Displaying publications 101 - 120 of 275 in total

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  1. Fathul Karim Sahrani, Zaharah Ibrahim, Madzlan Aziz, Adibah Yahya
    Corrosion caused by sulphate-reducing bacteria (SRB) isolated from seawater nearby to Pasir Gudang has been studied. The test coupon was a AISI 304 stainless steel. Potential and corrosion rate measurements were carried out in various types of culturing solutions, with SRB1, SRB2, combination of SRB1 & SRB2 and without SRBs inoculated (sterilized). From Tafel plots a higher corrosion rate has been found in medium inoculated with SRBs than that of the sterilized medium (control). When SRBs were present in the medium, the Tafel plot shifted towards more negative values (Ecorr was shifted to much less anodic values) and increase in current density compared to that of the sterilized medium (control). Localized corrosion was observed on the metal surface, and it was associated to the SRB activity. X-ray analysis (EDAX) showed that the corrosion product has higher content of sulphur for medium containing SRBs than that of the sterilized medium. X-Ray Diffraction analysis carried out on corrosion products which showed the presence of iron sulphide. This indicates the influence of the presence of SRB in corrosion process.
    Matched MeSH terms: X-Rays
  2. Anwar N, Kassim A, Lim H, Zakarya S, Huang N
    Sains Malaysiana, 2010;39:261-265.
    Titanium dioxide nanoparticles were synthesized via low-temperature sucrose ester micelle-mediated hydrothermal processing route using titanium isopropoxide as the precursor. X-ray diffractometer revealed that the samples possessed a mixed crystalline phases consisting of anatase and brookite in which anatase was the main phase. Upon increasing the hydrothermal reaction temperature, the degree of crystallinity of the nanoparticles improved and their morphology transformed from bundles of needles to rods and to spheres. Photocatalytic behaviour of the as-synthesized nanoparticles was investigated by photodegradation of methylene blue solution in an ultraviolet A irradiating photoreactor. The as-synthesized nanoparticles exhibited higher photocatalytic performance as compared to the commercial counterpart.
    Matched MeSH terms: X-Rays
  3. Siew PF, Wan Yusmawati Wan Yusoff, Azman Jalar
    Sains Malaysiana, 2014;43:827-832.
    The physical properties and structural stability of the Quad Flat No-Leads (QFN) package with different gamma radiation doses have been investigated. The packages were irradiated with Co-60 gamma radiation with varying doses of 5 Gy, 50 Gy, 500 Gy, 5 kGy and 50 kGy with operating dose of 2.54 kGylh at room temperature. The infinite focus microscope (IFM) was used to measure the dimensional change and slantinglwarpage behaviour, while the 3D CT Scan X-ray machine was used to determine the occurrence of deflection on a wire in package due to exposure. It is believed that radiation effect on ceramic filler in the epoxy mold compound (EMC) plays an important role to induce the defects and resulted in swelling of the package. The slantinglwarpage behaviour is believed to be caused by the swelling behaviour of ceramic filler and further induced structural stability. The induced stress on the EMC structural after the dimensional change and slantinglwarpage failure leads to the occurrence of wire sweep. The finding suggests that defect production in swelled ceramic filler leads to the occurrence of dimensional and structure instability.
    Matched MeSH terms: X-Rays
  4. Fathul Karim Sahrani, Zaharah Ibrahim, Adibah Yahya, Madzlan Aziz
    Sulphate-reducing bacteria (SRB), implicated in microbiologically influenced corrosion were isolated from the deep subsurface at the vicinity of Pasir Gudang, Johor, Malaysia. Electrochemical impedance spectroscopic (EIS) study was carried out to determine the polarization resistance in various types of culturing solutions, with SRB1, SRB2, combination of SRB1 and SRB2 and without SRBs inoculated (control). EIS results showed that in the presence of SRB1, SRB2 and mixed culture SRB1 and SRB2, polarisation resistance values were 7170, 6370 and 7190 ohms respectively compared to that of control, 92400 ohm. X-ray analysis (EDS) of the specimens indicated high sulphur content in the medium containing SRBs. Localized corrosion was observed on the metal surface which was associated with the SRB activity.
    Matched MeSH terms: X-Rays
  5. Nur Sha'dah Z, Iskandar S, Azhar A, Suhaimi M, Nur Lina R, Halimah M
    Sains Malaysiana, 2014;43:953-958.
