Structures and vibrational frequencies of 2,3,6-trimethylphenol based on density functional theory calculations
The FT-IR and FT-Raman spectra of 2,3,6-trimethylphenol (236TMP) were recorded in the regions 4000-400 cm-1 and 4000-100 cm-1. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) and standard B3LYP/6-311+G** basis set combination. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field. The Infrared and Raman spectra were also predicted from the calculated intensities. Comparison of simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Unambiguous vibrational assignment of all the fundamentals was made using the total energy distribution (TED). Further, density functional theory (DFT) combined with quantum chemical calculations to determine the first-order hyperpolarizability. The calculated HOMO and LUMO energies shows that charge transfer occur within the molecule. Electronic excitation energies, oscillator strength and nature of the respective excited states were calculated by the closed-shell singlet calculation method were also calculated for the molecule.
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Students perception of the impact of guidance and counseling programmes on the satisfaction of vocational needs in selected Kenyan secondary schools
The need to have vocational guidance and counseling integrated into the secondary school curriculum has become more necessary in the modern times than it was several years ago. This could be so due to changing nature of job opportunities, job scarcity, explosion of knowledge and new technologies. Vocational Guidance and Counseling is offered to meet learners career needs, aspirations and job mobility. The objective of the study was to determine students’ perception of the impact of guidance and counseling programme on the satisfaction of vocational needs. The research study was guided by Gestalt theory of perception. The theory was appropriate because of the complex psychological backgrounds which informed the respondents perceptions. The target population for the study was all students drawn from secondary schools in North and South Rift Valley region of kenya. Four hundred and fifty students were selected through stratified random sampling from ten secondary schools. Self – developed questionnaires were used for data collection. Ex post facto research design was utilized for the study. The reliability of the instrument was SPQ = 0.893. Data analysis was done using descriptive statistics (frequencies, means) and inferential statistics (t – test and Anova). The statistical packages for social sciences (SPSS) used to test null hypothesis at 0.05 level of significance. The content validity was ascertain through expert judgement opinion. The findings indicated that the respondents perception on the impact of guidance and counseling on satisfaction of vocational needs was uncertain (neutral perception) which meant that the impact was not significant. Students were not convince that the guidance programme has had any effect on self-employment skills, learning about talents, career available outside Kenya and career mentoring. The Category of School (Mixed Boarding) was found significant in its influence on perception of students of on the impact of guidance and counseling on vocational needs while age, gender, school type and class levels was found insignificant. This paper recommends reviewing the vocational guidance programmes to be more practical and consumer friendly for it to be more appealing to learners in order to satisfy their career needs. The paper concludes with a suggestion that vocational guidance can be entrenched in the regular school curriculum for it to be more visible and creation of awareness on the value of vocational guidance and counseling.
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Studies of the x-ray shielding properties of some selected Ghanaian hardwoods species within the x-ray energies from 34 -150kv
The linear and mass attenuation coefficients have been estimated for four selected Ghanaian hardwood species namely Kroma (Klainedoxa gabonensis), Potrodom (Erythrophleum africanum), Dahoma (Piptadenia africana) and Odum (Milicia excelsa), using a selection of eight X-ray qualities with tube voltages ranging from 34 kV to 150 kV generated by a Philips MG324 Constant Potential X-ray Generator. For Kroma of average density, 1055.7 kg m-3, the mass attenuation coefficients range from 1.52 ± 0.05E-6 to 5.29 ± 0.05E-6 m2 kg-1. For Potrodom of average density, 1013.0 kg m-3, the mass attenuation coefficients range from 1.53 ± 0.05E-6 to 4.06 ± 0.05E-6 m2 kg-1. For Dahoma of average density, 785.5 kg m-3, the mass attenuation coefficients range from 1.35 ± 0.05E-6 to 3.94 ± 0.05E-6 m2 kg -1. For Odum of average density, 582.3 kg m-3, the mass attenuation coefficients range from 1.54 ± 0.05E-6 to 5.41 ± 0.05E-6 m2 kg -1. Experimental results show that for both high and medium filtered X-ray spectra, Kroma has the highest linear attenuation coefficient and is therefore, the most efficient attenuator, followed by Potrodom, Dahoma and then Odum. Half and tenth-value layers of Kroma and Potrodom have been found to be comparable to that of gypsum wallboard, a material of approximate density, 700 kg m-3 intermittently used for shielding against scatter radiation in some medical X-ray diagnostic facilities. Furthermore, X-ray attenuation characteristics of Kroma and Potrodom compare well with that of gypsum wallboard, thereby rendering it a suitable alternative shielding material that could be considered in low-level X-ray applications such as in dentistry and mammography in Ghana.
