Displaying publications 1 - 20 of 624 in total

  1. Yeap JS, Lim KH, Yong KT, Lim SH, Kam TS, Low YY
    J Nat Prod, 2019 02 22;82(2):324-329.
    PMID: 30698428 DOI: 10.1021/acs.jnatprod.8b00754
    Three new Lycopodium alkaloids comprising two lycodine-type alkaloids (1, 2) and one fawcettimine alkaloid (3), in addition to 16 known alkaloids, were isolated from Lycopodium platyrhizoma. The structures of these alkaloids were elucidated based on analysis of their NMR and MS data. Lycoplatyrine A (1) represents an unusual lycodine-piperidine adduct. The structures and absolute configurations of lycoplanine D (hydroxy-des- N-methyl-α-obscurine, 10) and lycogladine H (11) were confirmed by X-ray diffraction analysis.
    Matched MeSH terms: X-Ray Diffraction
  2. Afishah Alias, Fauziah Abdul Aziz, Abd. Rashid Hassan
    In this study, the unaffected, affected and heavily affected teeth were studied by using X-Ray diffraction method. The D-values, which are related to the crystallite size of the apatite crystals, were calculated according to the Sherrer equation. The crystallite size of unaffected enamel was found to be 1530.95Å, while the affected enamel was 1490.22Å and the heavily affected enamel was 1484.16Å respectively. This study showed that the unaffected enamel has greater crystallite size as compared to the affected and heavily affected enamel.
    Matched MeSH terms: X-Ray Diffraction
  3. Lyn LY, Sze HW, Rajendran A, Adinarayana G, Dua K, Garg S
    Acta Pharm, 2011 Dec;61(4):391-402.
    PMID: 22202198 DOI: 10.2478/v10007-011-0037-z
    Piroxicam is a nonsteroidal anti-inflammatory drug with low aqueous solubility which exhibits polymorphism. The present study was carried out to develop polymorphs of piroxicam with enhanced solubility and dissolution rate by the crystal modification technique using different solvent mixtures prepared with PEG 4000 and PVP K30. Physicochemical characteristics of the modified crystal forms of piroxicam were investigated by X-ray powder diffractometry, FT-IR spectrophotometry and differential scanning calorimetry. Dissolution and solubility profiles of each modified crystal form were studied and compared with pure piroxicam. Solvent evaporation method (method I) produced both needle and cubic shaped crystals. Slow crystallization from ethanol with addition of PEG 4000 or PVP K30 at room temperature (method II) produced cubic crystal forms. Needle forms produced by method I improved dissolution but not solubility. Cubic crystals produced by method I had a dissolution profile similar to that of untreated piroxicam but showed better solubility than untreated piroxicam. Cubic shaped crystals produced by method II showed improved dissolution, without a significant change in solubility. Based on the XRPD results, modified piroxicam crystals obtained by method I from acetone/benzene were cube shaped, which correlates well with the FTIR spectrum; modified needle forms obtained from ethanol/methanol and ethanol/acetone showed a slight shift of FTIR peak that may be attributed to differences in the internal structure or conformation.
    Matched MeSH terms: X-Ray Diffraction/methods
  4. Kamarulzaman N, Kasim MF, Rusdi R
    Nanoscale Res Lett, 2015 Dec;10(1):1034.
    PMID: 26319225 DOI: 10.1186/s11671-015-1034-9
    Band gap change in doped ZnO is an observed phenomenon that is very interesting from the fundamental point of view. This work is focused on the preparation of pure and single phase nanostructured ZnO and Cu as well as Mn-doped ZnO for the purpose of understanding the mechanisms of band gap narrowing in the materials. ZnO, Zn0.99Cu0.01O and Zn0.99Mn0.01O materials were prepared using a wet chemistry method, and X-ray diffraction (XRD) results showed that all samples were pure and single phase. UV-visible spectroscopy showed that materials in the nanostructured state exhibit band gap widening with respect to their micron state while for the doped compounds exhibited band gap narrowing both in the nano and micron states with respect to the pure ZnO materials. The degree of band gap change was dependent on the doped elements and crystallite size. X-ray photoelectron spectroscopy (XPS) revealed that there were shifts in the valence bands. From both UV-visible and XPS spectroscopy, it was found that the mechanism for band gap narrowing was due to the shifting of the valance band maximum and conduction band minimum of the materials. The mechanisms were different for different samples depending on the type of dopant and dimensional length scales of the crystallites.
