Displaying publications 81 - 100 of 992 in total

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  1. Thanigaimani K, Arshad S, Khalib NC, Razak IA, Arunagiri C, Subashini A, et al.
    PMID: 25942090 DOI: 10.1016/j.saa.2015.04.028
    The structure of (E)-1-(4-Bromophenyl)-3-(napthalen-2-yl)prop-2-en-1-one (C19H13BrO) crystallized in the triclinic system of P-1 space group. The unit cell dimensions are: a=5.8944 (9)Å, b=7.8190 (12)Å, c=16.320 (2)Å, α=102.4364 (19)°, β=95.943 (2)°, γ=96.274 (2)° and Z=2. The physical properties of this compound was determined by the spectroscopic methods (FTIR and (1)H and (13)C NMR). Quantum chemical investigations have been employed to investigate the structural and spectral properties. The molecular structure, vibrational assignments, (1)H and (13)C NMR chemical shift values, non-linear optical (NLO) effect, HOMO-LUMO analysis and natural bonding orbital (NBO) analysis were calculated using HF and DFT/B3LYP methods with 6-311++G(d,p) basis set in the ground state. The results show that the theoretical calculation of the geometrical parameters, vibrational frequencies and chemical shifts are comparable with the experimental data. The crystal structure is influenced and stabilized by weak C-H⋯π interactions connecting the molecules into infinite supramolecular one dimensional ladder-like arrangement. Additionally, this compound is evaluated for their antibacterial activities against gram positive and gram negative strains using a micro dilution procedure and shows activities against a panel of microorganisms.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  2. Panicker CY, Varghese HT, Nayak PS, Narayana B, Sarojini BK, Fun HK, et al.
    PMID: 25863456 DOI: 10.1016/j.saa.2015.03.065
    FT-IR spectrum of (2E)-3-(3-nitrophenyl)-1-[4-piperidin-1-yl]prop-2-en-1-one was recorded and analyzed. The vibrational wavenumbers were computed using HF and DFT quantum chemical calculations. The data obtained from wavenumber calculations are used to assign IR bands. Potential energy distribution was done using GAR2PED software. The geometrical parameters of the title compound are in agreement with the XRD results. NBO analysis, HOMO-LUMO, first and second hyperpolarizability and molecular electrostatic potential results are also reported. The possible electrophile attacking sites of the title molecule is identified using MEP surface plot study. Molecular docking results predicted the anti-leishmanic activity for the compound.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  3. Barakat A, Al-Najjar HJ, Al-Majid AM, Soliman SM, Mabkhot YN, Shaik MR, et al.
    PMID: 25827772 DOI: 10.1016/j.saa.2015.03.016
    The synthesis and spectral characterization of the 5-(2,6-dichlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione;3 was reported. The solid state molecular structure of 3 was studied using X-ray crystallography. The relative stabilities of the seven possible isomers of 3 were calculated by DFT/B3LYP method using 6-311 G(d,p) basis set. The calculated total energies and thermodynamic parameters were used to predict the relative stabilities of these isomers. The effect of solvent polarity on the relative stability of these isomers was studied at the same level of theory using PCM. It was found that the keto form, (T0), is the most stable isomer both in the gaseous state and solution. In solution, the calculated total energies of all isomers are decreased indicating that all isomers are stabilized by the solvent effect. The vibrational spectra of the most stable isomer, 3(T0) are calculated using the same level of theory and the results are compared with the experimentally measured FTIR spectra. Good correlation was obtained between the experimental and calculated vibrational frequencies (R(2)=0.9992). The electronic spectra of 3(T0) in gas phase as well as in solutions were calculated using the TD-DFT method. All the predicted electronic transitions showed very little spectral shifts and increase in the intensity of absorption due to solvent effect. Also the (1)H- and (13)C-NMR chemical shifts of the stable isomer were calculated and the results were correlated with the experimental data. Good correlations between the experimental and calculated chemical shifts were obtained.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  4. Kumar CS, Parlak C, Tursun M, Fun HK, Rhyman L, Ramasami P, et al.
