title: Synthesis, crystal structure, computational analysis and biological properties of 1-(4-chlorobenzoyl)-3-[2-(2-{2-[3-(4-chlorobenzoyl)-thioureido]-ethoxy}ethoxy)ethyl]-thiourea and its Ni(II) and Cu(II) complexes

authors: Oyeka, Ebube Evaristus

subjects: thiourea

abstract: A new dianionic ligand, 1-(4-chlorobenzoyl)-3-[2-(2-{2-[3-(4-chlorobenzoyl)-thioureido]-ethoxy}ethoxy)ethyl]-thiourea(CBEDEA), and its Ni(II) and Cu(II) complexes have been synthesized. X-ray single crystal analysis of CBEDEA shows that the molecule crystallized in the triclinic crystal system, space group P-1, with two molecules per unit cell. The studied compounds were further characterized by FT-IR, UV-VIS,¹H NMR and mass spectroscopy. The metal complexes were isolated as four coordinated ML(M: Ni(II), Cu(II), L:CBEDEA) molecules. Computational studies on CBEDEA gave electrostatic potential energy isovalues which showed that there is a higher probability of metal coordination around the carbonyl and thione groups. Results of non-covalent interaction studies revealed the presence of significant amount of hydrogen bonding and other weak non-covalent interactions in the molecule. Docking calculations on CBEDEA and its Ni(II) and Cu(II) metal complexes revealed that they have affinity for beta-lactamase, a protein implicated in antibiotic drug-resistant mechanism. Complexation with the metal ion shrank the size of the molecule and enabled the metal complexes to fit more appropriately within the binding groove of the protein resulting in the improved affinity over CBEDEA ligand. Target-ligand binding interactions resulted from hydrophobicity and possibility of hydrogen bonding of the molecules. In vitro screening of the compounds against 17 bacteria and 4 yeasts confirmed their antimicrobial potency against more susceptible Gram-positive bacteria. Results of this study suggest that the metal complexes could be developed into novel antimicrobial compounds.

text: Synthesis, crystal structure, computational analysis and biological properties of 1-(4-chlorobenzoyl)-3-[2-(2-{2-[3-(4-chlorobenzoyl)-thioureido]-ethoxy}ethoxy)ethyl]-thiourea and its Ni(II) and Cu(II) complexes A new dianionic ligand, 1-(4-chlorobenzoyl)-3-[2-(2-{2-[3-(4-chlorobenzoyl)-thioureido]-ethoxy}ethoxy)ethyl]-thiourea(CBEDEA), and its Ni(II) and Cu(II) complexes have been synthesized. X-ray single crystal analysis of CBEDEA shows that the molecule crystallized in the triclinic crystal system, space group P-1, with two molecules per unit cell. The studied compounds were further characterized by FT-IR, UV-VIS,¹H NMR and mass spectroscopy. The metal complexes were isolated as four coordinated ML(M: Ni(II), Cu(II), L:CBEDEA) molecules. Computational studies on CBEDEA gave electrostatic potential energy isovalues which showed that there is a higher probability of metal coordination around the carbonyl and thione groups. Results of non-covalent interaction studies revealed the presence of significant amount of hydrogen bonding and other weak non-covalent interactions in the molecule. Docking calculations on CBEDEA and its Ni(II) and Cu(II) metal complexes revealed that they have affinity for beta-lactamase, a protein implicated in antibiotic drug-resistant mechanism. Complexation with the metal ion shrank the size of the molecule and enabled the metal complexes to fit more appropriately within the binding groove of the protein resulting in the improved affinity over CBEDEA ligand. Target-ligand binding interactions resulted from hydrophobicity and possibility of hydrogen bonding of the molecules. In vitro screening of the compounds against 17 bacteria and 4 yeasts confirmed their antimicrobial potency against more susceptible Gram-positive bacteria. Results of this study suggest that the metal complexes could be developed into novel antimicrobial compounds.