    The effects of the X-ray irradiation and chemical etching on the physical and optical properties of cR-39 plastic detectors were investigated for different doses of X-ray. cR-39 detectors were etched in the solution of the 3 M of NaOH after irradiation for revelations of the track. The tracks formed on cR-39 either by irradiated X-ray or due to the effect of environment. The changes in the thickness after exposed have significant decrease in 60 kVp and started to increase in the range of 70 kVp up to 100 kVp due to the formation of oxidation layer on surface by free radicals. The optical band gaps before etching and after etching were determined by using Ultraviolet-visible (uv-Vis) spectroscopy. The optical band gap is attributed to the indirect transition due to its amorphous nature which is significantly decline trend energy in increase of the energy fluence of radiation. The Urbach's energy, is defined as the width of the tail localized states in the forbidden band gap which change increment trend as increase in dose delivered due to the distortion structure of the cR-39 in terms of the electron charges in valences electron hence attributes to the induced modification of angle bond between the neighboring atoms.
    Matched MeSH terms: X-Rays
  6. Razali MH, Ismail NA, Osman UM, Rozaini MZH, Yusoff M
    Data Brief, 2020 Feb;28:104992.
    PMID: 31890823 DOI: 10.1016/j.dib.2019.104992
    Titanate compounds was synthesized using hydrothermal method at various temperature (100, 150, 200, and 250 °C) for 24 hours. As-synthesized titanate was characterized using FTIR, XRD and nitrogen gas adsorption. FTIR spectra was scanned from 4000 to 400 cm-1 using Perkin Elmer Spectrum 100 FTIR spectrophotometer. XRD diffractogram was performed by using Rigaku Miniflex (II) X-ray diffractometer operating at a scanning rate of 2.00° min-1. The diffraction spectra were recorded at the diffraction angle, 2θ from 10° to 80° at room temperature. Nitrogen gas adsorption analysis was studied by using Micromeritics ASAP2020 (Alaska) to determine the surface area and pores size distribution. The nitrogen adsorption and desorption was measured at 77 K (temperature of liquid nitrogen) and the samples were degassed in a vacuum at 110 °C under nitrogen flow for overnight prior to analysis.
    Matched MeSH terms: X-Rays
  7. Azimi EA, Abdullah MMAB, Vizureanu P, Salleh MAAM, Sandu AV, Chaiprapa J, et al.
    Materials (Basel), 2020 Feb 24;13(4).
    PMID: 32102345 DOI: 10.3390/ma13041015
    A geopolymer has been reckoned as a rising technology with huge potential for application across the globe. Dolomite refers to a material that can be used raw in producing geopolymers. Nevertheless, dolomite has slow strength development due to its low reactivity as a geopolymer. In this study, dolomite/fly ash (DFA) geopolymer composites were produced with dolomite, fly ash, sodium hydroxide, and liquid sodium silicate. A compression test was carried out on DFA geopolymers to determine the strength of the composite, while a synchrotron Micro-Xray Fluorescence (Micro-XRF) test was performed to assess the elemental distribution in the geopolymer composite. The temperature applied in this study generated promising properties of DFA geopolymers, especially in strength, which displayed increments up to 74.48 MPa as the optimum value. Heat seemed to enhance the strength development of DFA geopolymer composites. The elemental distribution analysis revealed exceptional outcomes for the composites, particularly exposure up to 400 °C, which signified the homogeneity of the DFA composites. Temperatures exceeding 400 °C accelerated the strength development, thus increasing the strength of the DFA composites. This appears to be unique because the strength of ordinary Portland Cement (OPC) and other geopolymers composed of other raw materials is typically either maintained or decreases due to increased heat.
    Matched MeSH terms: X-Rays
  8. Abdul Khalil HPS, Md. Sohrab Hossain, Nur Amiranajwa AS, Nurul Fazita MR, Mohamad Haafiz MK, Suraya N, et al.
    Sains Malaysiana, 2016;45:833-839.
    This present study was conducted to produce defatted oil palm shell (OPS) nanoparticles. Wherein, the OPS nanoparticles
    were defatted by solvent extraction method. Several analytical methods including transmission electron microscope (TEM),
    X-ray diffraction (XRD), particle size analyzer, scanning electron microscope (SEM), SEM energy dispersive X-ray (SEM-EDX)
    and thermal gravimetric analyzer (TGA) were used to characterize the untreated and defatted OPS nanoparticles. It was
    found that 75.3% OPS particles were converted into nanoparticles during ball milling. The obtained OPS nanoparticles had
    smaller surface area with angular, irregular and crushed shapes under SEM view. The defatted OPS nanoparticles did not
    show any agglomeration during TEM observation. However, the untreated OPS nanoparticles had higher decomposition
    temperature as compared to the defatted OPS nanoparticles. Based on the characterization results of the OPS nanoparticles,
    it is evident that the defatted OPS nanoparticles has the potentiality to be used as filler in biocomposites
    Matched MeSH terms: X-Rays
  9. Atiya AS, Anuar Zaini MZ, Khairul Anuar A
    JUMMEC, 1998;3:64-65.
