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Oct 2020 DOI 10.14302/issn.2377-2549.jndc-20-3486
A. Awin Labib.Corresponding author
Department of Chemistry, Faculty of Science, University of Tripoli, Libya
Three members of the A- site doped Nb perovskites with general formula Sr3NbO5.5, BaSr2NbO5.5 and Ba2SrNbO5.5 were synthesised by solid-state methods and their removal efficiency of Methyl violet from aqueous solutions investigated. The X-ray diffraction measurements demonstrated that the three samples have a faced cubic perovskite-type structure in space group Fm m. The addition of Ba2+ into the A-site of Sr3NbO5.5 has influenced the cell volume, crystal size and density. Subsequently, the removal capacity was also impacted. The crystallite size of the oxides was determined to be less than 82 nm. The maximum removal capacities of Methyl violet are found to be 46.5, 13.1 and 8.0 mg/g using Ba2SrNbO5.5, BaSr2NbO5.5 and Sr3NbO5.5 respectively. The amounts of the dye adsorbed by the oxides have increased as the Ba2+ content increased. The removals of Methyl violet have positive relationship with pH, temperature and the mass of the oxides.
Oct 2022 DOI 10.14302/issn.2641-4538.jphi-22-4281
Nakachwa MariaCorresponding author
School of Post Graduate Studies and Research, Nkumba University, Entebbe 237, Uganda
Uganda still grapples with a high maternal mortality rates of 336 deaths per 100,000. Expectant mothers across the country lack awareness about the availability of antenatal care services; yet attendance of antenatal care services during pregnancy is crucial in protecting the health of women and unborn children. This article describes a protocol for investigating the effectiveness of mobile telephone communication interventions on the utilization of antenatal care services among expectant mothers in the districts of Kyotera and Rakai Districts in Uganda. Under the protocol, 28 health facilities in the districts of Kyotera and Rakai will be selected using simple random sampling and allocated into the intervention and control arms at a ratio of 1:1. A total of 2224 expectant mothers receiving antenatal care from the sampled health facilities will be recruited using systematic sampling. Expectant mothers receiving antenatal care from facilities allocated into the intervention arm will receive mobile telephone voice and text messages reminders for scheduled ANC visits. The mobile telephone messages will further provide maternal health information and availability of ANC services on a fortnightly basis. On the other hand, expectant mothers receiving antenatal care from facilities allocated into the control group will not get any reminders for scheduled ANC visit and maternal health information through the mobile telephone communication platform. Expectant mothers in the control arm will receive standard maternal health care without reminders. Expectant mothers in both groups will provide baseline data, midterm data will be obtained from the ANC registers at 6 moths while end of term data will be collected after an intervention period of 12months. The data collected will include the number of antenatal care visits attended, antenatal care services obtained from the health facilities, sociodemographic factors and mobile telephone usage, ownership and knowledge. The anticipated outcomes are; increased awareness and utilization of ANC services.
Jan 2022 DOI 10.14302/issn.2377-2549.jndc-21-3936
A. Awin Labib.Corresponding author
Chemistry Department, Faculty of Science, Tripoli University, Libya
Two samples of the defectdouble perovskites with general formula Sr2CaNbO5.5 and Sr2CaTaO5.5 were synthesized and their cap abilities in the removal of neutral red dye investigated. Both samples have faced cubic perovskite-type structure in space group Fm3m. The replacement of Nb5+ by Ta5+ has influenced both crystal size and density of the two oxides but showed no impact on the removal capacities. The crystallite size of Sr2CaNbO5.5 and Sr2CaTaO5.5 was determined to be 93.56 and 43.69 nm respectively. The maximum removal capacities of Neutral red are found to be 190.5 mg/g using both the two oxides. This result is consistent with the cell volumes which displayed similar values. The removal of Neutral Red has a negative relationship with temperature but steadily increases as pH increased.
Jan 2019 DOI 10.14302/issn.2641-4538.jphi-18-1973
Victoria NthalaCorresponding author
Introduction Adherence to ART is a challenge among pregnant women living with HIV/AIDS. This has an effect on the health of the mother and the unborn child. While studies have been done, it has shown that adherence during pregnancy is a challenge Virological and clinical success depend critically on high adherence to ART because with low adherence. The success of expanded ART coverage in improving health outcomes depends on adherence to treatment. During pregnancy, a compromised Virological response to ART also increases risk of mother-to-child transmission (MTCT) of HIV. This study was carried out to determine factors that influence adherence to antiretroviral therapy among HIV positive pregnant women in Lusaka district of Zambia. Methodology This was a qualitative study which used a case study approach. Data was collected through in-depth interviews. The collected data was analysed using a thematic analytical approach. Results 17 pregnant women living with HIV /AIDS in Lusaka had Challenges with adherence to ART. The study explored factors related to adherence to ART among pregnant women living with HIV/AIDS. ART adherence was found to be low. The findings call for the need to reduce on social stigma. The results confirmed that there is low adherence to ART among pregnant women living with HIV /AIDS in Lusaka. Conclusion Adherence to ART among pregnant women living with HIV/AIDS is a challenge for Zambian pregnant women. Improved levels of adherence to ART is hampered by fear of social stigma, and fear of being blamed by partners if they disclosed their status. Stigmatisation needs to be addressed because nearly all the participants expressed this factor. There is need to address the HIV/AIDS stigma very seriously in order for society to look at HIV/AIDS like any other illness.
