Chromatographic method for pre-concentration and separation of Zn(II) with microalgae and density functional optimization of the extracted species Bhabatosh Mandal, * Monalisha Mondal, Bhavya Srivastava, Milan K. Barman, Chandan Ghosh and Mousumi Chatterjee A novel wild strain of microalgae, Phormidium luridum containing Gloeothece rupestris and Chlorococcum infusionum (99 : 0.08 : 0.02), was studied for its ability to remove and retrieve Zn(II) from aqueous solutions in the presence of some commonly occurring ions (Na + ,K + , Cl , SO 4 2 , ClO 4 , NO 3 ) in their natural contamination concentration range (50300 mg L 1 ). The algae, which were previously collected from the river basin (Ajay), were grown on naturally occurring gravels in a glass column of nutrient enriched raw water media. Systematic studies of the sorption of Zn(II) (0.02 mg mL 1 ) over a pH range of 4.57.5 identied a maximum removal extent of 104 mMg 1 at neutral pH, mainly by adsorption at the surface layer. Zn(II) was retrieved by selective elution with 5 10 3 M HNO 3 solution. Initially, [Zn(H 2 O)(OH)] + (h [Zn(OH)(H 2 O)] + ¼ 1.25 eV) is adsorbed at the surface of the algae, which is built up of polysaccharides (h [glucose] ¼ 6.34 eV), before moving inside by the formation of a more stable complex with Phycocyanobilin2, which has similar hardness (h [Phycocyanobilin] ¼ 2.37 eV). The complex is stabilized by 52 195.48 eV mol 1 through the formation of two strong intramolecular hydrogen bonds (OH/O ¼ 163.54 pm; HOH/O ¼ 129.71 pm). Density functional theory optimization corroborates a stable [Zn(H 2 O)(OH)] + Phycocyanobilin2 tetrahedral complex. 1. Introduction Due to several industrial activities, natural water sources have become contaminated by metallic toxicants. 1 Owing to their tendency to (bio) accumulate throughout the food chain, 24 even at trace levels these non-biodegradable contaminants are extremely toxic to humans, as well as to the ora and fauna of the euent-receiving bodies of water. 5 It goes without saying that trace level monitoring and measurement of metallic toxi- cants in real samples poses a challenge to analytical chemists. However, the eect of the matrix has serious implications for sophisticated instrumental methods of analysis. 6 Sample clean up through preconcentration and selective separation of an analyte is therefore usually necessary before it can be monitored or measured. During preconcentration, ultimately the target species is selectively gathered in a small volume from a large volume of sample of a complex nature. The problem of enrichment can be tackled by two consecutive processes: (1) exploiting selective sorption, the target species is adsorbed by the adsorbent from a large volume sample of low concentration and (2) the analyte is collected in a more concentrated form using a small volume of a selective eluent for its desorption. Small amounts of metal pollutant can, therefore, be quantied by coupling a preconcentration system to a sensitive, selective detection/estimation technique. 7,8 In this regard, the most widely used techniques include solvent extraction, 9 coprecipi- tation, 10,11 ion exchangeextraction chromatography, 12,13 adsorption, 14 cloud point extraction, 15 electrochemical deposi- tion, 16 solid phase extraction (SPE). 1719 However, these classic technologies are oen inecient or too expensive when heavy metals are present at trace level in a real sample with a large amount of matrix. 20 Moreover, these need a signicant amount of hazardous solvents/chemicals which may increase environ- mental risks. It is therefore important to devise ecient bio- sorption methods to remove those toxic elements, with a further requirement of being environmentally-friendly. Metabolic specicity for a given metallic toxicant can be advantageous in bioremediation strategies using bioaccumulation. 21 Sorption of heavy metals using cyanobacterium as biosorbents oers a potential alternative to conventional processing methods, mainly because of their low cost, strong metal binding capacity, high sorption eciency in dilute euents, environmentally- friendliness 22,23 and, more importantly, because of their self- maintained adsorbent beds. 21 The analytical applicability of Phormidium luridum (microalgae) as a biosorbent for the recovery/removal of Zn(II) has been rationalized for two reasons. Firstly, the extensive use of zinc in galvanization and Analytical Laboratory, Department of Chemistry, Visva-Bharati, Santiniketan 731235, India. E-mail: bhabatosh_mandal@yahoo.co.in Electronic supplementary information (ESI) available. See DOI: 10.1039/c5ra01867f Cite this: RSC Adv. , 2015, 5, 31205 Received 30th January 2015 Accepted 13th March 2015 DOI: 10.1039/c5ra01867f www.rsc.org/advances This journal is © The Royal Society of Chemistry 2015 RSC Adv., 2015, 5, 3120531218 | 31205 RSC Advances PAPER