Green synthesis,characterization, and biological activities of saffron leaf extract-mediated zinc oxide nanoparticles: A sustainable approach to reuse an agricultural waste

To increase the profitability and sustainability of agricultural waste, a facile green approach was established to synthesize zinc oxide nanoparticles (ZnO NPs) using saffron leaf extract as a reducing and stabilizing agent. Structural characteristics of NPs were investigated by X-ray diffraction (XRD), Fourier-transform infrared (FTIR), field emission scanning electron microscopy (FESEM), and UV–Visible (UV–Vis) spectroscopy. Characterization results revealed that ZnO NPs is highly crystalline with a hexagonal wurtzite structure and spherical particles with diameter less than 50 nm, as confirmed by XRD and FESEM techniques. UV–Vis absorption spectra depicted an absorption peak at 370 nm, which confirms the formation of ZnO NPs. FTIR spectral analysis confirmed the presence of functional groups and metal oxygen groups. The biological activities of ZnO NPs were also investigated. The antibacterial effect of ZnO NPs was investigated against selected food pathogens (Salmonella Typhimurium, Listeria monocytogenes, and Enterococcus faecalis). The study results prove that the green synthesized ZnO NPs show enhanced antibacterial activity against S. Typhimurium when compared with other strains. A dose-dependent free radical scavenging activity was observed for ZnO NPs in both 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) and fluorescence recovery after photobleaching (FRAP) assays. The ZnO NPs were evaluated for their photocatalytic activity during the degradation of methylene blue (MB) dye in aqueous solutions. The maximum removal of MB achieved was 64% with an initial ZnO NP concentration of 12 mg/mL under UV light. The present study revealed that the agricultural waste (saffron leaf) provides a simple and eco-friendly option to sustainably synthesize ZnO NPs for use as a photocatalyst. In addition, this is the first report on saffron leaf-mediated synthesis of ZnO NPs.     

Preparation, nano purification, quality control and labeling optimization of [64Cu]-5,10,15,20-tetrakis (penta fluoro phenyl) porphyrin complex as a possible imaging agent

Cu-64 was produced via the ⁶⁸Zn (p,αn)⁶⁴Cu nuclear reaction (≈200 mCi, >95 % chemical yield at 180 μA for 1.1 h irradiation, (radionuclidic purity >96 %, copper-67 as impurity) followed by purification with amino functionalized nano magnetic oxide, Fe₃O₄ aiming to remove trace amount of heavy metal ions from aqueous media due to achieve ultra pure [⁶⁴Cu] CuCl₂ for labeling step. [⁶⁴Cu] labeled 5,10,15,20-tetrakis(penta fluoro phenyl) porphyrin ([⁶⁴Cu]-TFPP) was prepared using freshly prepared [⁶⁴Cu] CuCl₂ (Cu-64; T _1/2 = 12.7 h) and 5,10,15,20-tetrakis(penta fluoro phenyl)porphyrin (H₂TFPP) for 60 min at 100 °C under reflux condition (radiochemical purity: >97 % ITLC, >98 % HPLC, specific activity: 14–16 GBq/mmol). Stability of the complex was checked in final formulation and human serum for 24 h. The partition coefficient was calculated for the compound (log P = 0.73). The biodistribution of the labeled compound in vital organs of wild-type rats was studied using scarification studies and PET imaging up in 2 and 4 h after injection. A detailed comparative pharmacokinetic study performed for ⁶⁴Cu cation and [⁶⁴Cu]-TFPP. The complex is mostly washed out from the circulation through kidneys and liver and can be an interesting tumor imaging/targeting agent due to high specific uptake and rapid excretion through the urinary tract.     

A catalyst-free and green method for synthesis of 9-substituted-9H-diuracilopyrans in magnetized water: experimental aspects and molecular dynamics simulation

Research on Chemical Intermediates - The reactions of aldehydes and barbituric acid at low temperatures in magnetized water, as a green-promoting medium, provides 9-substituted-9H-diuracilopyrans...     

Applications of intelligent methods in various types of heat exchangers: a review

Journal of Thermal Analysis and Calorimetry - Heat exchangers are applicable in different industries and technologies, and their performance is influenced by different parameters. In addition to...     

Hydrophobic modification of nanocellulose and all-cellulose composite films using deep eutectic solvent as a reaction medium

Cellulose - In this work, deep eutectic solvent (DES) based on imidazole and triethylmethylammonium chloride was used as a reaction medium for the esterification of cellulose nanofiber (CNF) and...     

Conversion of sugarcane bagasse to carboxylic acids using a mixed culture of mesophilic microorganisms

Using the MixAlco process, biomass can be converted into carboxylic acids, which can be chemically converted into mixed alcohol fuels. This study focused on the use of countercurrent fermentation to anaerobically convert sugarcane bagasse and chicken manure to mixed carboxylic acids using a mixed culture of mesophilic microorganisms from terrestrial and marine sources. Bagasse was pretreated with lime to increase digestibility. The continuum particle distribution model (CPDM) simulated continuous fermentors based on data collected from batch experiments. This model saves considerable time in determining optimum operating conditions. For an 80% bagasse/20% chicken manure fermentation with terrestrial inoculum at a volatile solids loading rate (VSLR) of 7.36 g/(L of liquid·d) and a liquid residence time (LRT) of 8.88 d, total carboxylic acid productivity, total acid selectivity, and yield were 2.49 g/(L of liquid·d), 0.581 g of total acid/g of VS digested, and 0.338 g of total acid/g of VS fed, respectively, at a concentration of 18.7 g of total acid/L. At the same VSLR and LRT, fermentation with marine inoculum gave higher total acid productivity, total acid selectivity, and yield than fermentation with terrestrial inoculum. For an 80% bagasse/20% chicken manure fermentation with marine inoculum at a VSLR of 3.83 g/(L of liquid·d) and an LRT of 12.1 d, total carboxylic acid productivity, total acid selectivity, and yield were 1.38 g/(L of liquid·d), 0.667 g of total acid/g of VS digested, and 0.359 g of total acid/g of VS fed, respectively, at a concentration of 16.2 g of total acid/L.     