    Matched MeSH terms: X-Ray Diffraction
  5. Zainuri DA, Razak IA, Arshad S
    Acta Crystallogr E Crystallogr Commun, 2018 Oct 01;74(Pt 10):1427-1432.
    PMID: 30319794 DOI: 10.1107/S2056989018012641
    The structures of two new anthracenyl chalcones, namely (E)-1-(anthracen-9-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one, C23H15NO3, and (E)-1-(anthracen-9-yl)-3-(4-iodo-phen-yl)prop-2-en-1-one, C23H15IO are reported. A structural comparative study between the two chalcones was performed and some effects on the geometrical parameters, such as planarity and dihedral angles, are described. The mol-ecular geometry was determined by single-crystal X-ray diffraction, and density functional theory (DFT) at B3LYP with the 6-311++G(d,p) basis set was applied to optimize the ground-state geometry. In addition, inter-molecular inter-actions responsible for the crystal packing were analysed. The electronic properties, such as excitation energies and HOMO-LUMO energies were calculated by time-dependent density functional theory (TD-DFT) and the results complement the experimental findings. The mol-ecular electrostatic potential (MEP) was also investigated at the same level of theory in order to identify and qu-antify the possible reactive sites.
    Matched MeSH terms: X-Ray Diffraction
  6. Mohd Amirul Syafiq Mohd Yunos, Zainal Abidin Talib, Wan Mahmood Mat Yunus, Liew, Josephine Ying Chyi, Paulus, Wilfred Sylvester
    Semiconductor thin films Copper Tin Selenide, Cu2SnSe3, a potential compound for solar cell applications or semiconductor radiation detector were prepared by thermal evaporation method onto well-cleaned glass substrates. The as-deposited films were annealed in flowing purified nitrogen N2, for 2 hours in a temperature range from 100˚C to 500˚C. The structure of as-deposited and annealed films has been studied by X-ray diffraction technique. The semi-quantitative analysis indicated from Reitveld refinement show that the samples composed of Cu2SnSe3 and SnSe. These studies revealed that the films were structured in mixed phase between cubic space group F-43m (no. 216) and orthorhombic space group P n m a (no. 62). The crystallite size and lattice strain were determined from Scherrer calculation method. The results show that increasing in annealing temperature resulted in direct increase in crystallite size and decrease in lattice strain.
    Matched MeSH terms: X-Ray Diffraction
  7. Jamal, Z., Idris, M.S., Irzaman, Barmawi, M.
    Ceramic of BaxSr1-xTiO3 (BST) for x =0.3; 0.5 and 0.7 were successfully deposited by solid solution method. The BST ceramic were analyzed by x-ray diffraction (XRD). The XRD spectra was recorded on a Philips type PW 3701 diffractometer using CuKD (Oco = 1.54056 Å) radiation at 30 KV and 30 mA (900 watt). The spectra shows that BST ceramic are polycrystalline with tetragonal structure. The lattice constants analysis of the grown ceramics was analyzed by visual basic program. Using Cohen’s and Cramer’s algorithms in visual basic program, , the lattice constants are a = b = 3.877 Å; c = 3.970 Å for Ba0.3Sr0.7TiO3 ceramic, a = b = 3.979 Å; c = 3.981 Å. for Ba0.5Sr0.5TiO3 ceramic and a = b = 3.965 Å; c = 4.005 Å for Ba0.7Sr0.3TiO3 ceramic, respectively. The reform value of the lattice constant of BST ceramic is possibly associated with the anti site defects of Ba and Sr.
