Chemistry Commons^™

Cyclotide-Rich Fractions Containing Nanofibers By Electrospinning: Preparation, Characterization And Examination Of Antimicrobial Activity, Eli̇f Büşra Baş, Cemi̇l Kürekci̇, Orhan Murat Kalfa, Muharrem Akcan

Turkish Journal of Chemistry

In this study, antimicrobial nanofibers were produced with the mixtures of polyvinyl alcohol (PVA) and cyclotide-rich fractions by electrospinning method. After extraction, the first separation was carried out with C18 flash chromatography and then fractioned into five separate parts by reversed-phase high-pressure liquid chromatography (RP-HPLC). The molecular weights of cyclotides in each fraction were determined by quadrupole time-of-flight liquid chromatography-mass spectrometry (Q-TOF LC-MS). Cyclotide-rich fractions were mixed with 10% of PVA solution and nanofibers were produced from this biocomposite mixture by electrospinning method. The nanofibers were characterized by field emission scanning electron microscopy (FE-SEM), and it was observed that 100% …

Building Tools For Improved Modulation Of The Human Gabaa Receptor, A Central Nervous System Target For The Treatment Of Anxiety, Garrett Edward Zinck

Theses and Dissertations--Pharmacy

In the U.S., anxiety is recognized as an increasing range of mentally and physically debilitating psychiatric health disorders with significant economic repercussions. Over the last 20 years, several novel anti-anxiety therapies have entered the drug development pipeline, but none have made it to market.

The work in this dissertation focused on structurally modifying valerenic acid (VA), a structurally unique carboxylated sesquiterpene acid found in Valeriana officinalis. VA is putatively reported to have allosteric modulatory activity of the human GABA_A receptor, a ligand-gated ion channel responsible for attenuating neurotransmissions. Structural modeling of VA’s GABA_A receptor interaction suggests that …

Investigating The Physical Stability Of Amorphous Pharmaceutical Formulations, Travis W. Jarrells

Theses and Dissertations--Pharmacy

Amorphous formulations, including amorphous solid dispersions (ASDs), consisting of the active pharmaceutical ingredient (API) intimately mixed in a polymeric matrix, are an attractive formulation approach to improve drug delivery, dissolution, and solubility. However, an amorphous API in an ASD is in a higher energy state compared to the crystalline drug and results in most ASDs being inherently unstable. The polymer helps to stabilize the amorphous drug against crystallization such that the resulting homogenous mixture maintains its solubility advantage relative to the crystalline form. One challenge of ASDs is that the presence of impurities including crystals or residual solvent, variations in …

Development Of Accurate And Efficient Computational Methodologies For Predicting Protein-Ligand And Protein-Protein Binding Free Energies, Alexander Hamilton Williams

Theses and Dissertations--Pharmacy

Computational modeling is an invaluable tool in the drug discovery process either for small ligand or protein therapeutics. The widespread availability of protein X-Ray Crystal and Cryo-Electron Microscopy (Cryo-EM) structures has allowed for more accurate molecular dynamics (MD) simulations that are not reliant on methods such as homology modeling, which may produce structures that require significant computational time to demonstrate their stability. In this thesis we describe several novel methodologies for the computationally efficient modeling of protein/ligand and protein/protein complexes that may be employed within both large-scale virtual screenings and lead compound optimization. These methodologies may also be utilized in …

A Study Of The Analysis Of Hemp-Derived Oil Products: Development Of A Method For The Analysis Of Phytocannabinoids In Medicinal Products, Erin Johnson

Theses and Dissertations--Pharmacology and Nutritional Sciences

Human interactions with cannabis have a history spanning millennia as a source of fiber, food, and medicine. The plant came across Asia, Europe, and Africa with the movements of people and travelers eventually coming to the Americas with European explorers. In colonizing North America, cannabis fiber was key to the production of canvas and ropes for ships. Although fiber was the driver for cannabis production in the United States, medicinal uses were prevalent and propelled the eventual regulations. The Pure Food and Drug Act of 1906 mandated accurate labeling on drugs such as cannabis followed by the Marihuana Tax Act …

Synthesis And Characterization Of Antimony Cyanoximates For Microbiological Studies, Seth Adu Amankrah