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Studies on structures, vibrational frequencies of 3-amino-2-bromo pyridine based on density functional theory calculations
The FT-IR and FT-Raman spectra of 3-amino-2-bromo pyridine(ABP) were recorded in the regions 4000-400 cm-1 and 4000-100 cm-1. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) and standard B3LYP/6-311+G** basis set combination. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field. The Infrared and Raman spectra were also predicted from the calculated intensities. Comparison of simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Unambiguous vibrational assignment of all the fundamentals was made using the total energy distribution (TED).
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Study on genetic variation and selection against tolerance to terminal drought stress in bread wheat genotypes using stress susceptibility and tolerance indices aimed at improving grain yield
One of the most important wheat breeding strategies under Mediterranean climate is to achieve genotypes that are potentially capable of producing desirable yield while encountering water limitation during their flowering stage. With the aim to investigate such an important issue, we planted 12 bread wheat genotypes in research farm of Islamic Azad University, Ardabil Branch, as randomized complete blocks design (RCBD), during 2008-09 cropping year. This section of the study addresses traits such as plant height, day’s number to heading, days number to anthesis, fertile tiller number, spike length, spike weight, grain number per spike, grain weight per spike, 1000 grain weight and grain yield. Estimating the phenotypic and genotypic coefficient for various traits revealed that the studied genotypes were genetically more variable in terms of traits such as plant height, spike length, grain number per spike and grain weight per spike, 1000 grain weight and days to heading than in terms of other traits. Cluster analysis divided the studied genotypes into two categories. Mean of square between the categories was significant for all traits except for grain yield, spike length and date of heading. The inheritability of yield components was higher than that of grain yield.
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Sustainable Gender Based and Inclusive Human Resource Development among Persons with Disability. A Case of Machakos and Kakamega Counties in Kenya
In most African countries, it is exceedingly difficult to make the transition from youth to adulthood. Some people have attributed this to the hard economic times facing governments. Others have pointed it to the inadequate systems of education where as the rest blame it to poor planning. Statistics has it that most of the people after secondary level of education would wish to go to university. However, due to our filtering system, the smallest group makes it to this level. Those who don’t achieve the marks required join training colleges. There is still a 3rd group, which is unfortunately the largest, who still do not attain the mark to warrant them a place to these training colleges. Technical institutes were created to cater for the 3rd group. The technical institutions train on different skills which an individual could get employment in the informal sector. While some choose to be self employed, others are employed by people who have established themselves with enterprises which specialize in that particular trade. Machakos and Kakamega counties have been blessed by hosting a number of universities and upgrading technical institutes to university colleges. However, technical institutes are scarce and cannot comfortably cater for the 3rd group for as indicated earlier; it is the largest in numbers. In this 3rd group, there is a particular category called persons with disabilities. There is a strong temptation to write off what is strongly referred to as “a lost generation”. The question is, will we sit and watch as the so called “the lost generation” is written off? This paper seeks to show that the challenged have something to prove and given the opportunity they can assert themselves. An inclusive institute is what we are proposing. Inadequate educational system combined with the challenges of PWDs in job placement poses a challenge in acquiring financial security thereby hampering the transition from youth to adulthood. In the African setting, one is considered to be an adult when he/she is independent. This is not the case with persons with disabilities for in most cases they are considered as dependants. Some challenged youth gain technical training in the few special vocational training institutes but cannot compete with their peers. More often than not, their path is blocked because they are seen as liabilities. The idea of a sheltered workshop proposed in this paper seeks to address the informal sector for persons with disabilities. This will involve both vocational training on different skills together with placement and a full workshop where there will be immediate employment for individuals who graduate from the trainings. This initiative is aimed at improving job skills and awareness and possibly coming up with a show room where the finished products could be exhibited for the purpose of marketing. This project will focus on educating and socializing the people with special needs to play a role in the county’s development and growth. The paper proposes a sustainable, gender based and inclusive human resource development initiative.
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Synthesis, Characterization of Nickel Oxide Nanoparticles and Effect of Solution Temperature
Nickel oxide nanoparticles were synthesized by co-precipitation method at different solution temperatures 37?C,50? C and 70?C and calcined at 700?C.The crystalline structure of NiO NPs were studied by X-ray diffractometer ( XRD).The results confirmed the cubic structure of Nickel oxide nanoparticles and the solution temperature has no effect on crystal structure .The optical properties of the NiO samples were characterized by FT-IR,UV-VIS and PL and the morphology by scanning electron microscopy. Cyclic voltammetry characterization was carried out to study the qualitative information about the potentials at which electrochemical reactions occur.
