Experimental and computational investigation of two-component mixtures for the alkyl (ethyl, propyl and butyl) oleate in supercritical carbon dioxide

DURAISAMI DHAMODHAR-AN,박철웅,Pradnya N.P. Ghoderao,변헌수 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.110 No.-

The main aim of the current study is to understand of solubility curve in solvents at supercritical conditionsand including thermodynamics modeling, as well as van der Waals-type models. A thermodynamicapproach was commissioned to predict the solubility of a model alkyl oleate monomers in supercriticalcarbon dioxide (Sc-CO2). Furthermore, the experimental data of phase equilibrium were employed herewhich are based on measuring the solubility of alkyl oleate monomers in CO2 at supercritical conditions,and the experiments were performed using common synthetic-type method. The thermodynamic equilibriumproperties for the two-component mixture of ethyl oleate, propyl oleate and butyl oleate in Sc-CO2 were reported. Bubble (dew)-point data determinations were performed through the syntheticmethod from various temperatures T= (313.2 to 393.2) K and pressures p = (3.07 to 31.71) MPa. Theobtained results indicated that the phase equilibria of Sc-CO2 were found to increase monotonically withthe augmented of system temperatures and mole fraction of (ethyl oleate, propyl oleate and butyl oleate)in binary (solute + solvent) mixtures. The solubility curve of ethyl oleate, propyl oleate, and butyl oleatein the ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyl oleate + Sc-CO2 models rises as the temperatureraises at a persistent pressure. The ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyloleate + Sc-CO2 models show type-I phase behavior. Moreover, laboratory investigated results of thesesystems were adequately compared with the P-R EOS. RMSD for the ethyl oleate + Sc-CO2 [jij = 0.060,gij=-0.030], propyl oleate + Sc-CO2 [jij = 0.062, gij=-0.030], and butyl oleate + Sc-CO2 [jij = 0.061,gij=-0.030] models using 2 factors determined at 353.2 K were 4.06 %, 7.43 %, and 5.06 % correspondingly. Also, RMSD of ethyl oleate + Sc-CO2, propyl oleate + Sc-CO2, and butyl oleate + Sc-CO2 systems predicted byadjusted factors at each temperature was 8.46 %, 9.43 %, and 6.29 %, respectively.

Experimental and numerical study on smectic aligned zirconium phosphate decorated graphene oxide hybrids effects over waterborne epoxy multi-functional properties enhancement

DURAISAMI DHAMODHAR-AN,Veeman Dhinakaran,Radhika Nagavaram,Pradnya Prabhakar Ghoderao,Hun-Soo Byun,Lixin Wu 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.107 No.-

Waterborne epoxy (WEP) resins are of great significance as multifunctional properties recently. Nevertheless, their curing process, which involves the formation of numerous micro-pores via waterevaporation, has limited applications in the industrial utilizations. In this work, we have synthesizedand enhanced the water-dispersible Zirconium phosphate decorated graphene oxide (ZrP@GO) nanocompositesthrough a one-step preparation method of graphene oxide (GO) sheets decorated with ZrPnanoparticles, and the as-prepared ZrP@GO nanocomposites were introduced as nanofillers for WEP systemin order to enhance its multifunctional properties. The as-prepared GO, ZrP, and ZrP@GO hybridswere scrutinized by XRD, XPS, Raman, TGA, and its morphology study were investigated with the assistanceof AFM, TEM, and FESEM. The anticorrosive properties were analyzed using natural salt spray tests(NSS). The ZrP@GO mixed WEP coatings exhibit better protection towards corrosion when compared toWEP/GO and WEP/ZrP coatings. Also, the excellent mechanical and thermal properties were achievedwith the incorporation of ZrP@GO hybrids with the WEP system. The better performance of ZrP@GOwas achieved through enhanced dispersion, exfoliation, and the outstanding shielding effect of the smecticaligned layers of ZrP@GO hybrids. Besides, a finite element model proposed through this research topredict the tensile behaviors are good in agreement with the measured vales.

