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The molecular vibrations of 2-bromo-4,6-dinitroaniline (BDNA) were investigated in solid phase, at room temperature by FT-IR and FT-Raman spectroscopy. The molecular geometry and vibrational frequencies of BDNA in the ground state were calculated by using the Hartree-Fock (HF) and density functional theory (DFT) methods (B3LYP) with 6-311++G** as basis set. Comparison of the observed fundamental vibrational frequencies of BDNA with calculated results by HF and density functional methods indicates that B3LYP is superior to HF method for molecular vibrational problems. The Mulliken atomic charges have also been computed at HF/6-311++G** and B3LYP/6-311++G** level. Finally the calculated HOMO and LUMO energies show that charge transfer occur in the molecule.

The understanding of optimized molecular geometry, vibrational analysis of the heterocyclic organic compounds plays a vital role in the process of drug discovery. The present work provides geometrical parameters, vibrational assignments for pharmaceutical intermediate 3-hydroxynaphthalene-2-carboxylicacid (3HN2CA). Moreover, the present study aims to illustrate how intermolecular interactions appear within the molecule on account of HOMO-LUMO studies. In addition to these, Mullikan’s Atomic charges associated with each atom are also reported. Entire vibrational, geometrical parameters, Mullikan’s Atomic charges and HOMO-LUMO Energy gap of 3HN2CA were predicted with the aid of B3LYP level of theory with cc/PVDZ and 6-31+G(d) basis sets on a quantum chemical software Gaussian 09W. In view of visual inspection, 60 normal modes of vibrations contributed to 3HN2CA were found out. Furthermore, the molecular orbital calculations such as natural bond orbital’s (NBOs) and Mapped molecular electrostatic potential (MEP) surfaces were also performed with the same level of DFT. The thermal flexibility of molecule in associated with vibrational temperature was also illustrated on the basis of correlation graphs. The detailed interpretation of the vibrational spectra has been carried out with the aid of potential energy distribution (PED) results obtained quantum chemical calculations. The delocalization of electron density of various constituents of the molecule has been discussed with the aid of NBO analysis.

The objective of this work was to make an agronomic evaluation and morphological characterization of 4 varieties of upland rice (Lioto, Liboga, Lienge and Nerica7) and 1 traditional variety (Kitombe) in the ecological conditions of Kisangani.To achieve this objective, two trials were conducted at Kisangani in a randomized complete block device with 4 repetions and 5 treatments (varieties). The Qualitative traits were evaluated by using the Standard Evaluation System for Rice (SES). Quantitative trait analysis showed the statistical difference between varieties (p<0.05), ranging from 145±10 to 119±13 for total spikelets/panicle, from 215±6.5 to 318±31.5 for panicle/m2 and 112±5 to 143±6 for spikelets filled/panicle. Among the qualitative points common to all 5 varieties we found the ligule shape, shape and panicle habit. All varieties have a pointed ligule with two slits, panicle with secondary branches and drooping port.We had identified the proportion of teeth on the leaf Leaf blade as a new distinguishing feature of rice varieties. The variety Kitombe and Nerica7 have a denticulation on 2/3 of the Leaf blade length against 1/3 for the other varieties 

This paper presents effective method and to determine optimal machining parameters in a turning operation on annealed Beryllium copper alloy to enhance the metal removal rate and minimize the surface roughness. The scope of this work is extended to Multi objective optimization. Response Surface Methodology is opted for preparing the design matrix. Artificial Neural Networks are used to train and validate the data prepared through experimentations. Multi Objective Genetic Algorithm is used for optimization of the performance measures of the process. A powerful model would be obtained with high accuracy to analyse the effect of each parameter on the output. The input parameters considered in this work are cutting speed, feed and depth of cut.

The activity concentrations of natural occurring radionuclides, uranium (²³⁸U), thorium (²³²Th), radium (²²⁶Ra) and potassium (⁴⁰K) were measured in geological samples collected from the Accra Plains using a high resolution hyper pure germanium (HPGe) detector. Their radiological parameters were also calculated. ²³⁸U concentration was found to vary from below detection limit to 363.5 Bq/kg. Activity concentration of ²³²Th varied from below detection limit to 370.41 Bq/kg. The activity concentration of ²²⁶Ra ranged from 4.04 Bq/kg to 295.01Bq/kg, whereas, the ⁴⁰K activity concentration varied from 145 Bq/kg to 2274.3 Bq/kg. The absorbed dose rates varied from 18.27 to 479.26 nGy/h. The annual external effective dose rates ranged from 0.02 to 0.51 mSv/y. The radium equivalent activity (Raeq) varied from 29.15 to 986.42 Bq/kg. Value of external hazard index (Hex) varied from 0.11 to 2.66. Good correlations existed between ²³²Th and ²²⁶Ra activity concentrations and the total activity concentration. The Th/U ratios obtained indicated metasomatic activity of the analyzed radionuclides. The gamma ray radiation hazards due to the radionuclides increased with depth. 