The Radical Cationic Repair Pathway of Cyclobutane Pyrimidine Dimer: The Effect of Sugar‐Phosphate Backbone

Radical cationic repair process of cis–syn thymine dimer has been investigated when (1) sugar‐phosphate backbones were substituted by hydrogen atoms, (2) phosphate group was substituted by two hydrogen atoms each on a sugar ring and (3) sugar‐phosphate backbone was taken into account. The effect of the interactions between N1 and N1′ lone pairs and the C6‐C6′ antibonding orbital are the most important evidences for the cleavage of the C6‐C6′ bond in the first step of radical cationic repair mechanism in the absence of the sugar‐phosphate backbone. The impact of the N1 and N1′ lone pairs on the C6‐C6′ bond cleavage decreases and the energy barrier of the cleavage of that bond significantly increases in the presence of the deoxynucleoside sugars and the sugar‐phosphate backbone.     

Spectral and Thermal Studies of Some New Metal Complexes Derived from N-[(Phenylamino)Thioxomethyl] Hydrazinocarbonyl Methyl Pyridinium Chloride (PTHMPC)

New metal complexes derived from the reaction of N-[(phenylamino)thioxomethyl] hydrazino carbonyl methyl pyridinium chloride (H₂L; PTHMPC) with some metal salts of the general formula MX₂ [(X = Cl^? and/or CH₃COO^?; M = Cd(II), UO₂(II), Mn(II) and Zr(IV)] were synthesized and characterized by elemental analyses, spectral analyses (IR, UV-vis., ¹H NMR), thermal analyses (TGA, DTG), and conductance and magnetic measurements. The results showed that the ligand exists in metal complexes either in the keto form or in the enol form. Moreover, the IR spectral data suggest that the acetate ion behaves in a monodentate manner. Semi-empirical calculations ZINDO/1, PM3, and AM1 have been used to study the molecular geometry and the harmonic vibrational spectra of the ligand and its metal complexes with the purpose of assisting the experimental assignment of the complexes. Generally, there is an agreement between the observed and the calculated spectra. Finally, the thermodynamic parameters (ΔE*, ΔH, ΔG, and ΔS) have been calculated from the data of thermal analyses (TGA and DTG).

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

An Ab Initio Study and NBO Analysis of the Stability and Conformational Properties of Hexakis(trimethylelementhyl)benzene (Element = C,Si, Ge,and Sn)

Ab initio molecular orbital and density functional theory were used to investigate energetic and structural properties of the various conformations of hexa-tertbutylbenzene (1), hexakis(trimethylsilyl)benzene (2), hexakis (trimethylgermyl)benzene (3), and hexakis(trimethylstannyl)benzene (4). HF/3-21G//HF/3-21G and B3LYP/3-21G//HF/3-21G results revealed that the Twist-Boat (TB) conformer of compound 1 is more stable than the 1-Chair (C), 1-Boat (B), and 1-Planar (P) conformers. B3LYP/3-21G//HF/3-21G results show that the 1- TB conformer is more stable than 1- C, 1- B, and 1- P conformers of about 1.13, 4.34, and 99.94 kcal mol^?1 , respectively. Contrary to the stability order of compound 1 conformers, the C conformer of compounds 2–4 is more stable than TB, B, and P conformations, as calculated by B3LYP/3-21G//HF/3-21G and HF/3-21G//HF/3-21G levels of theory. The energy gap between the C and P conformers in compounds 1–4 is decreased in the following order: ΔE(4: C, P) < ΔE (3: C, P) < ΔE(2: C, P) < ΔE (1: C, P). This fact can be explained in terms of the increase of C _aromatic -M (M═C, Si, Ge, and Sn) bond lengths and the decrease of steric (van der Waals) repulsions in the previously discussed compounds. For compounds 1–3, the calculations were also performed at the B3LYP/ 6-31G*//HF/3-21G level of theory. However, the comparison showed that the results at B3LYP/3-21G//HF/3-21G methods correlated well with those obtained at the B3LYP/6-31G*// HF/6-31G method. Further, NBO analysis revealed that in compounds 1–4, the resonance energy associated with the σ_M-C1 to σ*_C2-C3 delocalization is 5.20, 9.68, 11.15, and 12.27 kcal mol^?1, respectively. These resonance energy values could explain the easiness of the ring flipping processes of C, B, and TB conformers of compounds 4 to 1. Also, the NBO results showed that by an increase of the σ_M-C1 → σ *_C2-C3 resonance energies in compounds 1–4, the σ_M-C1 bonding orbital occupancies decrease. This fact could fairly explain the increase of the C_aryl-M bond length from compound 1 to 4. The NBO results are also in good agreement with the calculated energy barriers for the ring flipping of the chair conformations in compounds 1–4, as calculated by B3LYP and HF methods.