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

Padmanaban B; Maria P Nikolova; Shashank Kumar; SenthilKannan K

doi:10.1016/j.heliyon.2023.e20941

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

Heliyon. 2023 Oct 16;9(10):e20941. doi: 10.1016/j.heliyon.2023.e20941. eCollection 2023 Oct.

Authors

Padmanaban B¹, Maria P Nikolova², Shashank Kumar³, SenthilKannan K⁴

Affiliations

¹ Department of Electronics and Communication Engineering, AAA College of Engineering and Technology, Amathur, 626005, Sivakasi, Virudhunagar District, Tamilnadu, India.
² Department of Material Science and Technology, University of Ruse "A. Kanchev", 8 Studentska Str., 7000, Ruse, Bulgaria.
³ Molecular Signaling & Drug Discovery Laboratory, Department of Biochemistry, Central University of Punjab, Bathinda, Punjab, 151 401, India.
⁴ Department of Physics, Saveetha School of Engineering, SIMATS, Thandalam, Chennai, 602105, TN, India.

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.

Keywords: Anti-cancer; Computational; DGAMH; Electronic; Mechanical.