Emerging environmentally friendly bio-based nanocomposites for the efficient removal of dyes and micropollutants from wastewater by adsorption: a comprehensive review.

Water scarcity will worsen due to population growth, urbanization, and climate change. Addressing this issue requires developing energy-efficient and cost-effective water purification technologies. One approach is to use biomass to make bio-based materials (BBMs) with valuable attributes. This aligns with the goal of environmental conservation and waste management. Furthermore, the use of biomass is advantageous because it is readily available, economical, and has minimal secondary environmental impact. Biomass materials are ideal for water purification because they are abundant and contain important functional groups like hydroxyl, carboxyl, and amino groups. Functional groups are important for modifying and absorbing contaminants in water. Single-sourced biomass has limitations such as weak mechanical strength, limited adsorption capacity, and chemical instability. Investing in research and development is crucial for the development of efficient methods to produce BBMs and establish suitable water purification application models. This review covers BBM production, modification, functionalization, and their applications in wastewater treatment. These applications include oil-water separation, membrane filtration, micropollutant removal, and organic pollutant elimination. This review explores the production processes and properties of BBMs from biopolymers, highlighting their potential for water treatment applications. Furthermore, this review discusses the future prospects and challenges of developing BBMs for water treatment and usage. Finally, this review highlights the importance of BBMs in solving water purification challenges and encourages innovative solutions in this field.

Design, spectral characterization, quantum chemical investigation, biological activity of nano-sized transition metal complexes of tridentate 3-mercapto-4H-1,2,4-triazol-4-yl-aminomethylphenol Schiff base ligand.

A tridentate Schiff base ligand, H2MTIP, was produced by condensing salicylaldehyde with 4-amino-4H-1,2,4-triazole-3-thiol. The ligand was then used to create nanosized complexes of Pt(II), Ni(II), Cu(II), and Pd(II). The complexes have the composition [Pt/Ni/Cu/or Pd(MTIP)(H2O)], this conclusion is supported by molar conductance, magnetic moments, elemental analyses, spectral analyses. In DFT analysis, the 6-31+ g(d,p) basis set was used to fully optimize the energy with respect to the shapes of Schiff base ligand and metal complexes. Pt(II), Ni(II), Cu(II), and Pd(II) complexes have been assigned square-planar geometries. At the same time, the intense diffraction peaks in X-ray diffractograms show their crystalline features with particle sizes in the nanoscale range. The binding interaction of calf thymus DNA with these metal complexes and their insulin-like activity was examined in vitro by inhibiting α-amylase. The study investigated the in-vitro activity of several complexes and identified Pt(II) complex as the one with the highest activity. The researchers then tested this complex for in-vivo antidiabetic activity in induced diabetic rats using the STZ model, and it significantly lowered blood glucose levels. The antioxidant activity and toxicity level of Pt(II) complex were also excellent, suggesting that it could be a good candidate for further research as a possible diabetes drug.Communicated by Ramaswamy H. Sarma.

Enhancing Cu2+ Ion Removal: An Innovative Approach Utilizing Modified Frankincense Gum Combined with Multiwalled Carbon Tubes and Iron Oxide Nanoparticles as Adsorbent.

Aquatic pollution, which includes organic debris and heavy metals, is a severe issue for living things. Copper pollution is hazardous to people, and there is a need to develop effective methods for eliminating it from the environment. To address this issue, a novel adsorbent composed of frankincense-modified multi-walled carbon nanotubes (Fr-MMWCNTs) and Fe3O4 [Fr-MWCNT-Fe3O4] was created and subjected to characterization. Batch adsorption tests showed that Fr-MWCNT-Fe3O4 had a maximum adsorption capacity of 250 mg/g at 308 K and could efficiently remove Cu2+ ions over a pH range of 6 to 8. The adsorption process followed the pseudo-second-order and Langmuir models, and its thermodynamics were identified as endothermic. Functional groups on the surface of modified MWCNTs improved their adsorption capacity, and a rise in temperature increased the adsorption efficiency. These results highlight the Fr-MWCNT-Fe3O4 composites' potential as an efficient adsorbent for removing Cu2+ ions from untreated natural water sources.

Synthesis, spectral and quantum chemical studies on NO-chelating sulfamonomethoxine-cyclophosph(V)azane and its Er(III) complex.

Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of novel ethane-1,2-diol-dichlorocyclophosph(V)azane of sulfamonomethoxine (L), and its binuclear Er(III) complex. Different tautomers of the ligand were optimized at the ab initio DFT level. Keto-form structure is about 15.8 kcal/mol more stable than the enol form (taking zpe correction into account). Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra. The structures of the novel isolated products are proposed based on elemental analyses, IR, UV-VIS, (1)H NMR, (31)P NMR, SEM, XRD spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA).

