Skip to main content
SpringerLink
Log in

Sugeno fuzzy inference system modeling and DFT calculations for the treatment of pesticide-laden water by newly developed arginine functionalized magnetic Mn-based metal organic framework

  • Research Article
  • Published:
Environmental Science and Pollution Research Aims and scope Submit manuscript

Abstract

The uncontrolled utilization of pesticides poses a significant risk to the environment and human health, making its management essential. In this regard, a new arginine functionalized magnetic Mn-based metal–organic framework (Arg@m-Mn-MOF) was fabricated and assessed for the removal of cypermethrin (CYP) and chlorpyrifos (CHL) from aqueous system. The Arg@m-Mn-MOF was characterized by scanning electron microscopy, energy dispersive X-ray, Fourier transform infrared spectroscopy, X-ray diffraction, and Brunauer–Emmett–Teller analysis. Various parameters were optimized in a series of batch experiments and the following conditions were found optimal: pH: 4 and 5, contact time: 20 min, adsorbent dosage: 0.6 and 0.8 g L−1 with initial concentration: 10 mg L−1 and temperature: 298 K for CYP and CHL, respectively. The composite attained a maximum removal capacity of 44.84 and 71.42 mg g−1 for CYP and CHL, respectively. The elucidated data was strongly fitted to the pseudo-second-order model of kinetics (R2 > 0.98) and Langmuir isotherm (R2 > 0.98). Based upon 350 experimental datasets obtained from batch studies and interpolated data, the adsorption capacity of the adsorbent was elucidated with R2 > 0.97 (CHL) and > 0.91 (CYP). The adsorption energy (− 11.67 kcal mol−1) calculated by Gaussian software suggests a good interaction between arginine and CHL through H-bonding. The present study’s findings suggested the prepared Arg@m-Mn-MOF as a promising adsorbent for the efficient removal of pesticides from agriculture runoff.

Graphical Abstract

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9
Fig. 10
Fig. 11
Fig. 12
Fig. 13

Similar content being viewed by others

Data availability

The datasets used and/or analyzed during the current study are available from the corresponding author on reasonable request.

References

  • Adeyi AA, Jamil SNAM, Abdullah LC, Choong TSY, Lau KL, Abdullah M (2019) Simultaneous adsorption of cationic dyes from binary solutions by thiourea-modified poly (acrylonitrile-co-acrylic acid): detailed isotherm and kinetic studies. Materials 12(18):2903

    CAS  Google Scholar 

  • Ahmad R, Iqbal N, Noor T (2019) Development of ZIF-derived nanoporous carbon and cobalt sulfide-based electrode material for supercapacitor. Materials 12(18):2940

    CAS  Google Scholar 

  • Akpotu SO, Oseghe EO, Ayanda OS, Skelton AA, Msagati TA, Ofomaja AE (2019) Photocatalysis and biodegradation of pharmaceuticals in wastewater: effect of abiotic and biotic factors. Clean Technol Environ Policy 21:1701–1721

    CAS  Google Scholar 

  • Ali S, Lone B (2023) Adsorption of cytosine on Si and Ge doped graphene: a DFT study. Mater Today Proc 80:774–781

    CAS  Google Scholar 

  • Al-Smadi BM, Al Oran EH, Abu Hajar HA (2019) Adsorption-desorption of cypermethrin and chlorfenapyr on Jordanian soils. Arab J Geosci 12:1–8

    CAS  Google Scholar 

  • Ayawei N, Ebelegi AN, Wankasi D (2017) Modelling and interpretation of adsorption isotherms. J Chem. pp 1–11

  • Azar YT, Lakmehsari MS, Manzoorolajdad SMK, Sokhanvaran V, Ahadi Z, Shahsavani A, Hopke PK (2020) A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn). Mater Chem Phys 239:122105

    CAS  Google Scholar 

  • Banerjee S, Chattopadhyaya MC (2017) Adsorption characteristics for the removal of a toxic dye, tartrazine from aqueous solutions by a low cost agricultural by-product. Arab J Chem 10:S1629–S1638

    CAS  Google Scholar 

  • Bi C, Zheng B, Yuan Y, Ning H, Gou W, Guo J, Chen L, Hou W, Li Y (2021) Phosphate group functionalized magnetic metal–organic framework nanocomposite for highly efficient removal of U (VI) from aqueous solution. Sci Rep 11(1):24328

