Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), soft

The crystal structures of a new polymorph and seven new derivatives of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine have been characterized and examined along with three structures from the literature to identify trends in their intermolecular contact patterns and packing arrangements in order to develop an insight into the crystallization behaviour of this class of compound. Seven unique C-H...X contacts were identified in the structures and three of these are present in four or more structures, indicating that these are reliable supramolecular synthons. Analysis of the packing arrangements of the molecules using XPac identified two closely related supramolecular constructs that are present in eight of the 11 structures; in all cases, the st

The current study deals with host-guest complex formation between cucurbit [7] urils as host and lansoprazole as guesti using PM3 (semi empirical molecules orbital calculations) also DFT calculations. In this complex, the formation of hydrogen bonding may be occurred through portal oxygen atoms(O2) of cucurbit [7] urils and amine groups (NH 2 )of the drug. The energies of HOMO and LUMO orbital’s have been computed for the host guest complex and its components. The result of the stabilization energy explained a complex formation.

      In the current study, the observations depended on some nuclear properties of Germanium isotopes that are used for multiple purposes by studying transverse sections when interacting with charged particles such as alpha and proton particles and their interaction with gamma rays of conjugal isotopes relative to the stability of the nucleus with other nuclei. By calculating the cross sections of the  (α, )   ,  (γ,x)0-NN-1, (γ,2n)  , (α,p)  reactions of  isotope. Nuclear reactions in the newer global libraries (EXFOR, ENDF, JEF, JEFF, GENDL) have been published to identify appropriate energies in calculating the inverse nuclear re

The effect of chronic exposure to two different levels of cadmium chloride (CdCl2) 30 ppb and 40 ppb in drinking water for 12 weeks on thyroid function of mature male rabbits was studied. Eighteen mature male rabbits  were randomly divided into three groups (each of six ) , control group (group I ): were offered ordinary tap water , and treated groups (II and III ) were offered tap water containing 30ppb and 40 ppb respectively for 12 weeks .Serum concentration of  thyroxin (T4 ) and triiodothyronine (T3) were measured every six weeks ,as an index  of  thyroid function , further more ,  section of thyroid gland were prepared for histological studies. The results showed that  chronic exposure of male rabbits

Mechanical rock properties are essential to minimize many well problems during drilling and production operations. While these properties are crucial in designing optimum mud weights during drilling operations, they are also necessary to reduce the sanding risk during production operations. This study has been conducted on the Zubair sandstone reservoir, located in the south of Iraq. The primary purpose of this study is to develop a set of empirical correlations that can be used to estimate the mechanical rock properties of sandstone reservoirs. The correlations are established using laboratory (static) measurements and well logging (dynamic) data. The results support the evidence that porosity and sonic travel time are consistent i

Simulation of free convection heat transfer in a square enclosure induced by heated thin plate is represented numerically. All  the enclosure walls have constant temperature lower than the plate’s temperature. The flow is assumed to be two-dimensional. The discretized equations were solved stream function, vorticity, and energy equations by finite difference method using explicit technique and Successive Over- Relaxation method. The study was performed for different values of Rayleigh number ranging from 10³ to 10⁵ for different angle position of heated thin plate(0°, 45°, 90°). Air was chosen as a working fluid (Pr = 0.71). Aspect ratio of center of plate to the parallel left wall A₂

The development of advanced lithium-sulfur (Li-S) batteries has gathered noteworthy attention due to their high theoretical energy density and potential for use in next-generation energy storage systems. This study focuses on the thermodynamic and dynamic analysis of advanced Li-S battery electrolytes using spectroscopic methods. By employing techniques such as nuclear magnetic resonance (NMR), Raman spectroscopy, and infrared (IR) spectroscopy, the research explores the interaction mechanisms between lithium ions and sulfur compounds within various electrolyte formulations. The results provide insights into the solvation structures, ion transport properties, and the stability of intermediates, which are significant for improving th