Graduate Theses/Dissertations

Antibiotic-resistant pathogenic microorganisms (such as MRSA and alike) represent a real and significant threat to the health and wellbeing of the general population. The search for new compounds of non-antibiotic nature that act as antimicrobial agents is an important task with obvious practical applications in the biomedical field. Metal-based coordination and organometallic compounds that demonstrate antimicrobial activity was found to exhibit a completely different mode of action compared to antibiotics. That suggests the absence of the mechanism of developing tolerance to these types of compounds at least for 30 - 40 years. Thus, there are numerous organotin (IV), silver (I), …

The Synthesis And Characterization Of Pb(Ii) Cyanoximates, Patricia Mcdaniel

Graduate Theses/Dissertations

A new series of Pb(II) cyanoximates were synthesized and characterized by elemental analysis (C, H, N, S), IR spectroscopy, thermal analysis, and X-ray crystallography. The goal was to synthesize compounds with a PbL₂ (L= selected known chelating cyanoximes) composition for use as potential new non-linear optical (NLO) materials, specifically second harmonic generators (SHG), which must belong to non-centrosymmetric space groups. A desktop procedure using Pb²⁺ is chosen due to its typically active 6s² lone pair of electrons, which are known to distort central polyhedra. A 1:2 ratio of Pb(II) to ligand were used to synthesize bulk products …

Metabolomics Reveal Size-Dependent Impacts Of Cerium Oxide Nanoparticles On Grains Of Barley (Hordeum Vulgare L.), Naum Jepkemei Kirwa

Graduate Theses/Dissertations

Plants are exposed to emerging contaminants including nanoparticles, due to the novel but wide uses of these materials. However, researchers have shown contradicting effects of CeO₂-NPs on barley grains with focus mostly on concentration effects and not sizes of these CeO₂-NPs. Therefore, this study aimed at comparing the effects of 0nm (control), 8nm, and 40nm (250 mg CeO₂-NPs/kg soil) on the metabolite profile of barley grains. GC-FID and GC-QTOF-MS were used to measure fatty acid contents and metabolomic changes respectively. GC-FID analysis revealed that palmitic acid, oleic acid, linoleic acid, and the total fatty …

Development Of A New Spe Uplc–Ms/Ms Method For Extraction And Quantitation Of Toluene Diamine On Gloves Following Toluene Diisocyanate Exposure, Asma Daoud, Pierre-Luc Cloutier, Sébastien Gagné, Livain Breau, Jacques Lesage

Études primaires

Rationale

Toluene diisocyanate (TDI) is a highly reactive isocyanate commonly used as a mixture of 2,4- and 2,6- isomers in the production of flexible foams. Exposure to TDI occurs primarily through vapour inhalation in workplaces where TDI is produced or used, but dermal exposure is also possible during some tasks. To ensure workplace safety, accurate monitoring of TDI and toluene diamine (TDA) levels is required. Methods of quantifying field effectiveness of gloves in preventing dermal exposure have not been established. Therefore, there is a need to develop a new practical method for assessing glove effectiveness for TDI/TDA.

Method

A new …

Molecular Engineering Of Self-Immolative Polymers As Chemically Responsive Temporary Adhesives For Protective Garments, Hana J. Yarbrough

Dartmouth College Master’s Theses

The long-term goal of this thesis is to design novel chemical protective garments that both shield and sense for chemical warfare agents. The overarching hypothesis of this work is that joining textiles with a chemically responsive temporary adhesive will reduce the permeability of and detect hazardous analytes across fabric boundaries. Work towards achieving this goal and testing this hypothesis is separated into two chapters. The first chapter reports the development of a self-immolative polymer, poly(phthalaldehyde), into a stimuli-responsive temporary adhesive. Developing poly(phthalaldehyde) as a robust adhesive that rapidly releases substrates would be a significant and novel contribution to the fields …

Development Of A Chromatographic Method To Authenticate Aspirin Brands, Megan Guetzloff

Electronic Theses and Dissertations

Counterfeit pharmaceuticals pose a threat to society that can include inaccurate amounts of the active pharmaceutical ingredient (API), no API, or containing off-target compounds. For example, there are many recent examples of counterfeit pharmaceuticals containing potentially lethal doses (> 2 mg) of fentanyl (i.e., a synthetic opioid). Current measures to combat illicit pharmaceuticals (e.g., unique packaging and product serialization) have merit, however with evolved technologies, counterfeiters can relatively easily simulate these measures and continue to distribute illicit pharmaceuticals. The only accurate way to definitively determine that a suspected counterfeit is, in fact, counterfeit is advanced chemical analysis. However, current methods …

