Hirshfeld surface, spectroscopic investigation (FT-IR, Raman and NMR), Reactive descriptor and docking study of Naphthalene-1-yl acetic acid
The Fourier transform infrared, FT-Raman and NMR spectra of Naphthalene-1-ly acetic acid (NAA) have been recorded and analyzed. Harmonic vibrational frequencies have been investigated with the help of Density functional theory (DFT) with 6-31+G(d, p) and 6-31++G(2d, 2p) basis sets. The Gauge-Invariant Atomic Orbital Approach (GIOA) is used to calculate the proton and carbon chemical shifts of the title compound. The natural bond orbital analysis of the title compound is also reported in order to understand the stability of the molecule which arises from hyper-conjucative intermolecular interactions and charge delocalization. The polarizability (?), first order hyper-polarizability (?) and second order hyper-polarizability (?) values of the investigated molecule have been computed using DFT quantum mechanical calculations. The molecular orbital contributions are studied by the density of energy states (DOSs). The reactivity sites are by mapping the electron density into the electrostatic potential surface (MEP). Mulliken analysis of atomic charges is also calculated. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in NAA. Hirshfeld surface and fingerprint plots reveal that the complex structure is stabilized mainly by H…H, C…C, C…H intermolecular interactions. Finally, molecular docking studies have been carried out in the active site of NAA was also investigated.
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Role of interaction between Rhodcoccus erythropolis Bacteria and (Hematite-Quartz System)
In a world of diminishing resources, current research efforts are often directed to extending the life of existing resources and developing technology to treat resources deemed uneconomic. To this end, biotechnology has been explored as a potential low cost, environmentally benign alternative to many of the current mineral processing techniques. Microorganisms and their metabolites have been successfully applied in the leaching of metals from medium and low grade sulfide minerals for many years. Recent fundamental studies have shown that selected bacteria may also assist in the beneficiation of these minerals through bio-flotation. Interaction between Rhodococcus erythropolis with minerals such as hematite, and quartz brought about signi?cant surface chemical changes of the minerals surfaces. Quartz was rendered more hydrophilic, while hematite became more hydrophobic after bio-treatment. Different characterization techniques for single minerals and bacteria before and after interaction as scanning electron microscope (SEM), Fourier transform infrared spectrophotometry (FTIR), zeta potential have been done.
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Proportions and severity levels of anxiety among children and adolescents presenting with autism spectrum disorder in two schools in Nairobi, Kenya.
Autism is one disorder among a spectrum of disorders known as Pervasive Developmental Disorders (PDD) or Autism Spectrum Disorders (ASD). It is a general term that describes mental ailments that has diverse symptoms and characteristics. These include; restricted/repetitive patterns of behaviour, interests, and activities during the early developmental period. Others exhibit hyperactivity, aggression and anxiety. The individual’s functionality is impaired requiring early intervention. Anxiety is a common comorbid and if left untreated affects the social functionality in ASD. This study looked at the proportion and levels of severity of the anxiety in a sample of 80 school children and adolescents with ASD. The goal of this study was to determine the levels, proportions and severity of anxiety among children presenting with ASD. The sample of 80 children and adolescents with ASD were observed and rated by their parents/teachers/caregivers using the Child and Adolescent Symptom Inventory (CASI) to measure anxiety. Eighty four percent of the total sample met cut-off criteria of at least one anxiety disorder. Anxiety was associated with poor coping skills and greater impairments in social reciprocity. Anxiety is a common comorbid in ASD which requires clinical assessment and treatment. It is important to those who deal with children and adolescent with ASD to understand the symptoms and management of anxiety both in school and other settings (home, social places).
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An Investigation on the Effects of Asphalt Rutting in Traffic Collision (Case Study: Ghorveh-Hamedan Route)
In this study, we investigate the effect of asphalt rutting on road Traffic collision. Rutting is one of the most important and customary failures in flexible pavements, not only impose heavy costs on custodians and road users, but also cause lots of safety hazards. rutting occurs by permanent and irreversible aggregate changes in surface layers of pavement under the under repeated traffic loading Among all the involved layers in rutting, the permanent movement in surface layer of the pavement allocate a great deal of fractures, so it is necessary to pay close attention to the permanent changes in asphalt mixtures in aggregation plans. By having view to the climatic conditions, the slipping potential of vehicles in rainy or snowy weather leads to reduction in roads safety, and consequently increase in Traffic collision. The statistical population in this research is 45 randomly selected drivers of crew members in public transformation fleet, freight, and passengers' cars. The applied data collection method in research is questionnaire and SPSS Statistical software used to data analysis. In this paper, we investigate the phenomenon of asphalt rutting in Ghorveh-Hamedan route and its correlation with Traffic collision.