    CAS  Google Scholar 

  • Bisaria K, Sinha S, Singh R, Iqbal HM (2021) Recent advances in structural modifications of photo-catalysts for organic pollutants degradation–a comprehensive review. Chemosphere 284:131263

  • Bisaria K, Sinha S, Iqbal HM, Singh R (2022b) Ultrasonication expedited As (III) adsorption onto chitosan impregnated Ni–Fe layered double hydroxide biosorbent: optimization studies and artificial intelligence modelling. Environ Res 212:113184

    CAS  Google Scholar 

  • Bisaria K, Singh R, Gupta M, Mathur A, Dixit A (2022a) Novel acoustic-activated alkali-functionalized Trapa bispinosa peel biochar for green immobilization of chlorpyrifos from wastewater: artificial intelligence modelling and experimental validation. Biomass Convers. Biorefin. pp.1–20

  • Celso Goncalves A, Zimmermann J, Schwantes D, Tarley CRT, Conradi Junior E, Dias H, de Oliveira V, Campagnolo MA, Ziemer GL (2022) Renewable eco-friendly activated biochar from tobacco: kinetic, equilibrium and thermodynamics studies for chlorpyrifos removal. Sep Sci Technol 57(2):159–179

    CAS  Google Scholar 

  • Dolatabadi M, Mehrabpour M, Esfandyari M, Alidadi H, Davoudi M (2018) Modeling of simultaneous adsorption of dye and metal ion by sawdust from aqueous solution using of ANN and ANFIS. Chemometr Intell Lab Syst 181:72–78

    CAS  Google Scholar 

  • Du C, Zhou M, Jia F, Ruan L, Lu H, Zhang J, Zhu B, Liu X, Chen J, Chai Z, Hu Y (2021) D-arginine-loaded metal-organic frameworks nanoparticles sensitize osteosarcoma to radiotherapy. Biomaterials 269:120642

    CAS  Google Scholar 

  • Dryaz AR, Shaban M, AlMohamadi H, Al-Ola KAA, Hamd A, Soliman NK, Ahmed SA (2021) Design, characterization, and adsorption properties of Padina gymnospora/zeolite nanocomposite for Congo red dye removal from wastewater. Sci Rep 11(1):1–15

    Google Scholar 

  • Eltaweil AS, Abd El-Monaem EM, El-Subruiti GM, Abd El-Latif MM, Omer AM (2020) Fabrication of UiO-66/MIL-101 (Fe) binary MOF/carboxylated-GO composite for adsorptive removal of methylene blue dye from aqueous solutions. RSC Adv 10(32):19008–19019

    CAS  Google Scholar 

  • Fang Y, Wen J, Zeng G, Jia F, Zhang S, Peng Z, Zhang H (2018) Effect of mineralizing agents on the adsorption performance of metal–organic framework MIL-100 (Fe) towards chromium (VI). J Chem Eng 337:532–540

    CAS  Google Scholar 

  • Gautam S, Sood NK, Gupta K, Joshi C, Gill KK, Kaur R, Chauhan I, (2020) Bioaccumulation of pesticide contaminants in tissue matrices of dogs suffering from malignant canine mammary tumors in Punjab, India. Heliyon 6(10)

  • Guo X, Du B, Wei Q, Yang J, Hu L, Yan L, Xu W (2014) Synthesis of amino functionalized magnetic graphenes composite material and its application to remove Cr (VI), Pb (II), Hg (II), Cd (II) and Ni (II) from contaminated water. J Hazard Mater 278:211–220

    CAS  Google Scholar 

  • Hamadeen HM, Elkhatib EA (2022) New nanostructured activated biochar for effective removal of antibiotic ciprofloxacin from wastewater: adsorption dynamics and mechanisms. Environ Res 210:112929

    CAS  Google Scholar 

  • Hasanzadeh M, Simchi A, Far HS (2019) Kinetics and adsorptive study of organic dye removal using water-stable nanoscale metal organic frameworks. Mater Chem Phys 233:267–275

    CAS  Google Scholar 

  • Jacob MM, Ponnuchamy M, Kapoor A, Sivaraman P (2020) Bagasse based biochar for the adsorptive removal of chlorpyrifos from contaminated water. J Environ Chem Eng 8(4):103904