Feb 2018 DOI 10.14302/issn.2377-2549.jndc-18-1933
Bharanidharan S.Corresponding author
Department of Physics, Bharath Institute of Higher Education and Research, Bharath University, Chennai-600 073, India
The organic molecule (E)-1-(4-bromobenzylidene)thiourea (BBTU) have been synthesized and characterized using FT-IR and FT-Raman spectral studies. The quantum chemical calculations of BBTU have been studied using DFT/B3LYP/6-31G(d,p) level of theory. The stable conformer is identified by the potential energy surface scan. The complete vibrational assignments were performed on the basis of PED analysis with the help of SQM method. NBO analysis was carried out to explore the various conjucative/hyperconjucative interactions within the molecule and their second order stabilization energy. The NLO activity of BBTU is calculated and compared with the standard Urea molecule. The energies of the FMOs are used for the determination of global reactivity descriptors. The electrophilic and nucleophilic charge sites were identified by the molecular electrostatic potential mapped surface. The molecular docking of BBTU is carried out with the receptors of 3U2D and 1JIJ to screen the bacterial activity.
Aug 2017 DOI 10.14302/issn.2377-2549.jndc-17-1645
Manivarman S.Corresponding author
Assistant Professor, Post Graduate and Research Department of Chemistry, Government Arts College, C-Mutlur, Chidambaram, Tamil Nadu, India.
The structure of the newly synthesized hydrazone derivative 2 - 6 – oxo - 2-thioxotetrahydropyrimidin – 4 1H - ylidene hydrazine carbothioamide (OTTHPYHCT)compound is determined by using spectral information and elemental study. Density functional theory (DFT) studies were performed using the B3LYP/6-31G (d, p) basis set to expand imminent into their structural properties. Frontier molecular orbital (FMO’s) analysis of title compoundwas computed at the same level of theory to get knowledge about their kinetic stability of the molecule by the energy gap value obtained. Global reactivity descriptors are determined to explain the biological activity of the molecule. NBO analysis provides information about charge transfer, delocalization effect, hyperconjugative interactions and the energy responsible for the stabilization of the compound. First hyperpolarizability analysis nonlinear optical response was simulated at the B3LYP/6-31G d, p level of theory as well. Thermodynamic parameters explain vibrational intensity of the molecule.
Apr 2017 DOI 10.14302/issn.2572-5424.jgm-17-1482
H Baslow MorrisCorresponding author
Center for Biomedical Imaging and Neuromodulation, Nathan Kline Institute for Psychiatric Research
Canavan disease (CD) is a globally occurring but rare human spongiform leukodystrophy that is associated with inborn errors affecting the activity of aspartoacylase (ASPA), an enzyme highly expressed in oligodendrocytes that hydrolyzes N-acetylaspartate (NAA). Lack of ASPA activity is associated with the inability of oligodendrocytes to build or maintain axon-enveloping myelin sheaths. The primary source of NAA in brain is neurons, cells that synthesize but cannot catabolize it. Neurons also synthesize N-acetylaspartylglutamate (NAAG) from NAA and glutamate but cannot catabolize this substance as well. For their metabolism, these substances are released to extracellular fluid and are metabolized by oligodendrocyte ASPA and astrocyte NAAG peptidase respectively. A hypothesis developed suggested that the cause of the leukodystrophy component in CD was due to release of NAAG by neurons at white matter nodes of Ranvier, its catabolism by astrocytes forming NAA and increased osmotic-hydrostatic pressure as a result of its buildup at these nodes due to the lack of ASPA activity. In this communication, we provide evidence supporting this hypothesis and comment on the cause and possible cure for human CD.
Apr 2017 DOI 10.14302/issn.2377-2549.jndc-17-1488
H.SaleemCorresponding author
Department of Physics, Annamalai University, Annamalainagar 608 002, Tamil Nadu, India
The compound 2-(4-methoxyphenyl)-2, 3-dihydro-1H-perimidine (MPDP) was synthesized. The molecular structure and its functional groups were characterized with the help of Fourier Transform Infrared: FTIR/ Fourier Transform FT-Raman spectra in the regions of 400-4000/50-4000cm-1, respectively. The geometrical parameters, harmonic vibrational wavenumbers, Infrared (IR) & Raman scattering intensities, Nuclear Magnetic Resonance (NMR) chemical shift and Ultraviolet-Visible (UV-Vis) spectra were computed using B3LYP/6-311++G(d,p) level of theory. The complete vibrational analysis were made on the basis of Potential energy distribution (PED) calculation with the help of VEDA4 programme. The Highest occupied molecular orbital (HOMO) – Lowest unoccupied molecular orbital (LUMO) energy gap and intra-molecular charge transfer (ICT) were studied using NBO analysis. The first order hyperpolarizability (β0) and other related properties (β, α0, Δα) of MPDP were computed. The molecular electrostatic potential (MEP), Mulliken atomic charges were calculated using the same level of theory. In addition, the various thermodynamic parameters were also calculated.
Apr 2016 DOI 10.14302/issn.2377-2549.jndc-16-949
Saleem H.Corresponding author
Department of Physics, Annamalai University, Annamalainagar-608 002, Tamil Nadu, India
Vibrational spectral analysis and first order hyperpolarizability calculations on (E)-N′-(furan-2- ylmethylene) nicotinohydrazide (F2CNH), a novel, organic, hydrozone Schiff base compound was synthesized and its structure was characterized by FT-IR, FT-Raman and UV-visible spectrum. The optimized molecular structure, vibrational frequencies and corresponding vibrational assignments of F2CNH were performed on the basis of TED analysis using SQM method. Natural boding orbital (NBO) assessment has been carried out to clarify the charge transfer or conjugative interaction and delocalization of electron density within the molecule. Electronic transitions were studied employing UV-visible spectrum and the observed values were compared with theoretical values. The first order hyperpolarizability and related properties of F2NH were calculated. Besides FMO’s MEP, mulliken atomic charge and various thermodynamic paramefress such as Zero-point energy, rotational constant and enthalpy were also calculated and analyzed.