A review on graphene oxide effect in energy storage devices

DURAISAMI DHAMODHAR-AN,Pradnya Prabhakar Ghoderao,Veeman Dhinakaran,Suhail Mubarak,Nidhin Divakaran,Hun-Soo Byun 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.106 No.-

This article contributes a broad analysis of the latest improvement on energy storage operations usingsingle layer surface modified graphene oxide (GO). GO, a thin structure of graphite oxide, is a modifiedgraphene, holding several oxygen-casing functional groups. This provides GO with numerous distinctivefeatures for multipurpose applications in capacitors, fuel cells and batteries. Precise applications are distinguishedprimarily comprising use in electrodes as the dynamic substantial’s to augment the recital oras substrates to discriminate the configurations, in solid-state solution and membranes techniques toadvance the ionic attraction and other behaviors, and in internal structure layers to guard the currentcollectors, membranes or electrodes. Additionally, the problems, difficulties and looming overlooks areconferred in the article for promising promotes research development of GO applications.

Carbon nanodots: Synthesis, mechanisms for bio-electrical applications

DURAISAMI DHAMODHAR-AN,Hun-Soo Byun,M. Varsha Shree,Dhinakaran Veeman,L. Natrayan,B. Stalin 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.110 No.-

Due to the exceptional optical properties such as biocompatibility, and low toxicity, carbon nanodots(CNDs) have emerged as a potential material for biosensing, drug delivery, and bioimaging. As a result,CNDs preparation, properties, and applications have sparked much attention. Its advantages include greatbiocompatibility in vitro and in vivo, photobleaching resistance, ease of surface functionalization and bioconjugation,excellent colloidal stability, environmentally safe manufacturing, and low cost. This allowedCNDs to replace traditional fluorescent heavy metal-containing semiconductor quantum dots or organicdyes. CNDs have demonstrated a wide range of applications, despite the fact that the mechanism of theirphotoluminescence remains a mystery. In this review, we examine current advancements in the field ofCNDs and provide a complete overview of their synthesis techniques and emission processes along withtheir applications in biosensing, drug delivery, bioimaging, wound healing, and disease detectionbiosensors.

Nanoemulsion as an Effective Inhibitor of Biofilm-forming Bacterial Associated Drug Resistance: An Insight into COVID Based Nosocomial Infections

Deena Santhana Raj,DURAISAMI DHAMODHAR-AN,Thanigaivel Sundaram,Vickram A. S.,변헌수 한국생물공학회 2022 Biotechnology and Bioprocess Engineering Vol.27 No.4

Antibiotic overuse has resulted in the microevolution of drug-tolerant bacteria. Understandably it has become one of the most significant obstacles of the current century for scientists and researchers to overcome. Bacteria have a tendency to form biofilm as a survival mechanism. Biofilm producing microorganism become far more resistant to antimicrobial agents and their tolerance to drugs also increases. Prevention of biofilm development and curbing the virulency factors of these multi drug resistant or tolerant bacterial pathogens is a newly recognised tactic for overcoming the challenges associated with such bacterial infections and has become a niche to be addressed. In order to inhibit virulence and biofilm from planktonic bacteria such as, Pseudomonas aeruginosa, Acinetobacter baumannii, and others, stable nanoemulsions (NEs) of essential oils (EOs) and their bioactive compounds prove to be an interesting solution. These NEs demonstrated significantly greater anti-biofilm and anti-virulence activity than commercial antibiotics. The EO reduces disease-causing gene expression, which is required for pathogenicity, biofilm formation and attachment to the surfaces. Essential NE and NE-loaded hydrogel surface coatings demonstrates superior antibiofilm activity which can be employed in healthcare-related equipments like glass, plastic, and metal chairs, hospital beds, ventilators, catheters, and tools used in intensive care units. Thus, anti-virulence and antibiofilm forming strategies based on NEs-loaded hydrogel may be used as coatings to combat biofilm-mediated infection on solid surfaces.

Efficient photoelectrocatalytic conversion of CO2 to formic acid using Ag-TiO2 nanoparticles formed on the surface of nanoporous structured Ti foil

Suhail Mubarak,DURAISAMI DHAMODHAR-AN,Hun-Soo Byun,Deepak K. Pattanayak,S.B. Arya 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.113 No.-