    PMID: 25767992 DOI: 10.1016/j.saa.2015.02.079
    The structure of 3-iodobenzaldehyde (3IB) was 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 3IB were examined using density functional theory (DFT) method, with the Becke-3-Lee-Yang-Parr (B3LYP) functional and the 6-311+G(3df,p) basis set for all atoms except for iodine. The LANL2DZ effective core basis set was used for iodine. Potential energy distribution (PED) analysis of normal modes was performed to identify characteristic frequencies. 3IB crystallizes in monoclinic space group P21/c with the O-trans form. There is a good agreement between the theoretically predicted structural parameters, and vibrational frequencies and those obtained experimentally. In order to understand halogen effect, 3-halogenobenzaldehyde [XC6H4CHO; X=F, Cl and Br] was also studied theoretically. The free energy difference between the isomers is small but the rotational barrier is about 8kcal/mol. An atypical behavior of fluorine affecting conformational preference is observed.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  5. Daniyal WMEMM, Fen YW, Abdullah J, Sadrolhosseini AR, Saleviter S, Omar NAS
    PMID: 30594850 DOI: 10.1016/j.saa.2018.12.031
    Surface plasmon resonance (SPR) is a label-free optical spectroscopy that is widely used for biomolecular interaction analysis. In this work, SPR was used to characterize the binding properties of highly sensitive nanocrystalline cellulose-graphene oxide based nanocomposite (CTA-NCC/GO) towards nickel ion. The formation of CTA-NCC/GO nanocomposite has been confirmed by FT-IR. The SPR analysis result shows that the CTA-NCC/GO has high binding affinity towards Ni2+ from 0.01 until 0.1 ppm with binding affinity constant of 1.620 × 103 M-1. The sensitivity for the CTA-NCC/GO calculated was 1.509° ppm-1. The full width at half maximum (FWHM), data accuracy (DA), and signal-to-noise ratio (SNR) have also been determined using the obtained SPR curve. For the FWHM, the value was 2.25° at 0.01 until 0.08 ppm and decreases to 2.12° at 0.1 until 10 ppm. The DA for the SPR curves is the highest at 0.01 until 0.08 ppm and lowest at 0.1 until 10 ppm. The SNR curves mirrors the curves of SPR angle shift where the SNR increases with the Ni2+ concentrations. For the selectivity test, the CTA-NCC/GO has the abilities to differentiate Ni2+ in the mixture of metal ions.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  6. Obaid A, Jamil AKM, Prabu S, Saharin SM, Mohamad S
    PMID: 32652287 DOI: 10.1016/j.saa.2020.118674
    Inclusion complexes of R-ketoprofen and S-ketoprofen enantiomers with β-cyclodextrin (β-CD) in aqueous solution were studied using various spectroscopic techniques such as Raman, FTIR, UV and fluorescence. The different relative intensities and characteristic band shifts of the two enantiomers from Raman spectra suggests different interaction when complexed with β-CD. Raman experiments revealed a noticeable diminishing of the CC vibration and ring deformation, which indicate the embedding of ketoprofen inside the β-CD cavity. It's revealed that distinct differences between R- and S-ketoprofen in the presence of β-CD at neutral pH. The stoichiometry ratio and binding constant of the inclusion complexes were calculated using Benesi-Hildebrand plot. Both enantiomers showed stoichiometry ratio of 1:1 inclusion complex with β-CD. The binding constant of R-ketoprofen (4088 M-1) is higher than S-ketoprofen (2547 M-1). These values indicated that β-CD formed inclusion complexes more preferentially with R-ketoprofen than S-ketoprofen. Results demonstrated that β-CD can be used as a promising chiral selector for ketoprofen enantiomers.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  7. Muhammad FF, Yahya MY, Ketuly KA, Muhammad AJ, Sulaiman K
    PMID: 27372510 DOI: 10.1016/j.saa.2016.06.031
