Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study

Gomes, J.R.; Jorge, Miguel; Gomes, Paula

doi:10.1016/j.jct.2013.11.016

Cited by 39 publications

(17 citation statements)

References 19 publications

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“…Based on the statistical physics theory, FT-IR and also in the literature (Bhattacharyya and Sharma 2005;Dolphen and Thiravetyan 2011;Gomes et al 2014;Dhananasekaran et al 2015;Dotto et al 2015a), it was proposed a probable mechanism for the interactions between MB and SMC at pH 10.0 and 298 K. The most probable interaction mechanism is illustrated in Fig. 9.…”

Section: Probable Interaction Mechanismmentioning

confidence: 96%

“…So, it can be inferred that the MB molecules were anchored by one or two receptor sites, in parallel to the SMC surface. From the steric viewpoint, the most probable groups involved in the interactions were hydroxyl and N-acetyl groups on the SMC surface (Gomes et al 2014). Otherwise, at the temperatures of 308, 318 and 328, the n values were higher than 1, indicating that MB was adsorbed in a perpendicular position on the SMC surface.…”

Section: Experimental Curves and Model Validationmentioning

confidence: 97%

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Interpretations about methylene blue adsorption by surface modified chitin using the statistical physics treatment

et al. 2015

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In this work, the adsorption of methylene blue (MB) on surface modified chitin (SMC) was studied at molecular level using the statistical physics theory. SMC adsorbent was prepared, characterized and applied for MB adsorption. Equilibrium curves were obtained at different temperatures (298, 308, 318 and 328 K) and interpreted by the statistical physics formulism. The parameters, such as, 'n' (number of adsorbed molecule(s) per site), 'N m ' (receptor site density) and 'c 1/2 ' (concentration at half saturation) were estimated and interpreted in detail. At finally, an interaction mechanism was proposed. The results revealed that the MB adsorption on SMC can be successfully represented by the statistical physics theory. The statistical physics parameters showed that the physicochemical interactions between MB and SMC are dependent of the temperature. At 298 K, the MB molecules were anchored by one or two receptor sites, in parallel to the SMC surface (probably hydroxyl and N-acetyl groups on the SMC surface). Otherwise, at 308, 318 and 328 K, the 'n' values higher than 1, indicated a perpendicular anchorage. List of symbolsARE Average relative error (%) BET Brunauer, Emmett and Teller method BJH Barrett, Joyner and Halenda method C 0 Initial dye concentration (mg/L) c Equilibrium dye concentration (mg/L) c 1/2 Concentration at half saturation (mg/L) FT-IR Fourier transform infrared spectroscopy k B Boltzmann constant (J/K) MB Methylene blue M a Adsorbed quantity (mg/g) M M nN m (mg/g) m M a /N a N a Number of adsorbed molecules N i Receptor site occupation state N m Receptor site density (mg/g) n Number of adsorbed molecules per site n 0 Anchorage number R 2 Coefficient of determination, dimensionless SEM Scanning electron microscopy SMC Surface modified chitin T Temperature (K) UA Ultrasound-assisted V Volume of solution (L) X Adsorbent amount (g) XRD X-ray diffraction Z gcGrand canonical partition functionGreek symbols b 1/k B T eReceptor site adsorption energy (kJ/mol) l Chemical potential (kJ/mol) k max Maximum wavelength of MB

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Section: Probable Interaction Mechanismmentioning

confidence: 96%

Section: Experimental Curves and Model Validationmentioning

confidence: 97%

Interpretations about methylene blue adsorption by surface modified chitin using the statistical physics treatment

et al. 2015

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“…Chitin can be deacetylated or partially deacetylated into chitosan that can be identified by calculating the percentage of degree of deacetylation (DD). Chitin and chitosan represent as white solid, non-toxic, odourless, biodegradable, biocompatible with living tissues and bio-absorbable with antibacterial, free from antigenic effect, polar in nature and can form stable complexes with heavy metals [6,7]. Chitosan has versatile properties that can be used in different fields such as biomedicals [8], tissue engineering [9], textiles [10,11], and food processing industries [12].…”

