A nano-sensor for nitrotyrosine (NT) molecule was found by studying the interactions of NT molecule with new B24N24 nanocages. It was calculated using density functionals in this case. The predicted adsorption mechanisms included physical and chemical adsorption with the adsorption energy of −2.76 to −4.60 and −11.28 to −15.65 kcal mol−1, respectively. The findings show that an NT molecule greatly increases the electrical conductivity of a nanocage by creating electronic noise. Moreover, NT adsorption in the most stable complexes significantly affects the Fermi level and the work function. This means the B24N24 nanocage can detect NT as a Φ–type sensor. The recovery time was determined to be 0.3 s. The sensitivity of pure BN nanocages could be improved without additional expensive structural manipulations. After the NT had been absorbed into the nanocage, UV–Vis spectrum analysis revealed that the transmission wavelength shifted significantly toward 390.07 nm. Hence, a redshift occurs when the NT molecule gets near the B24N24 nanocage. According to the present study model, B24N24 nanocages are possibly promising devices for NT sensors based on their electronic and structural properties.
In this work, biocompatible gold nanoparticles were synthesized by reducing the chloroauric acid with ascorbic acid as a reducing agent. Colloidal gold nanoparticles were stabilized through nontoxic acacia gum sodium hydroxide .Synthesizing gold nano particle is confirmed by the change in color of chloroauric acid from yellow to ruby red and brown color depending on the stabilizers. The gold nanoparticles were characterized by UV-Visible spectrophotometer. Where the peak of the absorbance of surface plasmon resonance (SPR) was observed between the wave length 526 and 535 nm. The results of zeta potential were found in rang (-19, -40 mv), AFM and TEM images show two different shapes, hexagonal and spherical and the size of gold nanopartic
... Show MoreBackground: Decalcification of surface enamel adjacent to fixed orthodontic appliances, in the form of white spot lesions, is a wide spread and familiar well-known side effect of orthodontic treatment. The present study was carried out to evaluate the effect of enamel protective agent (Clinpro white varnish) on shear and tensile bond strength of Dentaurum orthodontic stainless steel brackets by using 3M Unitek and Ormco as orthodontic adhesive agents. Materials and methods: Sixty-four extracted human upper first premolar teeth were selected and randomly divided into two groups with 32 teeth each, representing the shear and tensile bond strength testing groups. Then according to the type of bonding adhesive and the addition of Clinpro before
... Show Moreيعد التقطيع الصوري من الاهداف الرئيسة والضرورية في المعالجات الصورية للصور الرقمية، فهو يسعى الى تجزئة الصور المدروسة الى مناطق متعددة اكثر نفعاً تلخص فيها المناطق ذات الافادة لصور الاقمار الصناعية، وهي صور متعددة الاطياف ومجهزة من الاقمار الصناعية باستخدام مبدأ الاستشعار عن بعد والذي اصبح من المفاهيم المهمة التي تُعتمد تطبيقاته في اغلب ضروريات الحياة اليومية، وخاصة بعد التطورات المتسارعة التي شهد
... Show MoreIn this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.
The research is concerned with studying the characteristics of Sustainable Architecture and Green Architecture, as a general research methodology related to the specific field of architecture, based on the differentiation between two generic concepts, Sustainability and Greening, to form the framework of the research specific methodology, where both concepts seem to be extremely overlapping for research centers, individuals, and relevant organizations. In this regard, the research tend towards searching their characteristics and to clearly differentiates between the two terms, particularly in architecture, where the research seeks understanding sustainable and green architectures, how they are so close or so far, and the
... Show MoreThis study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study.
... Show MoreThe objective of this paper is to define and introduce a new type of nano semi-open set which called nano -open set as a strong form of nano semi-open set which is related to nano closed sets in nano topological spaces. In this paper, we find all forms of the family of nano -open sets in term of upper and lower approximations of sets and we can easily find nano -open sets and they are a gate to more study. Several types of nano open sets are known, so we study relationship between the nano -open sets with the other known types of nano open sets in nano topological spaces. The Operators such as nano -interior and nano -closure are the part of this paper.
This investigation reports application of a mesoporous nanomaterial based on dicationic ionic liquid bonded to amorphous silica, namely nano-N,N,N′,N′-tetramethyl-N-(silican-propyl)-N′-sulfo-ethane-1,2-diaminium chloride (nano-[TSPSED][Cl]2), as an extremely effectual and recoverable catalyst for the generation of bis(pyrazolyl)methanes and pyrazolopyranopyrimidines in solvent-free conditions. In both synthetic protocols, the performance of this catalyst was very useful and general and presented attractive features including short reaction times with high yields, reasonable turnover frequency and turnover number values, easy workup, high performance under mild conditions, recoverability and reusability in 5 consecutive runs without lo
... Show MoreA new proposed technique for secure agent communication is used to transfer data and instructions between agent and server in the local wireless network. The proposed technique depends on the two stages of encryption processing (AES algorithm and proposed Lagrange encryption key generation supported by XOR gate) for packets encryption. The AES key was manipulated by using proposed Lagrange interpolation key generated in order to avoid the weak encryption keys. A good multi encryption operation with a fast encryption time was proposed with a high quality connection operation.
The researches to discover useful ways to represent the agents and agent-based
systems are continuous. Unified Modeling Language (UML) is a visual modeling language
used for software and non software modeling systems. The aim of this paper is: using UML
class diagram to design treasury pharmaceuticals agent and explain its internal action. The
diagram explains the movement of the agent among other nodes to achieve user's requests
(external) after it takes them. The paper shows that it is easy to model the practical systems by
using agent UML when they are used in a complex environment.