Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
... Show MoreThe present article studies the specific cultural features contained in phraseological units. The problem is approached through three different levels:
- The modern linguistic meaning.
- Lexical components of phraseological units.
- The first variables of linguistic units.
The paper emphasizes the gradual process of the cultural charge in the semantic structure of phraseological units.
Наша Статья посвящена вопросам анализа национ-ально - культурной сп
This paper shows an approach for Electromyography (ECG) signal processing based on linear and nonlinear adaptive filtering using Recursive Least Square (RLS) algorithm to remove two kinds of noise that affected the ECG signal. These are the High Frequency Noise (HFN) and Low Frequency Noise (LFN). Simulation is performed in Matlab. The ECG, HFN and LFN signals used in this study were downloaded from ftp://ftp.ieee.org/uploads/press/rangayyan/, and then the filtering process was obtained by using adaptive finite impulse response (FIR) that illustrated better results than infinite impulse response (IIR) filters did.
In this paper, our aim is to study variational formulation and solutions of 2-dimensional integrodifferential equations of fractional order. We will give a summery of representation to the variational formulation of linear nonhomogenous 2-dimensional Volterra integro-differential equations of the second kind with fractional order. An example will be discussed and solved by using the MathCAD software package when it is needed.
In this article, the research presents a general overview of deep learning-based AVSS (audio-visual source separation) systems. AVSS has achieved exceptional results in a number of areas, including decreasing noise levels, boosting speech recognition, and improving audio quality. The advantages and disadvantages of each deep learning model are discussed throughout the research as it reviews various current experiments on AVSS. The TCD TIMIT dataset (which contains top-notch audio and video recordings created especially for speech recognition tasks) and the Voxceleb dataset (a sizable collection of brief audio-visual clips with human speech) are just a couple of the useful datasets summarized in the paper that can be used to test A
... Show MoreBackground: Fractures of the humeral shaft
accounting for approximately 3% of all
fractures. There is a wide array of good
options for their treatment and controversy
over the best methods. Although good
techniques of osteosynthesis are available, the
aim of this article is toemphasize on the benefit
and good outcome of conservative treatment
for properly selected cases to decrease the cost
and avoid the complications of surgery.
Background: The internally displaced children are vulnerable groups have less access to dental services, worse oral health, and bear a disproportionate burden of oral diseases. Aim of the study: This study was conducted on group of internally displaced children living in Baghdad governorate camps to measure their dental caries prevalence and experience and find out the association between dental caries and the duration of displacement in camps. Subjects and methods: A sample of 1393 children were selected, 567 internally displaced children from camps in Baghdad governorate and 826 school children as control matching in age and gender. The age of children ranged from 5-12 years old. Oral examination was performed using WHO 2013 criteria, to
... Show MorePolycaprolactone polymer is widely used in medical applications due to its biocompatibility. Electro spinning was used to create poly (ε- caprolactone) (PCL) nanocomposite fiber mats containing hydroxyapatite (HA) at concentrations ranging from 0.05 to 0.4% wt. The chemical properties of the fabricated bio composite fibers were evaluated using FTIR and morphologically using field-emission scanning-electron microscopy (FESEM), Porosity, contact angle, as well as mechanical testing(Young Modulus and Tensile strength) of the nanofibers were also studied. The FTIR results showed that all the bonds appeared for the pure PCL fiber and the PCL/HA nano fibers. The FESEM nano fiber showed that the fiber diameter increased from 54.13 to 155.79 (n
... Show MoreShiranish Formation (Late Campanian- Maastrichtian) that cropping out north east Iraq, is studied by microfacies analysis of 52 thin section collected from Hijran Section, about 10 km west Shaqlawa Town, Governorate of Erbil. According to petrography, mineralogy and organic contents, rocks are subdivided to crystalline carbonate and microfacies units (biowackstone, packstone, and mudstone facies). Biowackstone facies have high ratio of the rock components, while the other facies have low ratio. Microfacies analysis led to relatively quiet deep marine environment.