Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems DOI Creative Commons
Nobanathi Wendy Maxakato,

Miracle N. Ogbogu,

Adebayo P. Adeleye

и другие.

RSC Advances, Год журнала: 2024, Номер 14(37), С. 27424 - 27437

Опубликована: Янв. 1, 2024

Despite its effectiveness in managing the motor symptoms of Parkinson's disease, levodopa therapy is often accompanied by adverse effects that can significantly reduce patients' quality life. Hence, need to detect has escalated among researchers and health experts. Herein, intricacies adsorption were studied using newly tailored fullerene-based adsorbents. All theoretical calculations performed DFT/PBE1PBE/GENECP level theory. Having modified surface Pt-encapsulation followed functionalization with a functional group (COOH, HCO, NH

Язык: Английский

Synthesis and characterization of metal–organic frameworks based on thorium for the effective removal of 2,4-dichlorophenylacetic pesticide from water: Batch adsorption and Box-Behnken Design optimization, and evaluation of reusability DOI
Amnah Mohammed Alsuhaibani,

AbdulAziz A. Alayyafi,

Lamia A. Albedair

и другие.

Journal of Molecular Liquids, Год журнала: 2024, Номер 398, С. 124252 - 124252

Опубликована: Фев. 16, 2024

Язык: Английский

Процитировано

104

Efficient adsorption of Cr (VI) onto hematite nanoparticles: ANN, ANFIS modelling, isotherm, kinetic, thermodynamic studies and mechanistic insights DOI Creative Commons

Rajesh Juturu,

V. Ramachandra Murty, Raja Selvaraj

и другие.

Chemosphere, Год журнала: 2023, Номер 349, С. 140731 - 140731

Опубликована: Ноя. 25, 2023

Hematite nanoparticles (AF-Fe

Процитировано

60

Efficient removal of hexavalent chromium from wastewater using a novel magnetic biochar composite adsorbent DOI Creative Commons

Rajesh Juturu,

Raja Selvaraj, V. Ramachandra Murty

и другие.

Journal of Water Process Engineering, Год журнала: 2024, Номер 66, С. 105908 - 105908

Опубликована: Авг. 7, 2024

Hexavalent chromium (Cr(VI)) in wastewater poses serious environmental and ecological risks. A novel Fe3O4-loaded magnetic biochar (MBC) using Acacia falcata leaf powder was synthesized via one-step hydrothermal carbonization for efficient Cr(VI) removal. FESEM images revealed porous, irregular structures, EDS analysis confirmed Fe, O, C, Cr presence, validating adsorption. XRD indicated a lattice parameter of 0.8407 nm, characteristic magnetite nanoparticles, with an average crystallite size 11.29 nm. MBC exhibited superparamagnetic behavior facilitating easy separation. The deconvolution XPS spectra distinct peaks at 575.6 585.7 eV, corresponding to Cr(III), 577.3 587.8 Cr(VI), thereby confirming the dual roles reduction Batch adsorption followed pseudo-second-order Hill models, highlighting physisorption mechanisms. At pH 2, 303 K, 0.4 g/L, achieved saturation capacity 36.15 mg/g. Thermodynamic endothermic, spontaneous Desorption studies reversible ion exchange. 0.1 M NaOH showed better regeneration ability compared 0.5 solution. Phosphate ions reduced other competing ions. significant potential remediation by effectively removing from various water sources, achieving results comparable distilled water. Sustainable synthesis A. offers promising solution removal, addressing critical challenges.

Язык: Английский

Процитировано

41

Efficient adsorptive removal of 2,4-dichlorophenoxyacetic acid (2,4-D) using biomass derived magnetic activated carbon nanocomposite in synthetic and simulated agricultural runoff water DOI Creative Commons
Adithya Samanth, Raja Selvaraj,

Gokulakrishnan Murugesan

и другие.

Chemosphere, Год журнала: 2024, Номер 361, С. 142513 - 142513

Опубликована: Июнь 1, 2024

This study focused on evaluating the efficacy of a magnetic activated carbon material (CPAC@Fe

Язык: Английский

Процитировано

27

Machine learning, conventional and statistical physics modeling of 2,4-Dichlorophenoxyacetic acid (2,4-D) herbicide removal using biochar prepared from Vateria indica fruit biomass DOI Creative Commons
Ramesh Vinayagam,

Vasundra Nagendran,

Louella Concepta Goveas

и другие.