    A pilot study on 250 foreign workers was undertaken during a 7-month period beginning December 1996. The sample of subjects mainly males (88.8%) was selected on a non-probability basis from two sources i.e. from University of Malaya (72.8%) and PEREMBA group (27.2%). The study was a clinic-based and a face-to-face interview was carried out to elicit information on social, demographic, environmental, medical and recent illness using a structured questionnaire. Physical examinations were also performed on the same day of the interview. Subjects were also required to give their stool, venous blood, and urine specimens for microbiological, parasitological and clinical laboratory investigations. Chest X-Rays was done on ail subjects. The other investigators had already reported findings on the various specific areas of the study. In this part of the report attempt was made to relate the infectious diseases to some of the socio-environtnental variables on the 112 Indonesian, 133 Bangladeshi workers. Some aspects of health seeking behaviour of these foreign workers were also presented. Most of the Indonesian workers (84%) were from Jawa Timua and Jambi, Sumatra, while majority of the Bangladeshis (67.7%) were from two neighboring administrative districts of Dhaka and Chittagong. Majorities of the Indonesians (50.0%) were working in service industry, while 53.5% Bangladeshis were in the manufacturing. One-fifth of the workers lived in squatter areas, and nearly half of them were working for the service industry. About 70% of the workers had at least one infection. The proportion was slightly higher among the Indonesians (72.3%) compared to the Bangladeshis (67.7%). It is of interest to point out that 40.0% had multiple infections. Thirteen had five or more infections (details for the two of the 13 cases are presented as case studies). However, the findings did not indicate any association between sanitation and infections. Risk for transmission was developed based on the number of infections in the person. The Indonesian workers carried a higher risk of transmitting the diseases (33.9%) compared to 19.5% among the Bangladeshi workers. Those working in the construction industry were at a higher risk of transmitting the diseases compared to other industries. Slightly more than half of the workers experienced some form of minor illness or injury during the two-week period preceding the interview. Majority sought private care (43.1%), while 42.3% either self-medicate or did nothing al all. Nearly two-thirds paid out of their own pocket. Among the employers, construction sector made negligible contribution (2.9%) to the payment. It is interesting to find that 41.0% of the workers took some form of health suppletnents, and majority (48.4%) got it from the phartnacy or traditional sources. Nearly all (88.5%) paid on their own for the health supplements. The findings from this pilot project need to be interpreted with solne caution. However, it appears that the foreign workers carry sizeable anlount of health problems. If these are not addressed quickly it may eudanger the health of a nation, while we readily acknowledge their contribution towards our national development.
    Matched MeSH terms: X-Rays
  10. Bradley DA, Nawi SNM, Khandaker MU, Almugren KS, Sani SFA
    Appl Radiat Isot, 2020 Jul;161:109168.
    PMID: 32321700 DOI: 10.1016/j.apradiso.2020.109168
    Present work concerns polymer pencil-lead graphite (PPLG) and the potential use of these in elucidating irradiation-driven structural alterations. The study provides detailed analysis of radiation-induced structural interaction changes and the associated luminescence that originates from the energy absorption. Thermally stimulated emission from the different occupied defect energy levels reflects the received radiation dose, different for the different diameter PPLGs. The PPLG samples have been exposed to photon irradiation, specifically x-ray doses ranging from 1 to 10 Gy, extended to 30-200 Gy through use of a60Co gamma-ray source. Trapping parameters such as order of kinetics, activation energy and frequency factor are estimated using Chen's peak-shape method for a fixed-dose of 30 Gy. X-ray diffractometry was used to characterize the crystal structure of the PPLG, the aim being to identify the degree of structural order, atomic spacing and lattice constants of the various irradiated PPLG samples. The mean atomic spacing and degree of structural order for the different diameter PPLG are found to be 0.3332 nm and 26.6° respectively. Photoluminescence spectra from PPLG arising from diode laser excitation at 532 nm consist of two adjacent peaks, 602 nm (absorption) and 1074 nm (emission), with mean energy band gap values within the range 1.113-1.133 eV.