    CAS  Google Scholar 

  • Jeong Y, Cui M, Choi J, Lee Y, Kim J, Son Y, Khim J (2020) Development of modified mesoporous carbon (CMK-3) for improved adsorption of bisphenol-A. Chemosphere 238:124559

    CAS  Google Scholar 

  • Kansal I, Kapoor A, Solanki S, Singh R (2023) Cypermethrin toxicity in the environment: analytical insight into detection methods and microbial degradation pathways. J Appl Microbiol 134(6):lxad105

    Google Scholar 

  • Kumar N, Sinha S, Mehrotra T, Singh R, Tandon S, Thakur IS (2019) Biodecolorization of azo dye Acid Black 24 by Bacillus pseudomycoides: process optimization using Box Behnken design model and toxicity assessment. Bioresour Technol Rep 8:100311

    Google Scholar 

  • Li H, Wang F, Li J, Deng S, Zhang S (2021) Adsorption of three pesticides on polyethylene microplastics in aqueous solutions: kinetics, isotherms, thermodynamics, and molecular dynamics simulation. Chemosphere 264:128556

    CAS  Google Scholar 

  • Lin L, Xie M, Liang Y, He Y, Chan GYS, Luan T (2012) Degradation of cypermethrin, malathion and dichlorovos in water and on tea leaves with O3/UV/TiO2 treatment. Food Control 28(2):374–379

    CAS  Google Scholar 

  • Liu Z, Guo H, He H, Sun C (2012) Sorption and cosorption of the nonionic herbicide mefenacet and heavy metals on soil and its components. J Environ Sci 24:427–434

    Google Scholar 

  • Liu J, Yu K, Han X, Yu J, Xiang W, Zhao D, Chen B (2022) Cationic Zr-based metal-organic framework via post-synthetic alkylation for selective adsorption and separation of anionic dyes. Mater Today Chem 24:100897

    CAS  Google Scholar 

  • Luo L, Ou Y, Yang Y, Liu G, Liang Q, Ai X, Yang S, Nian Y, Su L, Wang J (2022) Rational construction of a robust metal-organic framework nanozyme with dual-metal active sites for colorimetric detection of organophosphorus pesticides. J Hazard Mater 423:127253

    CAS  Google Scholar 

  • Lyonga FN, Hong SH, Cho EJ, Kang JK, Lee CG, Park SJ (2020) As(III) adsorption onto Fe-impregnated food waste biochar: experimental investigation, modeling, and optimization using response surface methodology. Environ Geochem Health 43(9):3303–3321

    Google Scholar 

  • Mahmoodi NM, Najafi F, Neshat A (2013) Poly (amidoamine-co-acrylic acid) copolymer: synthesis, characterization and dye removal ability. Ind Crops Prod 42:119–125

    CAS  Google Scholar 

  • Mehrotra T, Shukla A, Singh (2019) In vitro toxicological evaluation of domestic effluent treated by formulated synthetic autochthonous bacterial consortium. World J Microbiol Biotechnol 35:1–13

    CAS  Google Scholar 

  • Meyers MA, Durso LM, Gilley JE, Waldrip HM, Castleberry L, Millmier-Schmidt A (2020) Antibiotic resistance gene profile changes in cropland soil after manure application and rainfall. J Environ Qual 49:754–761

    CAS  Google Scholar 

  • Minh TT, Tu NTT, Van Thi TT, Hoa LT, Long HT, Phong NH, Pham TLM, Khieu DQ (2019) Synthesis of porous octahedral ZnO/CuO composites from Zn/Cu-based MOF-199 and their applications in visible-light-driven photocatalytic degradation of dyes. J Nanomater 1–16

  • Nadar SS, Rathod VK (2018) Magnetic-metal organic framework (magnetic-MOF): a novel platform for enzyme immobilization and nanozyme applications. Int J Biol Macromol 120:2293–2302

    CAS  Google Scholar 

  • Nodeh HR, Kamboh MA, Ibrahim WAW, Jume BH, Sereshti H, Sanagi MM (2019) Equilibrium, kinetic and thermodynamic study of pesticides removal from water using novel glucamine-calix [4] arene functionalized magnetic graphene oxide. Environ Sci: Process Impacts 21(4):714–726

    CAS  Google Scholar 

  • Raghav S, Kumar D (2018) Adsorption equilibrium, kinetics, and thermodynamic studies of fluoride adsorbed by tetrametallic oxide adsorbent. J Chem Eng Data 63(5):1682–1697