Legendre and Chebyshev collocation methods are presented to solve numerically the voltterra-fredholm integral equations with exponential kernel. We transform the Volterra Fredholm integral equations to a system of Fredholm integral equations of the second kind,a system Fredholm integral equation with exponential kernel is obtained and will be solved using Legendre and Chebyshev polynomials.This lead to a system of algebraic equations with Legendre or Chebychev coeffcients. Thus,by solving the matrix equation,Legendre and Chebychev coeffcients are obtained.A numerical example is included to certify the validity and applicability of the proposed technique.

Asynchronous Transfer Mode (ATM) is a connection-oriented packet switching technique that is universally accepted as the transfer mode of choice for Broadband Integrated Services Digital Network. The Quality of Service (QoS) capabilities of ATM is one of its major strength. In this paper we have explore some of the technological challenges and issues which plays important role in the security of ATM networks.

In order to develop a superior formulation for skin decontamination of 99mTc-pertechnetate (a potential radiocontaminant), a topical gel formulation containing disodium edetate was optimized by using 2-factor, 3-level central composite design. Polymer concentration (A) and disodium edetate concentration (B) were selected as the independent variables and the dependent variables were selected as viscosity (Y1), spreadability (Y2) and extrudability (Y3) of the gel. The viscosity of the gel was found to decrease proportionally with spreadability and extrudability, whereas the spreadability was increased proportionally with extrudability. Validation of the optimization study with 13 confirmatory runs indicated a high degree of predictive ability of response surface methodology (RSM). The optimized formulations were evaluated for drug content, in vitro, in vivo, ex vivo and skin irritation studies. The in vitro evaluation of the topical gel efficacy study confirmed the good chelation efficacy of disodium edetate molecules with 99mTc-pertechnetate ions. The ex vivo diffusion kinetics study demonstrated that the permeation rate of 99mTc-pertechnetate through intact skin was decreased to 83.68% after immediate application of disodium edetate gel. In vivo studies demonstrated that the application of topical gel is effective in external decontamination of 99mTc-pertecnetate from male Sprague-Dawley rats. The optimized gels did not produce any dermatological reactions on rats. All the results of the study revealed that disodium edetate loaded topical gel is a promising formulation for the external decontamination of radioactive agents.

The term ‘organizational justice’ refers to the extent to which employees perceive workplace procedures, interactions and outcomes to be fair in nature. These perceptions can influence attitudes and behaviour for good or ill, in turn having a positive or negative impact on employee performance and the organization’s success. The principles of organizational justice are not, on the whole, complex to apply and may be considered more in the vein of ‘sound managerial practice’ than ‘social technology’. While some interventions may be less successful on some occasions or in particular contexts, none is likely to be harmful, and at the very least they will promote a sense that the organization is concerned about fairness. When implemented well, they can make a significant contribution to improving performance, enhancing commitment, and preserving dignity and humaneness.

There is widespread concern that the cumulative effects of the non-response that is bound to affect any long-running longitudinal study will lead to mistaken inferences about change. We focused this work on the Longitudinal Survey of Oyo town covering the existing fifteen (15) Enumeration Areas to show the patterns of response and non-response. The Surveys started in 2008 and a two-stage stratified random sampling scheme was used in selecting 750 households. Household heads were interviewed in five waves (waves 1, 2, 3, 4 and 5). We used an interviewer-administered questionnaire to collect data on the demographic characteristics of the respondents. The Response rates for waves 1 through 5 were 77.86%, 82%, 81.33%, 82% and 80.67% respectively while the non-response rates were 22.14%, 18%, 18.67%, 18%, and 19.33% respectively. The average number of visit ranges from a minimum of 1.2 in Kosobo to a maximum of 4 in Ladigbolu. The average duration of the household interview ranges between a minimum of 7.7 minutes in Monbolaje and a maximum of 18 minutes in Asipa. Finally, fieldwork lasts on average of 11.8 hour in Asipa, but only 6.6 hours in Monbolaje. The most common interview mode is the Pencil-And-Paper (face-to-face) Interview. New entry is linked to eligibility, whereas monotone attrition is mainly due to migration. Occasional responses are due to absences while that of non-responses are due to out of scope and lack of cooperation.