    Matched MeSH terms: X-Ray Diffraction
  8. Hafizal Yazid, Sahrim Ahmad, Laggner, P., Aziz Mohamed, A., Dahlan, H.M., M. Rawi M. Z., et al.
    Thermoplastic natural rubber sample is found isotropic based on SAXS pattern. Morphological parameter was obtained based on ideal lamellar morphology using 1-D correlation function. The fitting was carried out using Porod tail model and Vonk for back-extrapolated model. It is found that the long period value is 15.7nm which is comparable to results obtained from Lorents corrected profile, 20nm. Crystalline thickness and amorphous thickness was found as 13.4 and 2.31nm respectively
    Matched MeSH terms: X-Ray Diffraction
  9. Fadhlia Zafarina Zakaria, Julynnie Wajir, Fauziah Abdul Aziz
    This study was designed to investigate the crystallite sizes of Porites species. A set of 9 Porites skeletons i.e. Porites australiensis, Porites cylindrica, Porites lutea, Porites lichen, Porites digitata, Porites nigrescens, Porites rus, Porites annae and Porites sp. were studied by using XRay Diffraction method. The values of FWHM and theta (θ) are used in Scherrer equation to determine the crystallite sizes of all Porites samples. It was found that the crystallite sizes were in the range of 1007.78 Ǻ – 1706.04 Ǻ.
    Matched MeSH terms: X-Ray Diffraction
  10. Rebecca LWX, Burhanudin ZA, Abdullah M, Saheed MSM
    Heliyon, 2020 Feb;6(2):e03364.
    PMID: 32072054 DOI: 10.1016/j.heliyon.2020.e03364
    The current work presents structural change and band gap tunability using hybrid organic-inorganic perovskite with the incorporation of long chain ammonium halide. Thin films of MAPbI3 with different ratio of n-butylammonium iodide (BAI) have been successfully deposited on the substrate using a single step coating technique. X-ray diffraction scans revealed the transition of the 3D structure of MAPbI3 to quasi-2D perovskite structure when BAI loading increase with a crystallite size range approximately 16 nm. This structural changeis reflected in the band gap as it increased from 1.59 eV for bulk crystal MAPbI3 to 2.13 eV for BAI and MAPbI3 ratio of 1:1. Correspondingly, photoluminescence measurement showed a blue shift in perovskite emission due to the transition of 3D to 2D layered structure perovskite. Raman spectra confirm that all fabricated films are of pristine quality and no corresponding degradation peaks of PbI2 is observed. These characteristics are important to address the single step deposition method of hybrid perovskite for perovskite solar cells application.
    Matched MeSH terms: X-Ray Diffraction
  11. Taha A, Akram M, Jawad Z, Alshemary AZ, Hussain R
    Mater Sci Eng C Mater Biol Appl, 2017 Nov 01;80:93-101.
    PMID: 28866230 DOI: 10.1016/j.msec.2017.05.117
    Microwave assisted wet precipitation method was used to synthesize calcium deficient strontium doped β-tricalcium phosphate (Sr-βTCP) with a chemical formula of Ca2.96-xSrx(PO4)2. Sr-βTCP was reacted with monocalcium phosphate monohydrate [Ca(H2PO4)2.H2O, MCPM] in presence of water to furnish corresponding Sr containing brushite cement (Sr-Brc). The samples were characterized by using X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and field emission scanning electron microscopy (FESEM). Strontium content in the prepared samples was determined by using inductively coupled plasma optical emission spectrometry (ICP-OES). The effect of Sr2+ions on the structural, mechanical, setting properties and drug release of the cement is reported. Incorporation of Sr2+ions improved the injectability, setting time and mechanical properties of the Brc. The release profiles of antibiotics incorporated in Brc and Sr-Brc confirmed that the Sr incorporation into the Brc results in the efficient release of the antibiotics from the cement.
    Matched MeSH terms: X-Ray Diffraction
  12. Han TK, Fen LB, Nee NM, Johan MR
    ScientificWorldJournal, 2014;2014:847806.