    In this work the optical response, spectroscopic behaviour, and optoelectronic properties of solution and solid state composite systems based on α,ω-dihexylsexithiophene/tris(8-hydroxyquinolinate) gallium (DH6T/Gaq3) are studied upon the incorporation of different molar percentages of Gaq3. UV-vis, PL, FTIR spectrophotometers and SEM technique were utilized to perform the investigations. The results showed a reduced energy band (Eg) (from 2.33eV to 1.83eV) and a broadened absorption spectrum for the blend system when 29.8% molar of Gaq3 was incorporated. These were attributed to the enhanced intermolecular interactions that are brought about by the increased strength of π-π overlap between the molecular moieties. A mathematical formula was developed to interpret the non-monotonic change occurred in Eg, while numerical calculations have been made to assign the type and nature of the electronic transitions governing the spectroscopic behaviour of the system. The results were elaborated and comprehensively discussed in terms of the exciton generation, energy band theory, molecular interactions, and spatial geometry.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  8. de Toledo TA, da Costa RC, Al-Maqtari HM, Jamalis J, Pizani PS
    PMID: 28259100 DOI: 10.1016/j.saa.2017.02.051
    The heterocyclic chalcone containing thiophene ring 1-(4-chlorophenyl)-3-(2-thienyl)prop-2-en-1-one, C13H9ClOS was synthesized and investigated using experimental techniques such as nuclear magnetic resonance (1H and 13C NMR), Fourier transform infrared spectroscopy (FTIR) at room temperature, differential scanning calorimeter (DSC) from room temperature to 500K and Raman scattering at the temperature range 10-413K in order to study its structure and vibrational properties as well as stability and possible phase transition. Density functional theory (DFT) calculations were performed to determine the vibrational spectrum viewing to improve the knowledge of the material properties. A reasonable agreement was observed between theoretical and experimental Raman spectrum taken at 10K since anharmonic effects of the molecular motion is reduced at low temperatures, leading to a more comprehensive assignment of the vibrational modes. Increasing the temperature up to 393K, was observed the typical phonon anharmonicity behavior associated to changes in the Raman line intensities, line-widths and red-shift, in special in the external mode region, whereas the internal modes region remains almost unchanged due its strong chemical bonds. Furthermore, C13H9ClOS goes to melting phase transition in the temperature range 393-403K and then sublimates in the temperature range 403-413K. This is denounced by the disappearance of the external modes and the absence of internal modes in the Raman spectra, in accordance with DSC curve. The enthalpy (ΔH) obtained from the integration of the endothermic peak in DSC curve centered at 397K is founded to be 121.5J/g.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  9. Al-Alwani MAM, Ludin NA, Mohamad AB, Kadhum AAH, Sopian K
    PMID: 28213142 DOI: 10.1016/j.saa.2017.02.026
    Current study employs mixture of chlorophyll-anthocyanin dye extracted from leaves of Cordyline fruticosa as new sensitizers for dye-sensitized solar cell (DSSCs), as well as betalains dye obtained from fruit of Hylocereus polyrhizus. Among ten pigments solvents, the ethanol and methanol extracts revealed higher absorption spectra of pigments extracted from C. fruticosa and H. polyrhizus respectively. A major effect of temperature increase was studied to increase the extraction yield. The results indicated that extraction temperature between 70 and 80°C exhibited a high dye concentration of each plant than other temperatures. The optimal temperature was around 80°C and there was a sharp decrease of dye concentration at temperatures higher than this temperature. According to experimental results, the conversion efficiency of DSSC fabricated by mixture of chlorophyll and anthocyanin dyes from C. fruticosa leaves is 0.5% with short-circuit current (Isc) of 1.3mA/cm-2, open-circuit voltage (Voc) of 0.62V and fill factor (FF) of 60.16%. The higher photoelectric conversion efficiency of the DSSC prepared from the extract of H. polyrhizus was 0.16%, with Voc of 0.5V, Isc of 0.4mA/cm-2 and FF of 79.16%. The DSSC based betalain dye extracted from fruit of H. polyrhizus shows higher maximum IPCE of 44% than that of the DSSCs sensitized with mixed chlorophyll-anthocyanin dye from C. fruticosa (42%).
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  10. Chen Y, Huang J, Yeap ZQ, Zhang X, Wu S, Ng CH, et al.
    Spectrochim Acta A Mol Biomol Spectrosc, 2018 Jun 15;199:271-282.