Global warming and adverse climate change, which have been intensified by a strident increase in carbondioxide (CO2) emissions, have necessitated the development of alternative techniques to reduce the disproportionateconcentration of CO2 in the atmosphere. The photoelectrochemical reduction of CO2 is atechnique of lowering the energy required to convert greenhouse gases into useful end products. Herein, we have manufactured an innovative, cost-effective silver (Ag) decorated anatase TiO2 (TOAgx;‘x’ stands for different concentration of Ag) nanoparticles which created on the 3D nanoporousstructured surface of a thin titanium foil (Ti-foil) by the assist of chemical treatment with hydrogen peroxide(H2O2) and different concentrations (1, 5, 10, 20 mM) of silver nitrate (AgNO3) solution and followedby calcination at 500 C. As-prepared samples were analyzed by several characterizationtechniques such as XRD, XPS, TEM and Raman spectroscopy. Among various samples (TO, TO-Ag1, TOAg5,TO-Ag20), the TO-Ag10 sample were exposed a supreme photocurrent density of 83.2 lA/cm2(86.1% higher than TO sample which is untreated with AgNO3 solution). Because of its high photocurrentdensity, the sample TO-Ag10 were selected as the electrode material for photoelectrochemical CO2 reductionreaction and a lowest reduction onset potential (1.018 V) was observed on linear sweep voltammetryanalysis in the presence of light with Ag/AgCl reference electrode. 1H NMR analysis of the productsolution exposed the production of formic acid as a single product of CO2 reduction reaction after thechronoamperometric electrolysis were carried out more than 6 h. The maximum faradaic efficiency(73%) and formic acid yield (193 lmol cm2 h1) were found at an applied potential of 1.2 V(vs. Ag/AgCl reference electrode) for TO-Ag10 photocathode.

Computational discovery of novel human LMTK3 inhibitors by high throughput virtual screening using NCI database

Anbarasu Krishnan,DURAISAMI DHAMODHAR-AN,Thanigaivel Sundaram,Vickram Sundaram,변헌수 한국화학공학회 2022 Korean Journal of Chemical Engineering Vol.39 No.6

Breast cancer is the most common cause for women’s deaths worldwide. LMTK3 has been demonstrated ascritical biomarker for ER positive breast cancer. It regulates breast cancer by phosphorylating estrogen receptor. Associationof LMTK3 in breast cancer is connected with disease free and poor overall survival. In this current computationalstudy, virtual screening was accomplished on human LMTK3 using a large library of NCI database inSchrodinger. From the ligand library, the best compounds were selected and evaluated based on molecular dockingusing Glide module and their relative molecular dynamics using Desmond. Different parameters like binding energyand interactions like hydrogen bond and hydrophobic contacts have a significant impact on LMTK3 inhibition. Basedon docking score, the best lead molecules were separated and analyzed for ADME properties using QikProp tool. Overall, our results confirmed the compounds NCI26194 had been screened from the NCI database, which has thepotential to act as key drug molecule for ER positive breast cancer. In conclusion, our computer aided technique onhuman LMTK3 has high perspective for the development of novel anticancer agent for breast cancer treatment.

Impedance spectroscopic study of biodegradable PVA/PVP doped TBAI ionic liquid polymer electrolyte

S. Adarsh Rag,DURAISAMI DHAMODHAR-AN,M. Selvakumar,Somashekara Bhat,Shounak De,Hun-Soo Byun 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.111 No.-

This work aims to understand the ion conduction mechanism in polymer electrolyte membranes. Polyvinyl alcohol and polyvinyl pyrrolidone are chosen as polymer matrix and tetrabutylammoniumiodideas the ionic liquid among various synthetic polymers. Four samples named A-1, A-2, A-3, andA-4 have been synthesized by various concentrations and characterized the membranes through impedancespectroscopy analysis which uncovers the conductivity features of the electrolyte. Out of the foursamples, the one with 25 wt.% ionic liquid sample shows better performance than the rest of the samples. The prepared membrane was analysed and understood various parameters such as impedance analysis,dielectric constant, dielectric loss, and electric modulus. The activation energy was calculated for thesamples A-2, A-3, and A-4, as 0.27 eV, 0.96 eV and 2.97 eV, respectively. The Arrhenius models for carriertransport have been explained to interpret the conduction mechanism in polymer membranes. The presentwork has been focused on studying the effect of tetrabutylammonium-iodide ionic liquid on polyvinylalcohol and polyvinyl pyrrolidone polymer matrix as an electrolyte membrane and thepossibility of using this as an electrolyte membrane in devices such as fuel cells, supercapacitors, andbatteries.