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An examination of the orientalists' views on the Quran collection time
An examination of the orientalists' (1860-1977) opinions gives in four different views on the Qur’?n collection time: John Burton believes that the collection of the Qur’?n occurred in the prophet Mu?ammad's lifetime. Friedrich Schwally claims that the Qur’?n was collected during the ‘Uthm?n's time. In Paul Casanova and Alfones Mingana's viewpoint, the Qur’?n was collected during ‘Abd al-Malik's era following ?ajj?j b. Y?suf's order. Finally, John Wansbrough believes that the collection of the Qur’?n was carried out in the early third century AH. From among these opinions, Burton's view can been accepted, not on the basis of the reasons he has underscored in his research, but rather, due to the intellectual, historical, narrative, and qur’?nic principles that some Muslim scholars have put forth.
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Online Analytical Examination System
The objective of this web application is to develop a system to conduct online tests in various domains and functional areas. The purpose is to enable a fast evaluation of applicant’s skills and abilities. Online Analytical Examination is the application useful to conduct online examination for an organization, Academic institutions and training centers. It is an excellent test management, which offers a complete solution for Computer Based Test (CBT). It keeps all the records of conducted exams, score reports and other info.The aim of “Online Analytical Examination” system is to take online test in an efficient manner and no time wasting for checking the paper. The main objective of online exam is to efficiently evaluate the candidate thoroughly through a fully automated system that not only saves lot of time but also gives fast results for students the paper are given to students as their convenience and time and there is no need of using extra thing like paper, pen etc.
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Teachers’ Perception of Personnel Management Functions and their Job Performance in Ikom Education Zone of Cross River State, Nigeria
The study was conducted to examine secondary school teachers’ perception of personnel management functions and their job performance in Ikom Education Zone of Cross River State, Nigeria. The study utilised two objective, research questions and hypotheses and the ex-post facto research design was adopted for the study. The study population comprised all public secondary school teachers in Ikom Education Zone of Cross River State. Data obtained from the Ministry of Education, Calabar which stood at 15, 972 and a sample of 529 teachers were used and the study with stratified random sampling technique a well validated researcher’s developed instrument titled School Teachers’ Perception of Personnel Management Functions and their Job Performance Questionnaire (STPPMFJPQ) was adopted for data collection. The instrument was scrutinized for correction by expert validation the Department of Educational Foundations and Administration, and two from Measurement and Evaluation, all from the Cross River University of Technology, Calabar. The face validity was also determined using the split half reliability method to determine the internal consistency which ranged from .76 to .84 accordingly and the data was analysed using descriptive (mean and standard deviation), and inferential statistical analysis (One-Way Analysis of Variance). The major findings revealed that there is a significant influence of staff recruitment on secondary school teachers’ job performance. Also, staff development programmes do significantly influence secondary school teachers’ job performance. It was recommended among others that the government should endeavor to recruit competent teachers in schools, so as to promote quality and standard in the teaching profession this will further enhanced teachers’ job performance in Ikom Education Zone.
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Dr. Gopal DIXIT joined the team of Elixir Editorial Advisory Board from 16th August 2017
We are very happy to announce that from 16th August 2017, Dr. Gopal DIXIT has joined the team of Elixir Editorial Advisory Board. He/She will carry a special responsibility for dealing with manuscripts based on Botany. Dr. Gopal DIXIT working as Sr. Asst. Prof & Head, Department of Botany, Upadhi PG College, Pilibhit-262001 (UP) INDIA. The appointment of Dr. Gopal DIXIT as member Editorial Advisory Board strengthens the links and will make it easier for prospective authors to establish contact with the journal.
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Dr. Anshul Arora joined the team of Elixir Editorial Advisory Board from 16th August 2017
We are very happy to announce that from 16th August 2017, Dr. Anshul Arora has joined the team of Elixir Editorial Advisory Board. He/She will carry a special responsibility for dealing with manuscripts based on Dental Sciences. Dr. Anshul Arora working as Reader Conservative Dentistry & Endodontics, Faculty of Dental Sciences, SGT University, Gurgaon, New Delhi, India. The appointment of Dr. Anshul Arora as member Editorial Advisory Board strengthens the links and will make it easier for prospective authors to establish contact with the journal.
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List of articles published in the month of August 2017
Table of contents for the month of August 2017
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