    PMID: 29626818 DOI: 10.1016/j.saa.2018.03.061
    Anoectochilus roxburghii (Wall.) Lindl. (Orchidaceae) is a precious traditional Chinese medicinal herb and has been perennially used to treat various illness. However, there were unethical sellers who adulterated wild A. roxburghii with tissue cultured and cultivated ones. Therefore, there is an urgent need for an effective authentication method to differentiate between these different types of A. roxburghii. In this research, the infrared spectroscopic tri-step identification approach including Fourier transform infrared spectroscopy (FT-IR), Second derivative infrared spectra (SD-IR) and two-dimensional correlation infrared spectra (2D-IR) was used to develop a simple and rapid method to discriminate between wild, cultivated and tissue cultivated A. roxburghii plant. Through this study, all three types of A. roxburghii plant were successfully identified and discriminated through the infrared spectroscopic tri-step identification method. Besides that, all the samples of wild, cultivated and tissue cultivated A. roxburghii plant were analysed with the Soft Independent Modelling of Class Analogy (SIMCA) pattern recognition technique to test and verify the experimental results. The results showed that the three types of A. roxburghii can be discriminated clearly as the recognition rate was 100% for all three types and the rejection rate was more than 60%. 70% of the validated samples were also identified correctly by the SIMCA model. The SIMCA model was also validated by comparing 70 standard herbs to the model. As a result, it was demonstrated that the macroscopic IR fingerprint method and the classification analysis could discriminate not only between the A. roxburghi samples and the standard herbs, it could also distinguish between the three different types of A. roxburghi plant in a direct, rapid and holistic manner.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  11. Maidur SR, Patil PS, Ekbote A, Chia TS, Quah CK
    Spectrochim Acta A Mol Biomol Spectrosc, 2017 Sep 05;184:342-354.
    PMID: 28528255 DOI: 10.1016/j.saa.2017.05.015
    In the present work, the title chalcone, (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl) methylene]amino}phenyl)prop-2-en-1-one (abbreviated as FAMFC), was synthesized and structurally characterized by single-crystal X-ray diffraction. The compound is crystallized in the monoclinic system with non-centrosymmetric space group P21 and hence it satisfies the essential condition for materials to exhibit second-order nonlinear optical properties. The molecular structure was further confirmed by using FT-IR and 1H NMR spectroscopic techniques. The title crystal is transparent in the Vis-NIR region and has a direct band gap. The third-order nonlinear optical properties were investigated in solution (0.01M) by Z-scan technique using a continuous wave (CW) DPSS laser at the wavelength of 532nm. The title chalcone exhibited significant two-photon absorption (β=35.8×10-5cmW-1), negative nonlinear refraction (n2=-0.18×10-8cm2W-1) and optical limiting (OL threshold=2.73kJcm-2) under the CW regime. In support of the experimental results, a comprehensive theoretical study was carried out on the molecule of FAMFC using density functional theory (DFT). The optimized geometries and frontier molecular orbitals were calculated by employing B3LYP/6-31+G level of theory. The optimized molecular structure was confirmed computationally by IR vibrational and 1H NMR spectral analysis. The experimental UV-Vis-NIR spectrum was interpreted using computational chemistry under time-dependent DFT. The static and dynamic NLO properties such as dipole moments (μ), polarizability (α), and first hyperpolarizabilities (β) were computed by using finite field method. The obtained dynamic first hyperpolarizability β(-2ω;ω,ω) at input frequency ω=0.04282a.u. is predicted to be 161 times higher than urea standard. The electronic excitation energies and HOMO-LUMO band gap for FAMFC were also evaluated by DFT. The experimental and theoretical results are in good agreement, and the NLO study suggests that FAMFC molecule can be a potential candidate in the nonlinear optical applications.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  12. Chen X, Keong CY, Mei X, Lan J
    PMID: 24508891 DOI: 10.1016/j.saa.2014.01.048
    Spaceflight represents a complex environmental condition. Space mutagenesis breeding has achieved and marked certain results over the years. This method was employed in our previous studies in order to obtain improved germplasm of Isatis indigotica. This study is to determine the chemical changes in I. indigotica seeds carried after Chinese first spaceship (Shenzhou I). Fourier transform infrared (FTIR), second derivative and two-dimensional infrared (2DIR) correlation spectroscopy were used in analysis. Not much differences between the two spectra were found except the peaks in the range of 1500-1200 cm(-)(1) which was about 7 cm(-)(1) different and indicated the absorption could be initialed from different bonds. SP4 showed different derivative compared with C4 in the second derivative spectra of 1200-800 cm(-)(1). The stronger signal of 2DIR in SP4 indicated the protein content of the seed was changed after spaceflight. It is concluded that spaceflight provided an extreme condition that caused changes of chemical properties in I. indigotica.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  13. Zhang W, Chen X, Liu G, Jin G, Li Y, Li G, et al.
