal Article

Fast and accurate computational approaches to predicting reactivity in sulfa-Michael additions are required for high-throughput screening in toxicology (e.g., predicting excess aquatic toxicity and skin sensitization), chemical synthesis, covalent dr... Read More about Eliminating transition state calculations for faster and more accurate reactivity prediction in Sulfa-Michael additions relevant to human health and the environment.

Reactivity prediction in aza-Michael additions without transition state calculations: The Ames test for mutagenicity (2020)
Journal Article

Animal testing remains a contentious ethical issue in predictive toxicology. Thus, a fast, versatile, low-cost quantum chemical model is presented for predicting the risk of Ames mutagenicity in a series of 1,4 Michael acceptor type compounds. This f... Read More about Reactivity prediction in aza-Michael additions without transition state calculations: The Ames test for mutagenicity.

Comparisons of different force fields in conformational analysis and searching of organic molecules: A review (2020)
Journal Article

This review aims to examine literature where different force fields are compared by their performances in conformational analysis and searching of organic molecules. Conformational analysis studies are those where energies and/or geometries of confor... Read More about Comparisons of different force fields in conformational analysis and searching of organic molecules: A review.

Surface water characteristics and trace metals level of the Bonny/New Calabar River Estuary, Niger Delta, Nigeria (2015)
Journal Article

Surface water samples from three stations in the Bonny/New Calabar River Estuary were analyzed for the physicochemical characteristics and trace metal level in 2011 and 2012, respectively. Results show pH ranged from 7.56 to 7.88mg/L; conductivity, 3... Read More about Surface water characteristics and trace metals level of the Bonny/New Calabar River Estuary, Niger Delta, Nigeria.