    CAS  Google Scholar 

  • Rahmani A, Shabanloo A, Zabihollahi S, Salari M, Leili M, Khazaei M, Alizadeh S, Nematollahi D (2022) Facile fabrication of amino-functionalized MIL-68 (Al) metal–organic framework for effective adsorption of arsenate (As (V)). Sci Rep 12(1):1–16

    Google Scholar 

  • Ramya K, Raja CR (2016) Studies on the growth and characterization of L-arginine maleate dihydrate crystal grown from liquid diffusion technique. J Miner Mater Character Eng 4(2):143–153

    CAS  Google Scholar 

  • Ranjbar M, Taher MA, Sam A (2016) Facile hydrothermal synthesis of manganese-metal organic framework nanostructures in the presence of various organic ligands for SO 2 and CO 2 gas adsorption. J Porous Mater 23:375–380

    CAS  Google Scholar 

  • Reshak AH (2017) Spin-polarized second harmonic generation from the antiferromagnetic CaCoSO single crystal. Sci Rep 7(1):46415

    CAS  Google Scholar 

  • Salama RS, Mannaa MA, Altass HM, Ibrahim AA, Khder AERS (2021) Palladium supported on mixed-metal–organic framework (Co–Mn-MOF-74) for efficient catalytic oxidation of CO. RSC Adv 11(8):4318–4326

    CAS  Google Scholar 

  • Shukla P, Mishra A, Manivanna S, Mandal D (2022) Metal-organic-frames (MOFs) based electrochemical sensors for sensing heavy metal contaminated liquid effluents: a review. Nanoarchitectonics 3(2):46–60

    Google Scholar 

  • Sinha S, Mehrotra T, Kumar N, Solanki S, Bisaria K, Singh R (2022) A sustainable remediation of Congo red dye using magnetic carbon nanodots and B. pseudomycoides MH229766 composite: mechanistic insight and column modelling studies. Environ Sci Pollut Res 29(53):80088–80108

    CAS  Google Scholar 

  • Sinha S, Nigam S, Solanki S, Batra L, Chug P, Singh R (2023) Prospects on arsenic remediation using organic cellulose-based adsorbents. Ind Crops Prod 201:116928

    CAS  Google Scholar 

  • Solanki S, Sinha S, Bisaria K, Singh R, Saxena R (2022) Accurate data prediction by fuzzy inference model for adsorption of hazardous azo dyes by novel algal doped magnetic chitosan bionanocomposite. Environ Res 214:113844

    CAS  Google Scholar 

  • Sousa JC, Ribeiro AR, Barbosa MO, Pereira MFR, Silva AM (2018) A review on environmental monitoring of water organic pollutants identified by EU guidelines. J Hazard Mater 344:146–162

    CAS  Google Scholar 

  • Solanki S, Prakash Nair P, Saxena R, Singh R (2023a) Recent advances in metal-organic-framework-based composites for efficient sequestration of organophosphorus pesticides (OPPs). ChemistrySelect 8(5):e202203450

    CAS  Google Scholar 

  • Solanki S, Sinha S, Tyagi S, Singh R (2023b) Nanomaterials for efficient removal of heavy metals

  • Sundriyal S, Mishra S, Deep A (2019) Study of manganese-1, 4-benzenedicarboxylate metal organic framework electrodes based solid state symmetrical supercapacitor. Energy Procedia 158:5817–5824

    CAS  Google Scholar 

  • Tapouk FA, Nabizadeh R, Nasseri S, Mesdaghinia A, Khorsandi H, Yousefi M, Alimohammadi M, Khoobi M (2020) Embedding of L–arginine into graphene oxide (GO) for endotoxin removal from water: modeling and optimization approach. Colloids Surf A: Physicochem Eng Asp 607:125491

    Google Scholar 

  • Tian F, Zhang X, Chen Y (2016) Highly selective adsorption and separation of dichloromethane/trichloromethane on a copper-based metal–organic framework. RSC Adv 6(37):31214–31224

    CAS  Google Scholar 

  • Tulun Ş, Akgül G, Alver A, Çelebi H (2021) Adaptive neuro-fuzzy interference system modelling for chlorpyrifos removal with walnut shell biochar. Arab J Chem 14(12):103443