Formulation, Structure, And Applications Of Therapeutic, Amino Acid, And Water-Based Deep Eutectic Solvents, Md Sajjadur Rahman

Electronic Theses and Dissertations

In the design of greener chemicals, deep eutectic solvents (DESs) are considered as one of the most versatile alternative solvents with widespread applications. DESs have the advantages of being nonflammable with negligible vapor pressure compared to traditional solvents. They share many characteristics of ionic liquids, but DESs are cheaper to formulate, typically nontoxic, recyclable, biodegradable, and are suitable for use with biological systems. In my Ph.D. research, three types of emerging and unconventional types of DESs, namely therapeutic DES (THEDES), amino acid-based DES (AADES), and water-based DES (WDES), have been investigated. To formulate these DES easily available and cheaper chemicals, …

Using Powder Diffraction To Give Insight Into Structures Of Ir2(Diisocyanomenthane)4x2 [Dimen] (X = Cl; Pf6; Bph4), Mairead Brownell

Scripps Senior Theses

Ir2(dimen)42+ (dimen = 1,8-diisocyanomenthane) has been studied extensively as model compound to better understand catalysis of photochemical reactions. Although Ir2(dimen)42+ has been used primarily to observe the photophysical changes of metal-metal transitions, it gives great insight into the transitions that allow other d8-d8 metal complexes to undergo photochemical processes and generate hydrogen gas. The large visible range by which Ir2(dimen)42+ (1) can be electronically excited in solution is indicative of its two solution phase ground states, which interestingly have been hypothesized to resemble two unique packing structures observed in the powder state. In this study, the powder diffraction patterns of …

Reinforcement Of Elastomers By Reactive Ionic Surfactant, Nicole Vickerman

Williams Honors College, Honors Research Projects

Elastomers without cross-linking agents or fillers do not have the necessary properties for practical applications in the rubber industry. Elastomers must be reinforced with fillers and/or cross-linking agents to achieve the needs of physical and mechanical properties for commercial products. Sodium octyl 6-mercaptohexyl phosphate (SOMP) and sodium ethyl (6-mercaptohexyl) phosphate (SEMP) were used to investigate the influence of a reactive ionic surfactant and its influence on the physical properties of peroxide crosslinked styrene butadiene rubber (SBR). SEMP and SOMP were both found to be able to be grafted successfully on to the SBR chains within the rubber using extraction testing …

Understanding And Harnessing The Structural Features That Govern Hmg-Coa Reductase Activity, Edwin Ragwan

Bryn Mawr College Dissertations and Theses

The enzyme 3-hydroxy-3-methylglutaryl coenzyme-A reductase (HMGR), which catalyzes the reduction of HMG-CoA to mevalonate using two equivalents of the cofactor NAD(P)H, is part of the mevalonate pathway, found in all kingdoms of life. This pathway is at the heart of natural product biosynthesis constituting one of the obligate routes to producing the building blocks for isoprenoids, which represent the largest and most diverse class of natural products. Natural products and its derivatives continue to provide important compounds in the fields of drug development, biomedical engineering, and commercially-driven products. Therefore, HMGR, which performs the rate-limiting step of the mevalonate pathway garners …

First Long-Time Airborne Fungal Spores Study In Dublin, Ireland (1978–1980), Moisés Martínez-Bracero, Emma Markey, Jerry Hourihane Clancy, John Sodeau, David J. O'Connor

Articles

Ambient fungal spores within the atmosphere can contribute to a range of negative human, animal and plant health conditions and diseases. However, trends in fungal spore seasonality, species prevalence, and geographical origin have been significantly understudied in Ireland. Previously unpublished data from the late 1970s have recently been collected and analysed to establish historical fungal spore trends/characteristics for Dublin. Historical spore concentrations were largely dominated by Alternaria, Ascospores, Basidiospores, Botrytis, Cladosporium, Erysiphe and Rusts. The main fungal spore season for Dublin commenced in April with the fructification of Scopulariopsis and Ganoderma. However, the vast majority of other spore types did …