year: 2018

title: Delivering the 20 minute city in Hamilton, NZ

authors: White, Iain

abstract: University of Waikato Professor Iain White led much of the think behind the $500m "20 Minute city" concept that headlines the proposal. 
The aim of it was to create a city where most facilities and activities, including employment, were available within 20 minute walking distance of one's home.

text: Delivering the 20 minute city in Hamilton, NZ University of Waikato Professor Iain White led much of the think behind the $500m "20 Minute city" concept that headlines the proposal. 
The aim of it was to create a city where most facilities and activities, including employment, were available within 20 minute walking distance of one's home.

year: 2021

title: COVID-19 and blind spaces: Responding to digital (in)accessibility and social isolation during lockdown for blind, deafblind, low vision, and vision impaired persons in Aotearoa New Zealand

authors: Graham, Rebekah Sarah

abstract: In this chapter we, as Indigenous (Māori) and non-Indigenous (Pākehā) academics, practitioners, and disability advocates critically examine the experiences of people who are blind, deafblind, low vision and vision impaired (BLV) during the COVID-19 lockdown of Aotearoa New Zealand. We pay particular attention to the ways in which access (or lack thereof) to digital spaces facilitated experiences of social inclusion (and exclusion). Digital connectivity was heavily relied upon during lockdown in Aotearoa New Zealand to disseminate health information and to connect people socially. The use of digital technologies during lockdown extended the interpersonal space of the home beyond the physicality of the urban home people were confined to, drawing people together across the country and creating a sense of shared experience. However, these experiences were not shared equally across the citizenry. Conversations during lockdown with disability advocates and practitioners working with BLV persons identified that. For example, the government website on COVID19 was initially inaccessible for BLV persons and there were assumptions of digital accessibility and literacy within the domestic space of the home. Taken together, these exacerbated existing inequities for BLV persons, some of whom experience multiple domains of exclusion (for example, Indigenous BLV persons with reduced access to services and for whom English is their second language). Drawing on Lefebvre’s (1991) work on the dialectics of space and Lewin’s (1936/2013) construction of the life-space, we consider the interplay of space and experience with regards to the digital and physical space(s) available and inhabited during the shared social experience of lockdown. We discuss possibilities for co-creating socially inclusive (digital) spaces of belonging that reflect and refract life-space relational connections across social groups. Our reflections on the lockdown experience include opportunities post-pandemic for policy makers and practitioners to address digital accessibility inequities.

text: COVID-19 and blind spaces: Responding to digital (in)accessibility and social isolation during lockdown for blind, deafblind, low vision, and vision impaired persons in Aotearoa New Zealand In this chapter we, as Indigenous (Māori) and non-Indigenous (Pākehā) academics, practitioners, and disability advocates critically examine the experiences of people who are blind, deafblind, low vision and vision impaired (BLV) during the COVID-19 lockdown of Aotearoa New Zealand. We pay particular attention to the ways in which access (or lack thereof) to digital spaces facilitated experiences of social inclusion (and exclusion). Digital connectivity was heavily relied upon during lockdown in Aotearoa New Zealand to disseminate health information and to connect people socially. The use of digital technologies during lockdown extended the interpersonal space of the home beyond the physicality of the urban home people were confined to, drawing people together across the country and creating a sense of shared experience. However, these experiences were not shared equally across the citizenry. Conversations during lockdown with disability advocates and practitioners working with BLV persons identified that. For example, the government website on COVID19 was initially inaccessible for BLV persons and there were assumptions of digital accessibility and literacy within the domestic space of the home. Taken together, these exacerbated existing inequities for BLV persons, some of whom experience multiple domains of exclusion (for example, Indigenous BLV persons with reduced access to services and for whom English is their second language). Drawing on Lefebvre’s (1991) work on the dialectics of space and Lewin’s (1936/2013) construction of the life-space, we consider the interplay of space and experience with regards to the digital and physical space(s) available and inhabited during the shared social experience of lockdown. We discuss possibilities for co-creating socially inclusive (digital) spaces of belonging that reflect and refract life-space relational connections across social groups. Our reflections on the lockdown experience include opportunities post-pandemic for policy makers and practitioners to address digital accessibility inequities.

year: 2021