Section: -2506mentioning

confidence: 99%

CHITIN AND CHITOSAN EXTRACTION FROM Portunus pelagicus

2017

MJAS

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Isolation of chitin and chitosan from natural sources are widely known as they can be used in many applications. Extraction of chitin and chitosan are carried out in exoskeleton of flower crab, Portunus pelagicus. Chemical treatments such as demineralization and deproteinzation processes are used for chitin extraction, and followed by deacetylation process of chitin, which is to produce its derivatives that known as chitosan. Characterization of chitin and chitosan has been done using Fourier Transform Infrared (FTIR) Spectroscopy, X-ray diffraction (XRD), CHNS elemental analysis and Thermogravimetric analysis (TGA). Preliminary results of FTIR vibrations patterns showed stretching of hydroxyl (O-H), amine (N-H) and carbonyl (C-O) groups indicated the presence of chitin and chitosan. XRD analysis indicates the crystalline nature of chitin and chitosan. The degree of deacetylation of chitin was characterized using CHNS elemental analyzer. The extracted chitosan will be used as reducing agent for silver nanoparticles synthesis in the future studies.Keywords: crustacean, marine invertebrates, bio-polymers, natural reductant Abstrak Pengasingan kitin dan kitosan daripada sumber semulajadi telah dikenali secara meluas kerana dapat digunakan dalam banyak aplikasi. Pengekstrakan kitin dan kitosan dari exoskeleton ketam bunga, Portunus pelagicus telah dilakukan. Rawatan kimia seperti proses demineralisasi dan proses deprotenisasi telah digunakan untuk pengekstrakan kitin dan diikuti dengan proses deasetilasi daripada ktin untuk penghasilan terbitannya yang dikenali sebagai kitosan. Pencirian kitin dan kitosan telah dilakukan dengan menggunakan Spektoskopi Inframerah Transformasi Fourier (FTIR), pembelauan Sinar X (XRD), analisis unsur CHNS dan analisis termogravimetri (TGA). Dapatan awal getaran FTIR menunjukkan regangan bagi kumpulan hidroksil (O-H), amino (N-H) dan karbonil (C-O) menunjukan kehadiran sebatian kitin dan kitosan. Analisis XRD menunjukkan sifat kristal bagi kitin dan kitosan. Pencirian darjah deasetilasi kitin telah dilakukan menggunakan penganalisis unsur CHNS. Ekstrak kitosan akan digunakan sebagai agen penurun bagi sintesis nanopartikel perak untuk kajian masa hadapan.Kata kunci: krustasea, invertebrata marin, bio-polimer, penurun semulajadi. IntroductionPolysaccharides have given many advantages in life science as their unique structure has shown some potential as natural bioactive component. Chitin is the second most abundant of polysaccharides on earth after cellulose that formed a linear chain of acetylglucosamine group. Chitin can be isolated from exoskeleton of crustacean for instance; shrimp shells [1], crab shells [2], fish scales [3], gastropod shell and operculum [4]. Chitin is available in three different forms, which are α, ß and γ forms. In addition, chitin has a compact structure and strong intra and inters molecular hydrogen bonds [5] that may causes the insolubility in most of the organic solvents, thus limit it in many applications, especially in clinical field. Due to this co...

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“…The long known good adsorption of heavy metal ions on chitosan is mainly attributed to the presence of amine groups at the C2 position [ 24 , 25 ]. The amine groups lead to certain properties of the chitosan, such as (i) cationic polyelectrolyte (pKa ≈ 6.5), (ii) solubility in aqueous acetic media, (iii) formation of water insoluble complexes with anionic polyelectrolytes [ 26 ], and (iv) chelation of metal ions [ 27 ].…”

Section: Introductionmentioning

confidence: 99%

The Influence of Salt Anions on Heavy Metal Ion Adsorption on the Example of Nickel

Mende¹,

Schwarz²,

Steinbach³

et al. 2018

Materials

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The biodegradable polysaccharide chitosan possesses protonated and natural amino groups at medium pH values and has therefore been used as an adsorbing material for nickel salts in water treatment. Nickel is a problematic heavy metal ion which can cause various diseases and disorders in living organisms. Here, we show the influence of oxyanions (e.g., nitrate and sulfate) to the adsorption of nickel ions. Hence, simultaneously we are addressing the increasing global problem of nitrate and sulfate ion pollution in groundwater and surface water. A series of adsorption experiments was carried out in order to determine (i) the adsorption equilibrium, (ii) the adsorption capacity in dependence on the initial nickel ion concentration, and (iii) the influence of the anion presented in solution for the adsorption capacity. Surface morphology of chitosan flakes before and after the adsorption process has been studied with SEM-EDX analysis. The chitosan flakes exhibited promising adsorption capacities of 81.9 mg·g−1 and 21.2 mg·g−1 for nickel (sulfate) and nickel (nitrate), respectively. The calculated values of Gibbs free energy change ΔG0 confirm the higher adsorption of nickel ions in presence of sulfate ions. Hence, higher anion valence leads to a higher adsorption capacity.

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Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study

Cited by 39 publications

References 19 publications

Interpretations about methylene blue adsorption by surface modified chitin using the statistical physics treatment

Interpretations about methylene blue adsorption by surface modified chitin using the statistical physics treatment

CHITIN AND CHITOSAN EXTRACTION FROM Portunus pelagicus

The Influence of Salt Anions on Heavy Metal Ion Adsorption on the Example of Nickel

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