Airborne Fungal Spore Review, New Advances And Automatisation, Moisés Martínez-Bracero, Emma Markey, Jerry Hourihane Clancy, Eoin Mcgillicuddy, Gavin Sewell, David J. O'Connor

Articles

Fungal spores make up a significant portion of Primary Biological Aerosol Particles (PBAPs) with large quantities of such particles noted in the air. Fungal particles are of interest because of their potential to affect the health of both plants and humans. They are omnipresent in the atmosphere year-round, with concentrations varying due to meteorological parameters and location. Equally, differences between indoor and outdoor fungal spore concentrations and dispersal play an important role in occupational health. This review attempts to summarise the different spore sampling methods, identify the most important spore types in terms of negative effects on crops and the …

Production Of Nimn2o4 Hollow Spheres And Cofe2o4 Bowl-Like Structures By Using Block Copolymer Stabilized Polystyrene Spheres As A Hard Template, Gökhan Koçak, Vural Bütün

Turkish Journal of Chemistry

The aim of this study is to highlight the use of polystyrene (PS) latexes stabilized with block copolymers as a hard template in the production of metal oxide hollow spheres. PS latexes produced by dispersion polymerization by stabilizing with tertiary amine methacrylate-based diblock copolymer were used as a hard template in the preparation of nickel manganese oxide (NiMn2O4) hollow spheres and cobalt iron oxide (CoFe2O4) bowl-like structures. Thanks to the diblock copolymer stabilizer with tertiary amine functional groups on the PS surface, precursor salts of CoFe2O4 and NiMn2O4 were first homogeneously deposited on the surface of PS latexes with a …

Solar Light Degradation Of Organic Dye Pollutants And Preparation Of Bis(Indolyl)Methanes Using Core-Shell Fe3o4@Sio2@Cuo Nanocomposite, Kaveh Parvanak Boroujen, Zeinab Tohidiyan, Mina Mirzaei

Turkish Journal of Chemistry

In this research, a new ferromagnetic-recoverable core-shell Fe3O4@SiO2@CuO nanocomposite of a certain size (20-25 nm) has been synthesized based on Cu(II) complex coated on Fe3O4@SiO2@CuO nanoparticles by facile and fast solid state microwave irradiation method. The photocatalytic activity of the nanocomposite was investigated for degradation of methylene blue (MB) and methyl orange (MO) dye pollutants in aqueous media under solar light irradiation. The nanocomposite could destroy these dyes with high efficiency in short time. With comparison of degradation percentages can be concluded that the nanocomposite shows better photocatalytic activity for MB dye (97% in 180 s). Kinetic study revealed higher …

Investigation Of Hazelnut Shells Driven Hard Carbons As Anode For Sodium-Ion Batteriesproduced By Hydrothermal Carbonization Method, Eli̇f Canbaz, Meral Aydin, Rezan Demi̇r Çakan

Turkish Journal of Chemistry

To be used as Na-ion battery anodes, hard carbon electrodes are synthesized from biomass, explicitly hazelnut shell (HS): via hydrothermal carbonization (HTC) followed by further pyrolysis at different temperatures (500, 750, 1000 °C). Then, the resulting hazelnut shell-based hard carbons are investigated using various methods including Fourier-transform infrared spectroscopy, scanning electron microscope, X-ray diffraction, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. The effects of binders (PVdF, Na-alginate, CMC, and PAA) on electrochemical performance are determined. The obtained composite electrodes with different binders are tested in sodium half-cell configurations. A strong correlation is recognized between carbonization temperature and electrochemical performances and structural …

Comparison Of Volatile Chemical Components Of Cystoseira Crinita Duby By Hydrodistillation(Hd) And Solid-Phase Microextraction (Spme) Methods And Antimicrobialand Scolicidal Activities Of Essential Oil And Extracts, Tayyi̇be Beyza Yücel

Turkish Journal of Chemistry

This study aims to derive an essential oil from Cystoseira crinita Duby, analyze the chemical composition of the essential oil, discover the antimicrobial activities of the oil and the extracts, and investigate the scolicidal activities of the extracts. The volatile organic compounds of Cystoseira crinita Duby were determined by GC/MS-FID using both hydro-distillation (HD) and solid-phase microextraction (SPME) methods. As a result of the essential oil analysis, 97.14% of 17 compounds and 93.13% of 19 compounds were elucidated. The main compounds identified were hexanal (31.802%), n-hexadecanoic acid (12.654%), trans-β-ionone (9.118%), 2E-hexenal (15.955%), heptadecane (15.729%) and tetradecane (13.458%). In addition, hexane, …