Chemosphere, Год журнала: 2024, Номер 350, С. 141130 - 141130

Опубликована: Янв. 5, 2024

The adsorption properties of 2,4-Dichlorophenoxyacetic acid (2,4-D) onto biochar, obtained through HCl-assisted hydrothermal carbonization process Vateria indica fruits (VI-BC), were extensively studied using traditional and statistical physics approaches. investigations encompassed kinetics, equilibrium, thermodynamics studies. Subsequently, the Hill model was employed to interpret mechanism. Also, artificial neural network (ANN) adaptive neuro-fuzzy inference system (ANFIS) machine learning tools successfully data wherein both models had high prediction potential (R

Язык: Английский

Процитировано

17

Enhanced adsorption of phenolic compounds using biomass-derived high surface area activated carbon: Isotherms, kinetics and thermodynamics DOI Creative Commons
Praveengouda Patil, Gautham Jeppu,

S. V. Manjunath

и другие.

Environmental Science and Pollution Research, Год журнала: 2024, Номер unknown

Опубликована: Апрель 5, 2024

Abstract The progress of industrial and agricultural pursuits, along with the release inadequately treated effluents especially phenolic pollutant, has amplified pollution load on environment. These organic compounds pose considerable challenges in both drinking water wastewater systems, given their toxicity, demanding high oxygen limited biodegradability. Thus, developing an eco-friendly, low-cost highly efficient adsorbent to treat pollutants become important task. present investigation highlights development a novel (CFPAC) by activation Cassia fistula pod shell for purpose removing phenol 2,4-dichlorophnenol (2,4-DCP). significant operational factors (dosage, pH, concentration, temperature, speed) were also investigated. such as pH = 2 T 20°C found be at 1.6 g/L 0.6 dosage 2,4-DCP respectively. Batch experiments further conducted study isotherms, kinetic thermodynamics studies removal 2,4-DCP. activated carbon was characterised mesoporous (specific surface area 1146 m /g, pore volume 0.8628 cc/g), amorphous PZC 6.4. At optimum conditions, maximum sorption capacity 183.79 mg/g 374.4 adsorption isotherm better conformed Redlich Peterson (phenol) Langmuir obeyed pseudo-second-order type behaviour R > 0.999. thermodynamic value isosteric heat suggested that reaction dominated physical (Δ H x < 80 kJ/mol). Further, whole process feasible, exothermic spontaneous nature. overall synthesised from pods can promising compounds. Graphical

Язык: Английский

Процитировано

16

Modeling 2,4-dichlorophenoxyacetic acid adsorption on candle bush pod-derived activated carbon: Insights from advanced statistical physics models DOI Creative Commons
Raja Selvaraj,

Rohin Venkataraman Iyer,

Gokulakrishnan Murugesan

и другие.

Journal of Water Process Engineering, Год журнала: 2024, Номер 66, С. 106027 - 106027

Опубликована: Авг. 24, 2024

The widespread usage of 2,4-Dichlorophenoxyacetic acid (2,4-D) as an herbicide has led to alarming levels environmental pollution, presenting severe risks ecosystems and human health. This study aimed synthesize a new adsorbent, activated carbon from candle bush pods (CBAC) via low-temperature phosphoric activation investigate its ability for adsorptive elimination 2,4-D. setup adsorption system requires the experimental determination isotherms their thorough modeling, which is achieved through advanced statistical physics models (ASPMs). characterization CBAC revealed porous morphology with remarkable specific surface area (415.31 m2/g). XRD graphitic structures, while XPS detected phosphate groups, oxygen-containing functional groups. Double layer single energy (DLSE) model – one ASPMs both non-parallel parallel orientation 2,4-D molecules on CBAC, saturation capacity values increasing temperature (up 252.35 mg/g) at pH 2. was physisorption (ΔE = 12.62–16.26 kJ/mol) spontaneous endothermic. Hence, findings herein demonstrate potential sustainable effective adsorbent mitigating pollution caused by

Язык: Английский

Процитировано

12

Kraft Lignin-Derived Microporous Nitrogen-Doped Carbon Adsorbent for Air and Water Purification DOI Creative Commons
Oleg Tkachenko, Alina Nikolaichuk, Nataliia Fihurka

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(3), С. 3427 - 3441

Опубликована: Янв. 9, 2024

The study presents a streamlined one-step process for producing highly porous, metal-free, N-doped activated carbon (N-AC) CO

Язык: Английский

Процитировано

11

Investigating mathematical models for the surface adsorption process of tetracycline antibiotic using a CuFe12O19/CuS green magnetic nanocomposite DOI

Hajar Barkhor,

Mohammad Ali Nasseri, Negin Nasseh

и другие.

Biomass Conversion and Biorefinery, Год журнала: 2024, Номер unknown

Опубликована: Июнь 7, 2024

Язык: Английский

Процитировано

10

Removal of an agricultural herbicide (2,4-Dichlorophenoxyacetic acid) using magnetic nanocomposite: A combined experimental and modeling studies DOI

H Sridevi,

Ramananda Bhat M,

Raja Selvaraj

и другие.

Environmental Research, Год журнала: 2023, Номер 238, С. 117124 - 117124

Опубликована: Сен. 15, 2023

Язык: Английский

Процитировано

23