Synthesis, In silico mapping for anti-cancer proviso, hardness studies of d-gluconic acid monohydrate crystals for usage in electronic, mechanical and biological sectors.

Abstract

d-Gluconic acid monohydrate - DGAMH crystals are grown in a period of 61 days by using the customary slow evaporation method with a, b and c as 8.4309, 5.409 and 10.4071 in Å units; β as 96.87°; monoclinic system, space group as P21. The material is an anticancer stipulation to inhibit them with the docked score of the DGAMH as -6.0 and -7.1 for both cases. Considering the mechanic behaviour of the DGAMH; the n as 7.57 of the DGAMH - work hardening coefficient value as Reverse ISE (indentation size effect) response for DGAMH. The computational structural info of DGAMH provides the supercell proviso, VanderWaal's impact with the nano-tubular proviso of DGAMH for cell impacting, weak type of interactions and devices with nano-tube impact. The electronic fluxing is in microns for macro-DGAMH; micro-DGAMH; thin-film DGAMH and nano-DGAMH for filtering property confirmations. The frequency by IC741 is twice over the input values with DGAMH crystal.

• Authors: Padmanaban B, Maria P Nikolova, Shashank Kumar, SenthilKannan K
• Journal: Heliyon (Heliyon) Vol. 9 Issue 10 Pg. e20941 (Oct 2023) ISSN: 2405-8440 [Print] England
• PMID: 37916081 (Publication Type: Journal Article)
• Copyright: © 2023 The Authors.