New Bis-Isoxazole With Monoterpenic Skeleton: Regioselective Synthesis, Spectroscopicinvestigation, Electrochemical, And Density Functional Theory (Dft) Studies, Ali Oubella, Meryem Hrimla, Mouhi Eddine Hachim, Mourad Fawzi, Abdoullah Bimoussa, Lahoucine Bahsis, Aziz Boutouil, Aziz Auhmani, Abdelkhalek Riahi, My Youssef Ait Itto

Turkish Journal of Chemistry

A novel bis-isoxazole was synthesized from (R)-Carvone and p-methylbenzaldoxime, via two successive [3+2] cycloaddition reactions (32CA). The newly obtained bis-isoxazole has been fully characterized by HRMS and NMR spectroscopy. The HMBC experiment was performed to determine the stereo and the regioselectivity of the reaction. The electrochemical behavior of the studied compound, in oxidation and reduction processes, was examined using the cyclic voltammetry technique. In addition, the regioselectivity of the [3+2] cycloaddition reaction and the molecular structure of the title compound was performed by density functional theory (DFT). The HOMO and LUMO orbitals were investigated to determine the electronic properties of …

Determination Of Triacylglycerol And Fatty Acid Compositions Of Impatiens Seed Oils Using Reverse Phase High Performance Liquid Chromatography, Anh Van Nguyen, Anh Thi Ngoc Vu, Victor Ivanovic Deineka, Huy-Trung-Kien Nguyen

Turkish Journal of Chemistry

In the present work, triacylglycerol and fatty acid compositions of Impatiens balsamina L. and Impatiens walleriana Hook.f. seed oils were determined using reverse phase high performance liquid chromatography with both refractive index and spectrophotometric detections. The presence of conjugated octadecatetraenoic moieties was confirmed by UV and IR spectroscopy. Triacylglycerol (TAG) compositions were performed using an incremental approach and confirmed by the results of MS and electronic spectra. The quantitative analysis of TAG was achieved by careful calibration, introducing correction factors for the sensitivity of each compound. The results showed that both Impatiens seed oils contain the same 23 TAGs. The …

A New Electrochromic Copolymer Composed Of 4,7-Di(Thiophen-2-Yl)Benzo[C] [1,2,5] Thiadiazole And 3,4-Ethylenedioxythiophene, Kübra Çeli̇k, Ari̇f Kivrak, Buket Çarbaş

Turkish Journal of Chemistry

A new electrochromic copolymer based on 4,7-di(thiophen-2-yl)benzo[c] [1,2,5]thiadiazole and 3,4-ethylenedioxythiophene was successfully obtained via the electrochemical polymerization method in the medium of electrolyte solution, which consists of 0.1 M tetrabutylammonium hexafluorophosphate and dichloromethane. In order to compare the electrochemical and chemical properties of the copolymer, the benzothiodiazole derivative and 3,4-ethylenedioxythiophene (EDOT) monomers, which are parts of the copolymer, are electrochemically polymerized, separately in the same environment and concentration with the copolymer. Poly(4,7-di(thiophen- 2-yl)benzo[c][1,2,5]thiadiazole) (P(TBT)) and poly(3,4-ethylenedioxythiophene) (PEDOT) polymers were obtained. Before starting the electrochemical synthesis, the initial oxidation potentials of the monomers that form the copolymer were compared via the …

Influence Of Acid Activation On Hydrogen Adsorption Properties Of Analcime-Rich Tuff From Turkey, Meryem Akbelen, Nurgül Özbay

Turkish Journal of Chemistry

In this study, structural, thermal, and hydrogen (H₂) adsorption properties of natural analcime-rich zeolite tuff (A) from Trakya (Turkey) and that of acid-treated forms investigated. Analcime mineral was treated with 0.1, 0.5, 1, 2, and 3 M HCl solutions at 80 °C for 5 h. Differences in structural and thermal behaviors of the analcime samples before and after acid- treatment were examined by X-ray fluorescence spectroscopy (XRF), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy with detector x-ray energy dispersive (SEM-EDX), thermal analysis (TG-DTG-DTA) and nitrogen adsorption methods. Micropore volume, micropore area, and specific surface …