    CAS  Google Scholar 

  • Vences-Alvarez E, Chazaro-Ruiz LF, Rangel-Mendez JR (2022) New bimetallic adsorbent material based on cerium-iron nanoparticles highly selective and affine for arsenic (V). Chemosphere 297:134177

    CAS  Google Scholar 

  • Verma R, Asthana A, Singh AK, Prasad S (2017) An arginine functionalized magnetic nano-sorbent for simultaneous removal of three metal ions from water samples. RSC Adv 7(81):51079–51089

    CAS  Google Scholar 

  • Yang J, Ma C, Tao J, Li J, Du K, Wei Z, Chen C, Wang Z, Zhao C, Ma M (2020) Optimization of polyvinylamine-modified nanocellulose for chlorpyrifos adsorption by central composite design. Carbohydr Polym 245:116542

    CAS  Google Scholar 

  • Zhang H, Wang J, Zhou B, Zhou Y, Dai Z, Zhou Q, Chriestie P, Luo Y (2018) Enhanced adsorption of oxytetracycline to weathered microplastic polystyrene: kinetics, isotherms and influencing factors. Environ Pollut 243:1550–1557

    CAS  Google Scholar 

  • Zhao Y, Wang C, Wendling LA, Pei Y (2013) Feasibility of using drinking water treatment residuals as a novel chlorpyrifos adsorbent. J Agric Food Chem 61(31):7446–7452

    CAS  Google Scholar 

  • Zhao X, Liu S, Tang Z, Niu H, Cai Y, Meng W, Wu F, Giesy JP (2015) Synthesis of magnetic metal-organic framework (MOF) for efficient removal of organic dyes from water. Sci Rep 5(1):11849

    Google Scholar 

  • Ziane S, Bessaha F, Marouf-Khelifa K, Khelifa A (2018) Single and binary adsorption of reactive black 5 and Congo red on modified dolomite: performance and mechanism. J Mol Liq 249:1245–1253

    CAS  Google Scholar 

Download references

Acknowledgements

The authors are grateful to Amity Institute of Biotechnology, Amity University Uttar Pradesh, India, for providing lab facility to conduct the experiments. The authors would also like to thank University Science Instrumentation Centre (USIC), University of Delhi, for SEM, FTIR, and XRD analysis.

Funding

The authors acknowledge the financial support of the Ministry of Commerce and Industry, India.

Author information

Authors and Affiliations

  1. Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector 125, Noida, Uttar Pradesh, 201313, India

    Swati Solanki, Kavya Bisaria & Rachana Singh

  2. School of Engineering and Sciences, Tecnologico de Monterrey, 64849, Monterrey, Mexico

    Hafiz M. N. Iqbal

  3. Department of Chemistry, Kirori Mal College, University of Delhi, Delhi, India

    Reena Saxena & Shalini Baxi

  4. Light Stock Processing Division, CSIR-Indian Institute of Petroleum, Dehradun, 248005, Uttarakhand, India

    Anil Chandra Kothari

Authors
  1. Swati Solanki
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Kavya Bisaria
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Hafiz M. N. Iqbal
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Reena Saxena
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Shalini Baxi
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Anil Chandra Kothari
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Rachana Singh
    View author publications

    You can also search for this author in PubMed Google Scholar

Contributions

SS performed the experiments and wrote the manuscript. KB contributed in writing the manuscript and data analysis. HMNI performed the supervision. RS and ACK contributed to the characterization of sample. SB contributed in computational analysis and writing. RS performed supervision, funding acquisition, and help in final corrections.

Corresponding author

Correspondence to Rachana Singh.

Ethics declarations

Ethics approval and consent to participate

Not applicable.

Consent for publication

Not applicable.

Competing interests

The authors declare no competing interests.

Disclaimer

The content is solely the responsibility of the authors and does not necessarily represent the official views of the funding agency.

Additional information

Responsible Editor: Tito Roberto Cadaval Jr

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Supplementary Information

Below is the link to the electronic supplementary material.

Supplementary file1 (DOCX 805 KB)

Rights and permissions

Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Solanki, S., Bisaria, K., Iqbal, H.M.N. et al. Sugeno fuzzy inference system modeling and DFT calculations for the treatment of pesticide-laden water by newly developed arginine functionalized magnetic Mn-based metal organic framework. Environ Sci Pollut Res 30, 123126–123147 (2023). https://doi.org/10.1007/s11356-023-30944-4

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11356-023-30944-4

Keywords

Search

Navigation