    PMID: 24995365 DOI: 10.1155/2014/847806
    We report the synthesis of amorphous carbon nanotubes/silver (αCNTs/Ag) nanohybrids via simple chemical route without additional reactant and surfactant at low temperature. Field emission scanning microscope (FESEM) and transmission electron microscope (TEM) confirmed formation of CNTs. X-ray diffraction (XRD) pattern confirmed the amorphous phase of carbon and the formation of Ag nanoparticles crystalline phase. Raman spectra revealed the amorphous nature of α CNTs. UV-visible spectroscopy showed enhancement of optical properties of α CNTs/Ag nanohybrids.
    Matched MeSH terms: X-Ray Diffraction/methods
  13. Zahid NI, Conn CE, Brooks NJ, Ahmad N, Seddon JM, Hashim R
    Langmuir, 2013 Dec 23;29(51):15794-804.
    PMID: 24274824 DOI: 10.1021/la4040134
    Synthetic branched-chain glycolipids are suitable as model systems in understanding biological cell membranes, particularly because certain natural lipids possess chain branching. Herein, four branched-chain glycopyranosides, namely, 2-hexyl-decyl-α-D-glucopyranoside (α-Glc-OC10C6), 2-hexyl-decyl-β-D-glucopyranoside (β-Glc-OC10C6), 2-hexyl-decyl-α-D-galactopyranoside (α-Gal-OC10C6), and 2-hexyl-decyl-β-D-galactopyranoside (β-Gal-OC10C6), with a total alkyl chain length of 16 carbon atoms have been synthesized, and their phase behavior has been studied. The partial binary phase diagrams of these nonionic surfactants in water were investigated by optical polarizing microscopy (OPM) and small-angle X-ray scattering (SAXS). The introduction of chain branching in the hydrocarbon chain region is shown to result in the formation of inverse structures such as inverse hexagonal and inverse bicontinuous cubic phases. A comparison of the four compounds showed that they exhibited different polymorphism, especially in the thermotropic state, as a result of contributions from anomeric and epimeric effects according to their stereochemistry. The neat α-Glc-OC10C6 compound exhibited a lamellar (Lα) phase whereas dry α-Gal-OC10C6 formed an inverse bicontinuous cubic Ia3d (QII(G)) phase. Both β-anomers of glucoside and galactoside adopted the inverse hexagonal phase (HII) in the dry state. Generally, in the presence of water, all four glycolipids formed inverse bicontinuous cubic Ia3d (QII(G)) and Pn3m (QII(D)) phases over wide temperature and concentration ranges. The formation of inverse nonlamellar phases by these Guerbet branched-chain glycosides confirms their potential as materials for novel biotechnological applications such as drug delivery and crystallization of membrane proteins.
    Matched MeSH terms: X-Ray Diffraction*
  14. Agatonovic-Kustrin S, Rades T, Wu V, Saville D, Tucker IG
    J Pharm Biomed Anal, 2001 Jul;25(5-6):741-50.
    PMID: 11377056
    The identification, characterization and quantification of crystal forms are becoming increasingly important within the pharmaceutical industry. A combination of different physical analytical techniques is usually necessary for this task. In this work solid-state techniques, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and X-ray powder diffractometry (XRPD) were combined to analyze polymorphic purity of crystalline ranitidine-HCl, an antiulcer drug, H2 receptor antagonists. A series of 12 different mixtures of Form 1 and 2 was prepared by geometric mixing and their DRIFT spectra and XRD powder patterns were obtained and analyzed, either alone or combined together, using Artificial Neural Networks (ANNs). A standard feed-forward network, with back-propagation rule and with multi layer perceptron architecture (MPL) was chosen. A working range of 1.0-100% (w/w) of crystal Form 2 in Form 1 was established with a minimum quantifiable level (MQL) of 5.2% and limit of detection of 1.5% (w/w). The results demonstrate that DRIFTS combined with XRPD may be successfully used to distinguish between the ranitidine-HCl polymorphs and to quantify the composition of binary mixtures of the two.