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Synthesis, magnetic and spectral studies on polystyrene-anchored coordination complexes of bi-, tri-, tetra- and hexavalent metal ions with unsymmetrical dibasic tetradentate onno donor schiff base derived from 3-formylsalicylic acid, ethylenediamine and 2-hydroxy-1-naphthaldehyde
Polystyrene-anchored Cu(II), Zn(II), Cd(II), Ni(II), Mn(II), MoO2(II), UO2(II), Fe(III) and Zr(IV), complexes of unsymmetrical dibasic tetradentate ONNO donor Schiff base derived from the condensation of chloromethylated polystyrene, 3-formylsalicylic acid, ethylenediamine and 2-hydroxy-1-naphthaldehyde (PS–LH2) have been synthesized. The polystyrene anchored complexes have the formulae: PS–LM (where M = Cu, Zn, Cd, Ni, MoO2, UO2), PS–LFeCl×DMF, PS–LMn×2DMF and PS–LZr(OH)2×DMF. The polystyrene-anchored coordination compounds have been characterized by elemental analysis, IR, reflectance, ESR and magnetic susceptibility measurements. The per cent reaction conversion of polystyrene anchored Schiff base to polystyrene supported coordination compounds lies between 24.0–77.9. The coordinated dimethylformamide is completely lost on heating the complexes. The shifts of the n(C=N)(azomethine) and n(C–O)(phenolic) stretches have been monitored in order to find out the donor sites of the ligands. The Cu(II) complex is paramagnetic with square planar structure; the Ni(II) complex is diamagnetic with square planar structure; the Zn(II) and Cd(II) complexes are diamagnetic and have tetrahedral structure; the Mn(II) and Fe(III) complexes are paramagnetic and have octahedral structure; the MoO2(II) and UO2(II) complexes are diamagnetic and have octahedral structure and the Zr(IV) complex is diamagnetic and has pentagonal bipyramidal structure.
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A 10 Year Clinical Auditing Of Cesaren Section Performance In El-Minia Maternity University Hospital
Background: The caesarean section rate has increased all over the world for the past 3 decades. This has now become an issue of intemational public health concern. Obstetric intervention would have the risks to both the mother and baby.There is no clinical evidence justified caesarean section lead to better outcomes. Methods: The main objective of this clinical audit was to test if maternal and neonatal outcomes improved with increase in caesarean section rate. An observational retrospective study was carried out in our university hospital from January 2004 till January 2014.Data were collected from registered files at the department of gynecology and obstetrics in El-Minia University Hospital from January 2004 to January 2014. Data included personal history (age, residence), medical history, obstetric history (antenatal care, number of pregnancies, number of labor) operative details and suspected cause of death. In situations where these data were deficient, verbal autopsy was done through interview with patient relatives or phoning them. Results: There was a significant increase in caesarean section rate from 18.4% in 2004 to 23.6% in 2014. Failure of progress and fetal distress were the primary indications for emergency caesarean section, while previous caesarean birth, maipresentation and maternal request were common reasons for elective caesarean section. Both maternal request and repeat caesarean section were significantly increased across 10- year study period. Advanced maternal age was indicated as a contributing factor for caesarean section.Maternal blood loss was significantly higher in women with caesarean section than normal vaginal delivery and assisted delivery. More obstetric perineal trauma was found in women with normal vaginal births.Subgroups of gestational age less than 33 weeks and birth weight 1 toI .5kg had the highest caesarean section rate. Newborns delivered by caesarean section had lower Apgar score i minute after birth than those by normal vaginal delivery. Higher rate of admission to neonatal intensive care unit was found in newborns delivered by caesarean section. More serious birth trauma occurred in newborns by instrumental delivery. Conclusion: caesarean section rate is significantly increased in those with previous history of caesarean section (11.16%).The main indications were done in primiparas and fetal distress. A 4.02% decrease was found in sections done for fetal distress. Key words: caesarean section, maternal outcome, fetal outcome
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A survey of security requirement issues in e-healthcare applications using wireless mobile sensor networks
The e-healthcare applications are considered as a promising field in wireless sensor networks, where patients can be monitored using wireless medical sensor networks (WMSN). Recent research in WMSN healthcare is focused on patient reliable communication, patient mobility, and energy-efficient routing. Deploying new technologies in healthcare applications without considering security makes patient privacy vulnerable. Security is a paramount requirement of healthcare applications, especially in the case of patient privacy, if the patient has an embarrassing disease. This paper will discuss on various security mechanism, privacy issues and requirement of e-healthcare applications.
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