Parameter Effect Quantification For A Phase Change Material-Based Lithium-Ion Battery Thermal Management System, Uğur Morali

Turkish Journal of Chemistry

The influence of discharge rate, ambient temperature, and phase change material on the maximum temperature and the highest temperature difference was investigated. The maximum temperature of the battery was tested with and without phase change material under extreme discharge rates (4C and 5C) and ambient temperatures (310 K and 320 K). Results showed that a phase change material reduced the maximum temperature from 327.94 K to 306.45 K for a 14.6 Ah lithium-ion battery discharged at 5C-rate and 320 K. Quantitatively determined parameter effects revealed that the PCM parameter considerably had a remarkable influence on maximum temperature compared to discharge …

Insight Into Electrochemical Degradation Of Cartap (In Padan 95sp) By Boron-Doped Diamond Electrode: Kinetic And Effect Of Water Matrices, Hoang Nguyen

Turkish Journal of Chemistry

In this work, the kinetic electrochemical degradation of Cartap (CT) (in Padan 95 SP) at boron-doped diamond (BDD) electrode was investigated. This study indicated that the degradation of CT underwent both direct and indirect oxidations. Water matrices can either accelerate or inhibit the removal efficiency of CT: adding 15 mM Cl^- improved k_CT from 0.039 min^-1 to 0.054 min^-1 (increased by 38%), while k_CT decreased by 61.5% and 64% when increasing the concentration of HCO₃^- and humic acid (HA) to 15 mM and 15 mg L^-1, respectively. CT degradation was inhibited …

The Effect Of Fuel On The Physiochemical Properties Of Znfe2o4 Synthesized By Solution Combustion Method, Fahma Riyanti, Widia Purwaningrum, Nova Yuliasari, Sasmita Putri, Nabila Aprianti, Poedji Loekitowati Hariani

Turkish Journal of Chemistry

The synthesis of ZnFe₂O₄ nanoparticles was performed using the solution combustion method with three types of fuel, namely urea, glycine, and ethylenediamine tetra-acetic acid (EDTA) with precursors (Zn(NO₃)₂.6H₂O and Fe(NO₃)₃.9H₂O. The combustion process was conducted in an open space at 300 °C for ± 1 h, resulting in a brownish-black ZnFe₂O₄. Meanwhile, the fuel type used in the process affects the physicochemical properties of ZnFe₂O₄. XRD analysis showed that ZnFe₂O₄ synthesized using urea, glycine, …

Single-Side Polypyrrole Coated Conductive And Flexible Polyurethane Films, Meli̇s Bi̇lal, Esma Sezer, Belkis Ustamehmetoglu

Turkish Journal of Chemistry

In this study, single-side polypyrrole (PPy) coated conductive stretchable polyurethane (PU) / PPy composite films were synthesized by chemical oxidative method in the acetonitrile (ACN)/H₂O interface as a new alternative to two-side coated PU films which have already reported in the literature. One surface of the PU film was contacted with aqueous Py solution and the other surface with cerium ammonium nitrate (CAN) solution in ACN, so that only one surface of the film was coated with PPy and the resulting composite was named PU/PPy (PUP). This composite was characterized by four-point probe conductivity measurement, Fouriertransform infrared spectroscopy …

Improvement Of Hydrodynamics And Heat Transfer In Biomass Fluidized Bed Combustor With Immersed Tubes Using Cfd-Dem, Krittin Korkerd

Chulalongkorn University Theses and Dissertations (Chula ETD)

Computational Fluid Dynamics coupled with Discrete Element Method (CFD-DEM) has been extensively utilized for studying hydrodynamics and heat transfer in fluidization processes. This study specifically focuses on improving hydrodynamics and heat transfer in a biomass fluidized bed combustor with immersed tubes. The investigation involves the use of mixed biomass, exploring the effects of biomass types, biomass loading, and blending ratios to propose criteria for selecting suitable biomass fuel for the system. Design parameters related to the immersed tubes, such as the angle between tubes, tube diameters, and distance between tubes, were also considered. A data-driven model was developed based on …