    Matched MeSH terms: X-Ray Diffraction/methods*
  15. Zaliha O, Elina H, Sivaruby K, Norizzah AR, Marangoni AG
    J Oleo Sci, 2018 Jun 01;67(6):737-744.
    PMID: 29760328 DOI: 10.5650/jos.ess17168
    The in situ polymorphic forms and thermal transitions of refined, bleached and deodorized palm oil (RBDPO), palm stearin (RBDPS) and palm kernel oil (RBDPKO) were investigated using coupled X-ray diffraction (XRD) and differential scanning calorimetry (DSC). Results indicated that the DSC onset crystallisation temperature of RBDPO was at 22.6°C, with a single reflection at 4.2Å started to appear from 23.4 to 17.1°C, and were followed by two prominent exothermic peaks at 20.1°C and 8.5°C respectively. Further cooling to -40°C leads to the further formation of a β'polymorph. Upon heating, a of β'→βtransformation was observed between 32.1 to 40.8°C, before the sample was completely melted at 43.0°C. The crystallization onset temperature of RBDPS was 44.1°C, with the appearance of the α polymorph at the same temperature as the appearance of the first sharp DSC exothermic peak. This quickly changed from α→β´ in the range 25 to 21.7°C, along with the formation of a small β peak at -40°C. Upon heating, a small XRD peak for the β polymorph was observed between 32.2 to 36.0°C, becoming a mixture of (β´+ β) between 44.0 to 52.5°C. Only the β polymorph survived further heating to 59.8°C. For RBDPKO, the crystallization onset temperature was 11.6°C, with the formation of a single sharp exothermic peak at 6.5°C corresponding to the β' polymorphic form until the temperature reached -40°C. No transformation of the polymorphic form was observed during the melting process of RBDPKO, before being completely melted at 33.2°C. This work has demonstrated the detailed dynamics of polymorphic transformations of PKO and PS, two commercially important hardstocks used widely by industry and will contribute to a greater understanding of their crystallization and melting dynamics.
    Matched MeSH terms: X-Ray Diffraction*
  16. Sarijo SH, Hussein MZ, Yahaya AH, Zainal Z
    J Hazard Mater, 2010 Oct 15;182(1-3):563-9.
    PMID: 20633986 DOI: 10.1016/j.jhazmat.2010.06.070
    The release of chlorophenoxyherbicides agrochemicals, namely 2-chloro- (2CPA), 4-chloro and 2,4,5-trichloro (TCPA) phenoxyacetates from their nanohybrids into various aqueous solutions; carbonate, sulfate and chloride was found to be controlled by pseudo-second order rate expression. The percentage saturated released was found to be anionic-dependent, in the order of carbonate>sulfate>chloride for the release media and 2CPA>4CPA>TCPA for the anionic guests. This study demonstrates that the release of the phenoxyherbicides agrochemicals from the nanohybrid compounds can be tuned by choosing the right combination of exchangeable anions both the incoming and the outgoing anions.
    Matched MeSH terms: X-Ray Diffraction
  17. Aina A, Gupta M, Boukari Y, Morris A, Billa N, Doughty S
    Saudi Pharm J, 2016 Mar;24(2):227-31.
    PMID: 27013917 DOI: 10.1016/j.jsps.2015.03.015
    The microencapsulation of three model drugs; metronidazole, paracetamol and sulphapyridine into Poly (dl-Lactide-Co-Glycolide) (PLGA) scaffolds were probed using X-ray Powder Diffraction (XRPD). Changes in the diffraction patterns of the PLGA scaffolds after encapsulation was suggestive of a chemical interaction between the pure drugs and the scaffolds and not a physical intermixture.