    Matched MeSH terms: X-Rays
  11. Nazarpour F, Abdullah DK, Abdullah N, Zamiri R
    Materials (Basel), 2013 May 15;6(5):2059-2073.
    PMID: 28809260 DOI: 10.3390/ma6052059
    e effects of biological pretreatment on the rubberwood (Hevea brasiliensis), was evaluated after cultivation of white rot fungi Ceriporiopsis subvermispora, Trametes versicolor, and a mixed culture of C. subvermispora and T. versicolor. The analysis of chemical compositions indicated that C. subvermispora had greater selectivity for lignin degradation with the highest lignin and hemicellulose loss at 45.06% and 42.08%, respectively, and lowest cellulose loss (9.50%) after 90 days among the tested samples. X-ray analysis showed that pretreated samples had a higher crystallinity than untreated samples. The sample pretreated by C. subvermispora presented the highest crystallinity of all the samples which might be caused by the selective degradation of amorphous components. Fourier transform infrared (FT-IR) spectroscopy demonstrated that the content of lignin and hemicellulose decreased during the biological pretreatment process. A study on hydrolysis of rubberwood treated with C. subvermispora, T. versicolor, and mixed culture for 90 days resulted in an increased sugar yield of about 27.67%, 16.23%, and 14.20%, respectively, as compared with untreated rubberwood (2.88%). The results obtained demonstrate that rubberwood is a potential raw material for industrial applications and white rot fungus C. subevermispora provides an effective method for improving the enzymatic hydrolysis of rubberwood.
    Matched MeSH terms: X-Rays
  12. Almugren KS, Sani SFA, Wandira R, Wahib N, Rozaila ZS, Khandaker MU, et al.
    Appl Radiat Isot, 2019 Sep;151:102-110.
    PMID: 31163392 DOI: 10.1016/j.apradiso.2019.04.027
    Present research concerns the TL signal stored in chalk of the variety commercially available for writing on blackboards. Samples of this have been subjected to x-ray irradiation, the key dosimetric parameters investigated including dose and energy response, sensitivity, fading and glow curve analysis. Three types of chalk have been investigated, each in five different colours. The samples were annealed at 323 K prior to irradiation. For all three chalk types and all five colours, the dose response has been found linear over the investigated dose range, 0-9 Gy. Regardless of type or colour, photoelectric energy dependency is apparent at the low energy end down to the lowest investigated accelerating potential of 30 kV. Crayola (Yellow) has shown the greatest TL sensitivity, thus selection has been made to limit further analysis to this medium alone, specifically in respect of glow curve and fading study. In addition, elemental compositional and structural change characterizations were made for the same medium, utilizing Energy Dispersive X-Ray (EDX) and Raman spectroscopy, respectively.
    Matched MeSH terms: X-Rays*
  13. Low SS, Tan MT, Loh HS, Khiew PS, Chiu WS
    Anal Chim Acta, 2016 Jan 15;903:131-41.
    PMID: 26709306 DOI: 10.1016/j.aca.2015.11.006
    Graphene/zinc oxide nanocomposite was synthesised via a facile, green and efficient approach consisted of novel liquid phase exfoliation and solvothermal growth for sensing application. Highly pristine graphene was synthesised through mild sonication treatment of graphite in a mixture of ethanol and water at an optimum ratio. The X-ray diffractometry (XRD) affirmed the hydrothermal growth of pure zinc oxide nanoparticles from zinc nitrate hexahydrate precursor. The as-prepared graphene/zinc oxide (G/ZnO) nanocomposite was characterised comprehensively to evaluate its morphology, crystallinity, composition and purity. All results clearly indicate that zinc oxide particles were homogenously distributed on graphene sheets, without any severe aggregation. The electrochemical performance of graphene/zinc oxide nanocomposite-modified screen-printed carbon electrode (SPCE) was evaluated using cyclic voltammetry (CV) and amperometry analysis. The resulting electrode exhibited excellent electrocatalytic activity towards the reduction of hydrogen peroxide (H2O2) in a linear range of 1-15 mM with a correlation coefficient of 0.9977. The sensitivity of the graphene/zinc oxide nanocomposite-modified hydrogen peroxide sensor was 3.2580 μAmM(-1) with a limit of detection of 7.4357 μM. An electrochemical DNA sensor platform was then fabricated for the detection of Avian Influenza H5 gene based on graphene/zinc oxide nanocomposite. The results obtained from amperometry study indicate that the graphene/zinc oxide nanocomposite-enhanced electrochemical DNA biosensor is significantly more sensitive (P 
    Matched MeSH terms: X-Rays
  14. Azman NZ, Siddiqui SA, Low IM
    Mater Sci Eng C Mater Biol Appl, 2013 Dec 1;33(8):4952-7.