Spectral and quantum chemical studies on 1,3-bis(N(1)-4-amino-6-methoxypyrimidinebenzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane and its erbium complex.

Novel 1,3-bis(N(1)-4-amino-6-methoxypyrimidine-benzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane (L), was prepared and their coordinating behavior towards the lanthanide ion Er(III) was studied. The structures of the isolated products are proposed based on elemental analyses, IR, UV-VIS., (1)H NMR, (13)C NMR, (31)P NMR, SEM, XRD, mass spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA). Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of L and its binuclear Er(III) complex. Different tautomers of the ligand were optimized at the ab initio DFT level. Keto-form structure is about 17.7 kcal/mol more stable than the enol form (taking zpe correction into account). Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which compared by the measured electronic spectra.

Synthesis, spectroscopic, molecular orbital calculation, cytotoxic, molecular docking of DNA binding and DNA cleavage studies of transition metal complexes with N-benzylidene-N'-salicylidene-1,1-diaminopropane.

Eight mononuclear chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II), zinc(II) and cadmium(II) complexes of Schiff's base ligand were synthesized and determined by different physical techniques. The complexes are insoluble in common organic solvents but soluble in DMF and DMSO. The measured molar conductance values in DMSO indicate that the complexes are non-electrolytic in nature. All the eight metal complexes have been fully characterized with the help of elemental analyses, molecular weights, molar conductance values, magnetic moments and spectroscopic data. The analytical data helped to elucidate the structure of the metal complexes. The Schiff base is found to act as tridentate ligand using N2O donor set of atoms leading to an octahedral geometry for the complexes around all the metal ions. Quantum chemical calculations were performed with semi-empirical method to find the optimum geometry of the ligand and its complexes. Additionally in silico, the docking studies and the calculated pharmacokinetic parameters show promising futures for application of the ligand and complexes as high potency agents for DNA binding activity. The interaction of the complexes with calf thymus DNA (CT-DNA) has been investigated by UV absorption method, and the mode of CT-DNA binding to the complexes has been explored. Furthermore, the DNA cleavage activity by the complexes was performed. The Schiff base and their complexes have been screened for their antibacterial activity against bacterial strains [Staphylococcus aureus (RCMB010027), Staphylococcus epidermidis (RCMB010024), Bacillis subtilis (RCMB010063), Proteous vulgaris (RCMB 010085), Klebsiella pneumonia (RCMB 010093) and Shigella flexneri (RCMB 0100542)] and fungi [(Aspergillus fumigates (RCMB 02564), Aspergillus clavatus (RCMB 02593) and Candida albicans (RCMB05035)] by disk diffusion method. All the metal complexes have potent biocidal activity than the free ligand.

Synthesis, characterization and quantum chemical ab initio calculations of new dimeric aminocyclodiphosph(V)azane and its Co(II), Ni(II) and Cu(II) complexes.

The complexes of type [M(2)LCl(2)] in which M=Co(II), Ni(II) and Cu(II) ions and L are 1,3-o-pyridyl-2,4-dioxo-2',4'-bis(3-benzo[d]thiazol-2-yl-2-iminothiophene) cyclodiphosph(V)azane, were prepared and their structures were characterized by different physical techniques (IR, UV-Vis, (1)H NMR, (31)P NMR, mass, TGA, DTA, XRD, SEM, magnetic moment and electrical conductance measurements). Ab initio calculations at the level of DFT B3LYP/6-31G(d) were utilized to find the optimum geometry of the ligand. Spectral characterization of the ligand was simulated using DT-DFT method. Infrared spectra of the complexes indicate deprotonation and coordination of the imine NH. It also confirms that nitrogen atoms of the pyridine group and thiazole group contribute to the complexation. NBO natural charges were computed and discussed in the light of coordination centers. Electronic spectra and magnetic susceptibility measurements as well as quantum chemical calculations reveal square planar geometry for Cu(II) and Ni(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the M(2)LCl(2) composition of complexes.

New dimeric cyclodiphosph(V)azane complexes of Cr(III), Co(II), Ni(II), Cu(II), and Zn(II): preparation, characterization and biological activity studies.

The complexes of type [CrLCl](2).3.5H(2)O and [ML(H(2)O)](2).nH(2)O in which M = Co(II); n = 1, Ni(II); n = 4, Cu(II); n = 0.5 and Zn(II); n = 2 ions and L is 1,3-dimethyl-2,4-dioxo-2',4'-bis(2iminothiophene)cyclodiphosph(V)azane, were prepared and their structures characterized by elemental analysis, IR, (1)H NMR, (31)P NMR, EPR, XRD, SEM, TGA, mass, molar conductance, magnetic moment and UV-Visible spectra. Antimicrobial activities have been studied using the agar-disc diffusion technique, and the higher antimicrobial activity has been observed for the Chromium(III) complex compared to the other metal complexes.