International Journal of new Chemistry
Volume:11 Issue: 1, Winter 2024

Antibiotics as the most widely prescribed medicinal compounds are considered now as a main emerging environmental contaminant all over the world because their existence in environmental matrices not only endanger the health of human and other living organisms but also can cause serious environmental issues. The statistical studies estimate the amount of utilized antibiotics is 1×105 to 2×105 tons globally in each year. In this respect, antibiotics removal is of great importance and this review study was devoted to a comprehensive and critical look at the adsorption based methods for the removal of antibiotics (from different chemical families) and the effects of various parameters that can influence the removal capacity such as adsorbent dosage, temperature, initial concentration, solution pH, and etc. were discussed in details. Besides, some important suggestions that can enhance the removal percentage of antibiotics in the future studies were also proposed and discussed.

The motivation of this study is to investigate the interaction of Si12C12, BSi11C12, NSi11C12, BSi12C11, and NSi12C11 nanocages with Glycine amino acid (Gly). The density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at the cam-B3LYP/6-31G (p, d) level of theory by using Gaussian 09 software are utilized for this aim. The calculated results illuminate that the interaction of Gly with Si12C12, BSi11C12, NSi11C12, BSi12C11, and NSi12C11 nanocages is exothermic, and favorable in thermodynamic view. The adsorption of Gly from oxygen site (C=O) with NSi11C12 and BSi12C11 nanocage is more favorable than other complexes. The natural bonding orbital (NBO) results depicted that the electron charge transfer occur from Gly molecule toward SiC nanocage. The atom in molecule (AIM) and reduced density gradient (RDG) results confirm that the bonding between Gly and SiC nanocage is partially covalent or electrostatic type. The gap energy and global hardness of all studied complexes are lower than pure state, so the conductivity and reactivity of these complexes are more. The results of this study demonstrate that the Gly strong interact with BSi11C12, NSi11C12, BSi12C11, and NSi12C11 nanocages and the electrical structures of Gly alter significantly from pure state. These results can be considered in biological systems to investigate the effect of SiC nanocage in drug carriers and also provide information about the interaction of this nanocage with proteins in the body.

The contemporary paper refers back to the instability of linear in GeX2 (X=F, Cl & Br) molecules because of the vibronic coupling effect. Optimization and the following frequency calculations in those molecules found out that every one of those molecules were unstable in high symmetry linear (with D∞h symmetry) geometry and their systems have been bent to lower C2v symmetry geometry. On this work, we've used, TD-DFT (B3LYP/6-31G (d) calculations to gain the strength curves of the ground and excited in the bending directions Q (u) of compounds 1−3. The vibronic coupling interaction between 1g+ ground and the first 1u excited states in the Q (u) direction via (1g+ + 1u) ⊗ u PJTE problem was the reason for the symmetry breaking phenomenon. Additionally, changing atoms with different elements together with the electronegative exchange and the degree of overlap at once have an effect on the pattern of molecular orbitals. The NBO calculations were carried out to define a stability measure through the stabilization energy, E2 parameter. According to the consequences received from the vibronic principle of PJT, the bent shape of those analogs is the result of LP(3) X → LP*(2)Ge1 electron delocalization .The PJT stabilization strength decreases from compound 1 to compound three. Moreover, by the decrease of the energy gaps between reference states (Δ) the primary force constant of the ground state in the Q (u) direction (K0) could decrease from compound 1 to compound 3.

Nanostructures are engineered structures with features at the nanoscale generally refer to the material systems that are in the range of 1 to 100 nanometers. In a nanostructure, electrons are normally confined in one of the dimensions, whereas in the other dimensions, they are free to move in all directions. These nanomaterials have enormous applications in electronics, medicine, agriculture, biomedical engineering, and environmental remediation techniques, which make these materials among the most promising and evolving materials in the recent era. Nanostructured materials can be categorized into four types such as: (1) inorganic-based nanomaterials; (2) carbon-based nanomaterials; (3) organic-based nanomaterials; and (4) composite-based nanomaterials. Generally, inorganic-based nanomaterials include different metal and metal oxide nanomaterials. Carbon-based nanomaterials include graphene, fullerene, single-walled carbon nanotube, multiwalled carbon nanotube, carbon fiber, an activated carbon, and carbon black. The organic-based nanomaterials are formed from organic materials excluding carbon materials, for instance, dendrimers, cyclodextrin, liposome, and micelle. The composite nanomaterials are any combination of metal-based, metal oxide-based, carbon-based, and/or organic-based nanomaterials, and these nanomaterials have complicated structures like a metal-organic framework.

An Au electrode modified with Persian blue (PB), has been applied to the electrocatalytic oxidation of uric acid, which reduced the overpotential by about 165 mV with obviously increased current response. The cyclic voltammetry method was employed to characterize the electrochemical behavior of the chemically modified electrode. The electrocatalytic efficiency of the modified electrode towards uric acid oxidation process depends on the solution pH value, and the optimum pH value for the oxidation of uric acid is 7.0. The overall number of electrons involved in the catalytic oxidation of uric acid and the number of electrons involved in the rate-determining steps are 2, respectively. And diffusion coefficient of the uric acid compound was estimated using the chronoamperometry technique. The proposed method is simple and rapid with excellent selectivity and sensitivity within the linear range of 0.2-2 mM uric acid with a detection limit of M and correlation coefficient R2 = 0.9913.

Application of green chemistry for the synthesis of silver nanoparticles (AgNPs) using extracts of takes off of Ruta, Pimpinella saxifrage, and mango. And also a new method to reproduce new drugs based on silver nanoparticles with omeprazole and omeprazole sulfide and pantoprazole and pantoprazole sulfide with extricates of Ruta, Pimpinella saxifrage, and mango. In this investigation, the plant extricate was used to create natural silver nanoparticles. In this reaction, each drug was carried out with silver nitrate salt with a concentration of 30 ml at room temperature, which changes the color of the compound from green to dark. In expansion, within the second step, silver nanoparticles were included within the narcotic, and an advanced metal nanoparticle from the plant extricates as a silver molecule reducer. The retention crest esteem is between 400-450 nm for the extricate and the color alters to dark compared to silver plasmon retention. FT-IR range appeared that drugs were effectively put on the surface of silver nanoparticles.