    PMID: 24094209 DOI: 10.1016/j.msec.2013.08.023
    Characteristics of X-ray transmissions were investigated for epoxy composites filled with 2-10 vol% WO3 loadings using synchrotron X-ray absorption spectroscopy (XAS) at 10-40 keV. The results obtained were used to determine the equivalent X-ray energies for the operating X-ray tube voltages of mammography and radiology machines. The results confirmed the superior attenuation ability of nano-sized WO3-epoxy composites in the energy range of 10-25 keV when compared to their micro-sized counterparts. However, at higher synchrotron radiation energies (i.e., 30-40 keV), the X-ray transmission characteristics were similar with no apparent size effect for both nano-sized and micro-sized WO3-epoxy composites. The equivalent X-ray energies for the operating X-ray tube voltages of the mammography unit (25-49 kV) were in the range of 15-25 keV. Similarly, for a radiology unit operating at 40-60 kV, the equivalent energy range was 25-40 keV, and for operating voltages greater than 60 kV (i.e., 70-100 kV), the equivalent energy was in excess of 40 keV. The mechanical properties of epoxy composites increased initially with an increase in the filler loading but a further increase in the WO3 loading resulted in deterioration of flexural strength, modulus and hardness.
    Matched MeSH terms: X-Rays
  15. Alosfur FK, Jumali MH, Radiman S, Ridha NJ, Yarmo MA, Umar AA
    Nanoscale Res Lett, 2013;8(1):346.
    PMID: 23919496 DOI: 10.1186/1556-276X-8-346
    Recently, TiO2/multi-walled carbon nanotube (MWCNT) hybrid nanocatalysts have been a subject of high interest due to their excellent structures, large surface areas and peculiar optical properties, which enhance their photocatalytic performance. In this work, a modified microwave technique was used to rapidly synthesise a TiO2/MWCNT nanocatalyst with a large surface area. X-ray powder diffraction, field-emission scanning electron microscopy, transmission electron microscopy and Brunauer-Emmett-Teller measurements were used to characterise the structure, morphology and the surface area of the sample. The photocatalytic activity of the hybrid nanocatalysts was evaluated through a comparison of the degradation of methylene blue dye under irradiation with ultraviolet and visible light. The results showed that the TiO2/MWCNT hybrid nanocatalysts degraded 34.9% of the methylene blue (MB) under irradiation with ultraviolet light, whereas 96.3% of the MB was degraded under irradiation with visible light.
    Matched MeSH terms: X-Rays
  16. Mansoor MA, Ismail A, Yahya R, Arifin Z, Tiekink ER, Weng NS, et al.
    Inorg Chem, 2013 May 20;52(10):5624-6.
    PMID: 23627942 DOI: 10.1021/ic302772b
    Perovskite-structured lead titanate thin films have been grown on FTO-coated glass substrates from a single-source heterometallic molecular complex, [PbTi(μ2-O2CCF3)4(THF)3(μ3-O)]2 (1), which was isolated in quantitative yield from the reaction of tetraacetatolead(IV), tetrabutoxytitanium(IV), and trifluoroacetic acid from a tetrahydrofuran solution. Complex 1 has been characterized by physicochemical methods such as melting point, microanalysis, FTIR, (1)H and (19)F NMR, thermal analysis, and single-crystal X-ray diffraction (XRD) analysis. Thin films of lead titanate having spherical particles of various sizes have been grown from 1 by aerosol-assisted chemical vapor deposition at 550 °C. The thin films have been characterized by powder XRD, scanning electron microscopy, and energy-dispersive X-ray analysis. An optical band gap of 3.69 eV has been estimated by UV-visible spectrophotometry.
    Matched MeSH terms: X-Rays
  17. Izamin I, Rizal AM
    Med J Malaysia, 2012 Dec;67(6):606-9.
    PMID: 23770954 MyJurnal
    INTRODUCTION: Various studies in primary care and hospitalized patients have discouraged routine use of chest x-ray (CXR) in medical examination.
    PURPOSE: The study aims to determine the prevalence of abnormal routine CXR and cost of one CXR at a public health clinic and discuss the rationale of CXR in routine medical examination.
