International Journal of new Chemistry
Volume:8 Issue: 1, Winter 2021

Everybody experienced the spatial smell of a new car, or when ride a car which was exposed for a long time to the sunshine. What causes it and is new-car smell bad for our health? Most of the interior of an automobile consists of polymers and plastics held together with a number of polymeric adhesives and sealers. As a result of degradation/oxidation, polymers release volatile organic compounds which cause the smell. In this article, we will describe how degradation of polymers happens, how it effects on their performance and how polymeric materials can be characterized before and after degradation.

There are various vital reasons for cementing operation, in which fluid migration through cement slurry, as one of the most dangerous and complicated challenges faces drilling industry has been occurred. This phenomenon has become a global problem with its disastrous effects this review paper focused on the gas migration types, factors affecting on each of them and some theoretical and experimental solution. Immediate, short term and long term are the three types of gas migration based on the lifecycle of the well. There are different strategies to prevent gas migration, each type of migration have special strategies. Technical solution development, application of different cement additives in cement slurry and prediction technique for cement quality are number of strategies are developed. Hydrostatic pressure less than pore pressure and the existence of a path to gas migration are two major factors that must be stopped simultaneously to prevent migration. Understanding the mechanisms of cement hydration in early times is necessary to investigate these factors. Cement hydration can lead to swelling and shrinkage at the same time. At the beginning of cementation chemical shrinkage occurs, followed by swelling and autogenously shrinkage, and their intensity depends on the type and amount of the cement additives, the degree of hydration, the water-cement ratio and the fineness of cement. The most important factors that make the annulus pressure less than the pore pressure are: cement placement, Cement hydration in liquid state, and Cement hydration in solid-liquid state.

Due to the growing need of the scientific community to target drugs for Cancer whose use of drugs has many side effects for the patients, there are many studies that play an important role in better understanding and optimizing the laboratory processes for evaluating the drug delivery capability of drug carriers, using computational methods. Carbon nanotubes Improves drug performance and reduces side effects. In the project, the interaction of idarubicin, an anticancer drug, on carbon nanotubes was investigated using density functional calculations at B3LYP level and basis set (6-311G). The results show that the solvent dielectric constant is effective on the thermodynamic functions obtained from quantum calculations and energy from molecular dynamic calculations. Therefore, based on these results, the best environment for reaction in both methods is the water environment. Because the Gibbs free energy changes in the water environment are minimum value. And the entropy changes in this environment are highest value.

The absence of high degrees below zero in most part of Iran, especially in the Persian Gulf area, provides suitable conditions for the replacement of thermodynamic inhibitors with kinetic inhibitors. Although it is possible to use kinds of LDHIs (Low Dosage Hydrate Inhibitor), especially kinetic inhibitors in most parts of Iran, it is always necessary that the limitations of these materials are checked before using. Hydrate is an aqueous network with a set of empty spaces in a small distance. If some of this space was filled by gas molecules, the hydrate could be considered as a stable solid. In other words, gas hydrates are complex crystalline molecules that are formed from the mixture of water and suitable gas molecules.

Herein, a novel magnetic composite consisting metal-organic framework was fabricated and applied as a sorbent for selenite ions removal (Se (IV)) from water samples. The sorbent made from a metal-organic framework (MIL-101(Cr)) as a selective receptor and modified magnetite nanoparticles@amino dithiocarbamate (MNPs@ADTC) as the magnetic core. Se (IV) ions were selectively absorbed into MIL-101(Cr)/MNPs@ADTC at lower pH (1.85), while Se (VI) ions remained in the initial solution. Optimization of the parameters that affect the removal efficiency was carried out by experimental design method. Three parameters such as adsorption time, MIL-101(Cr)/MNPs@ADTC dosage, and sample pH were considered as affecting factors and the optimum value for these factors was as following: pH, 1.85; adsorption time, 14.0 min; and (c) MIL-101(Cr)/MNPs@ADTC dosage, 16.0 mg. Afterwards, the equilibrium sorption data were studied using Langmuir and Freundlich models. The mechanism for adsorption of Se (VI) ions onto MIL-101(Cr)/MNPs@ADTC was found to follow Langmuir models. Accordingly, maximum adsorption capacity and Langmuir constant were 222 mg g-1 and 0.41 L mg-1, respectively. Finally, adsorption kinetic was evaluated by use pseudo first/second order models and the obtained data revealing a pseudo second order model based on the correlation coefficient.

Chemical composition and physicochemical analysis were established in carrot (Daucus carota) seeds from Zaria, Kaduna to investigate their potential uses. The oil extraction from Carrot seed was achieved through Soxhlet extraction method. Some of the physicochemical analysis was iodine value (67.007 /100 gram of KOH), saponification value (78.94 KOH/ gram), acid value (9.54 mg), relative density (0.9797), and free fatty acid (4.797%). The analysis of the seed oil is performed by FTIR and has allowed us to identify 3 functional groups in the oil of daucus carota of cultivated seeds in Zaria. These chemical compositions are carbonyl group for a cyclic 5-membered ring (C=O), methylene group (C-H), and aromatic alkenes (C=C). From the analysis of the chemical composition, it can be concluded that the active composite of cultivated carrot seed oil are C=O, C=C, and C-H.

Uridine derivatives are important scaffolds of many organic substances, and are now drawing more and more interests to chemist and biochemist for the synthesis of new drugs and their pharmaceutical development. In this investigation, the optimization of uridine and its synthesized derivatives were employed density functional theory (DFT) with B3LYP/3-21G level theory to elucidate their thermal (electronic energy, enthalpy, Gibb’s free energy), molecular orbital (HOMO-LUMO gap, hardness, and softness) and molecular electrostatic potential (MEP) properties. Molecular docking has been performed against 3C-like protease protein 4YOI to explore the binding mode(s) and affinity with the receptor protein of derivatives (6-9 and 14), which had the better antimicrobial activity. It is found that, most of the derivatives are thermodynamically stable, chemically more reactive, and show better binding affinity than the parent drug. ADMET properties were also calculated to predict the improved pharmacokinetic features of all tested derivatives. This consciousness could be useful in perceiving the functions of uridine and their derivatives, as well as the related fervidity of other chemical and quantum properties.

One of the most controversial usages of coiled tubing in stimulation operation is the calculation of the optimum pumping rate and coiled tubing depth. Considering the investigations conducted in one of the Iranian offshore oilfields, the simulation and optimization of coiled tubing operation can be accomplished by two phase flow simulator (OLGA) and MATLAB curve fitting Simmons model to obtain the optimum rate and the depth of operation with regard to the limitations imposed by the amount of nitrogen and the operation time. Simulation and field results are compared with good agreement. The simulation and optimization comprise of both theoretical and experimental aspects on the basis of multiphase considerations. The result of simulation and comparisons are done on the basis of the nitrogen amount limitation. In this paper, it is attempted to state the necessity of coiled tubing dominant variable optimization by representing an economic equation, based on simulation results of a real operation with perception of two-phase flow realities.