    Matched MeSH terms: X-Ray Diffraction
  18. Parlak C, Ramasami P, Kumar CS, Tursun M, Quah CK, Rhyman L, et al.
    PMID: 25974671 DOI: 10.1016/j.saa.2015.04.022
    A novel (2E)-1-(5-chlorothiophen-2-yl)-3-{4-[(E)-2-phenylethenyl]phenyl}prop-2-en-1-one [C21H15ClOS] compound has been synthesized and its structure has been characterized by FT-IR, Raman and single-crystal X-ray diffraction techniques. The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the compound have been examined by means of HF, MP2, BP86, BLYP, BMK, B3LYP, B3PW91, B3P86 and M06-2X functionals. Reliable vibrational assignments and molecular orbitals have been investigated by the potential energy distribution and natural bonding orbital analyses, respectively. The compound crystallizes in the triclinic space group P-1 with the cis-trans-trans form. There is a good agreement between the experimentally determined structural parameters and vibrational frequencies of the compound and those predicted theoretically using the density functional theory with the BLYP and BP86 functionals.
    Matched MeSH terms: X-Ray Diffraction
  19. Mensah EE, Abbas Z, Azis RS, Ibrahim NA, Khamis AM, Abdalhadi DM
    Heliyon, 2020 Dec;6(12):e05595.
    PMID: 33305050 DOI: 10.1016/j.heliyon.2020.e05595
    The development of microwave absorbing materials based on recycled hematite (α-Fe2O3) nanoparticles and polycaprolactone (PCL) was the main focus of this study. α-Fe2O3 was recycled from mill scale and reduced to nanoparticles through high energy ball milling in order to improve its complex permittivity properties. Different compositions (5% wt., 10% wt., 15% wt. and 20% wt.) of the recycled α-Fe2O3 nanoparticles were melt-blended with PCL using a twin screw extruder to fabricate recycled α-Fe2O3/PCL nanocomposites. The samples were characterized for their microstructural properties through X - ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). The complex permittivity and microwave absorption properties were respectively measured using the open ended coaxial (OEC) probe and a microstrip in connection with a vector network analyzer in the 1-4 GHz frequency range. An average α-Fe2O3 nanoparticle size of 16.2 nm was obtained with a maximum imaginary (ε") part of permittivity value of 0.54 at 4 GHz. The complex permittivity and power loss values of the nanocomposites increased with recycled α-Fe2O3 nanofiller content. At 2.4 GHz, the power loss (dB) values obtained for all the nanocomposites were between 13.3 dB and 14.4 dB and at 3.4 GHz, a maximum value of 16.37 dB was achieved for the 20 % wt. nanocomposite. The recycled α-Fe2O3/PCL nanocomposites have the potential for use in noise reduction applications in the 1-4 GHz range.
    Matched MeSH terms: X-Ray Diffraction
  20. Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, et al.
    Acta Crystallogr E Crystallogr Commun, 2017 Jul 01;73(Pt 7):1087-1091.
    PMID: 28775889 DOI: 10.1107/S2056989017009422
    The compounds 2-(1-benzo-furan-2-yl)-2-oxoethyl 2-nitro-benzoate, C17H11NO6 (I), and 2-(1-benzo-furan-2-yl)-2-oxoethyl 2-amino-benzoate, C17H13NO4 (II), were synthesized under mild conditions. Their mol-ecular structures were characterized by both spectroscopic and single-crystal X-ray diffraction analysis. The mol-ecular conformations of both title compounds are generally similar. However, different ortho-substituted moieties at the phenyl ring of the two compounds cause deviations in the torsion angles between the carbonyl group and the attached phenyl ring. In compound (I), the ortho-nitro-phenyl ring is twisted away from the adjacent carbonyl group whereas in compound (II), the ortho-amino-phenyl ring is almost co-planar with the carbonyl group. In the crystal of compound (I), two C-H⋯O hydrogen bonds link the mol-ecules into chains propagating along the c-axis direction and the chains are inter-digitated, forming sheets parallel to [20-1]. Conversely, pairs of N-H⋯O hydrogen bonds in compound (II) link inversion-related mol-ecules into dimers, which are further extended by C-H⋯O hydrogen bonds into dimer chains. These chains are inter-connected by π-π inter-actions involving the furan rings, forming sheets parallel to the ac plane.
    Matched MeSH terms: X-Ray Diffraction
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