    METHODOLOGY: Data of patients who visited Klinik Kesihatan Bandar Kota Bharu (KKBKB), a public health clinic, from 1 January until 31 December 2010 were examined. The study used cross-sectional design. All patients who came for medical examination and CXR at KKBKB were included. Cost analysis was performed from the perspective of provider.
    FINDINGS: About 63.1% of 8315 CXR films in KKBKB were produced as part of routine medical examination. Prevalence of abnormal CXR was 0.25%. The cost of producing one CXR ranges from RM15.87 to RM32.34.
    DISCUSSION: Low yield from CXR screening and high cost of CXR are the main concern. CXR screening would also lead to unnecessary radiation; and false-positive screening resulting in physical risk, unwarranted anxiety and more expenditure. CXR screening is appropriately reserved for high-risk patients and those with relevant clinical findings.
    Matched MeSH terms: X-Rays
  18. Shakhreet BZ, Bauk S, Tajuddin AA, Shukri A
    Radiat Prot Dosimetry, 2009 Jul;135(1):47-53.
    PMID: 19482883 DOI: 10.1093/rpd/ncp096
    The mass attenuation coefficients (mu/rho) of Rhizophora spp. were determined for photons in the energy range of 15.77-25.27 keV. This was carried out by studying the attenuation of X-ray fluorescent photons from zirconium, molybdenum, palladium, silver, indium and tin targets. The results were compared with theoretical values for average breast tissues in young-age, middle-age and old-age groups calculated using photon cross section database (XCOM), the well-known code for calculating attenuation coefficients and interaction cross-sections. The measured mass attenuation coefficients were found to be very close to the calculated XCOM values in breasts of young-age group.
    Matched MeSH terms: X-Rays
  19. Ghiyasiyan-Arani M, Masjedi-Arani M, Ghanbari D, Bagheri S, Salavati-Niasari M
    Sci Rep, 2016 05 04;6:25231.
    PMID: 27143312 DOI: 10.1038/srep25231
    In this work, copper pyrovanadate (Cu3V2O7(OH)2(H2O)2) nanoparticles have been synthesized by a simple and rapid chemical precipitation method. Different copper-organic complexes were used to control the size and morphology of products. The morphology and structure of the as-synthesized products were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectrum, electron dispersive X-ray spectroscopy (EDX), thermal gravimetric analysis (TGA), differential thermal analysis (DTA) and photoluminescence (PL) spectroscopy. The influence of copper pyrovanadate nanostructures on the flame retardancy of the polystyrene, poly vinyl alcohol and cellulose acetate was studied. Dispersed nanoparticles play the role of a magnetic barrier layer, which slows down product volatilization and prevents the flame and oxygen from the sample during decomposition of the polymer. Cu3V2O7(OH)2(H2O)2 is converted to Cu3V2O8 with an endothermic reaction which simultaneously releases water and decrease the temperature of the flame region.
    Matched MeSH terms: X-Rays
  20. El-Faham A, Soliman SM, Osman SM, Ghabbour HA, Siddiqui MR, Fun HK, et al.
    PMID: 26845586 DOI: 10.1016/j.saa.2016.01.051
    Novel series of 2-(4,6-dimethoxy,1,3,5-triazin-2-yl) amino acid ester derivatives were synthesized using simple one pot method in methanol. The products were obtained in high yields and purities as observed from their spectral data, elemental analyses, GC-MS and X-ray crystallographic analysis. The B3LYP/6-311G(d,p) calculated molecular structures are well correlated with the geometrical parameters obtained from the X-ray analyses. The spectroscopic properties such as IR vibrational modes, NMR chemical shifts and UV-Vis electronic transitions were discussed both experimentally and theoretically. The IR vibrational frequencies showed good correlations with the experimental data (R(2)=0.9961-0.9995). The electronic spectra were assigned based on the TD-DFT results. Intense electronic transition band is calculated at 198.1nm (f=0.1389), 204.2nm (f=0.2053), 205.0 (f=0.1704) and 205.7 (0.2971) for compounds 6a-i, respectively. The molecular orbital energy levels contributed in the longest wavelength transition band were explained. For all compounds, the experimental wavelengths showed red shifts compared to the calculations due to the solvent effect. The NMR chemical shifts were calculated using GIAO method. The NBO analyses were performed to predict the stabilization energies due to the electron delocalization processes occur in the studied systems.
    Matched MeSH terms: X-Rays
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