    PMID: 34619507 DOI: 10.1016/j.saa.2021.120443
    The popularmedicinal mushroomGanodermalucidum was often cultivated by the natural-log. Generally the short log after cultivation were discarded and became pollutant. Rapid and less destructive method of analysis technical by Fourier Transform Infrared (FTIR) and Two-dimension Infrared (2DIR) correlation spectroscopy were selected to determine the composition changes of the logs after G.lucidum cultivation after first year to fifth year. The FTIR accumulated spectra formed without processed baseline showed the samples relied upon a sequenced increase of higher level than spectrum control Q (Q = Quercus acuttisima) from L + Q-5 (L = Lingzhi), L + Q-3, L + Q-1 to L + Q-2. The spectrum L + Q-4 has the optimum highest peak at box B, C and E from this lumped spectral view. The split spectra pinpointed on the fingerprint region of a sample begins from peak 1737 cm-1. ascribed C = O stretching vibration on acetyl and carboxyl hemicellulose group bonding gradually faded from L + Q-1 to L + Q-4 but appeared again on L + Q-5, possibly due to the degradation of hemicellulose. The absorption of peak around 1626 cm-1,1318 cm-1 and 781 cm-1 could be the characteristic absorption peak of calcium oxalate monohydrate. The correlation table indicated, most of the original structure of the building block of the wooden part was deteriorated and marked the lowest correlation value of the 4th year sample with control Q. The sudden changing pattern of 2nd derivative spectrum L + Q-3 to more flatten pattern spectrum L + Q-4 ascribed the changing contents of cellulose and hemicellulose included the lignin within one year during the G. lucidum cultivation. The 2DIR spectrum of the raw material sample precisely showed that the active site with red color was clustered with the area around 1800-1700 cm-1, 1450-800 cm-1 and 750-400 cm-1. In between, the range 1450-800 cm-1 was the most active cluster. Each of the sample showed the different sequence of autopeak comparison. This study has examined the impact of G. lucidum on the degradation of Q. acuttisima in term of their ecosystem life chain. The components of healthy Q. acuttisima wood including lignin, cellulose, hemicellulose and calcium oxalate monohydrate underwent changes after different years of G. lucidum cultivation.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  14. Yoon TL, Yeap ZQ, Tan CS, Chen Y, Chen J, Yam MF
    PMID: 34627017 DOI: 10.1016/j.saa.2021.120440
    A proof-of-concept medicinal herbs identification scheme using machine learning classifiers is proposed in the form of an automated computational package. The scheme makes use of two-dimensional correlation Fourier Transformed Infrared (FTIR) fingerprinting maps derived from the FTIR of raw herb spectra as digital input. The prototype package admits a collection of 11 machine learning classifiers to form a voting pool. A common set of oversampled dataset containing 5 different herbal classes is used to train the pool of classifiers on a one-verses-others manner. The collections of trained models, dubbed the voting classifiers, are deployed in a collective manner to cast their votes to support or against a given inference fingerprint whether it belongs to a particular class. By collecting the votes casted by all voting classifiers, a logically designed scoring system will select out the most probable guess of the identity of the inference fingerprint. The same scoring system is also capable of discriminating an inference fingerprint that does not belong to any of the classes the voting classifiers are trained for as the 'others' type. The proposed classification scheme is stress-tested to evaluate its performance and expected consistency. Our experimental runs show that, by and large, a satisfactory performance of the classification scheme of up to 90 % accuracy is achieved, providing a proof-of-concept viability that the proposed scheme is a feasible, practical, and convenient tool for herbal classification. The scheme is implemented in the form of a packaged Python code, dubbed the "Collective Voting" (CV) package, which is easily scalable, maintained and used in practice.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  15. Al-Alwani MAM, Ludin NA, Mohamad AB, Kadhum AAH, Mukhlus A
    Spectrochim Acta A Mol Biomol Spectrosc, 2018 Mar 05;192:487-498.
    PMID: 29133132 DOI: 10.1016/j.saa.2017.11.018
    The natural dyes anthocyanin and chlorophyll were extracted from Musa acuminata bracts and Alternanthera dentata leaves, respectively. The dyes were then applied as sensitizers in TiO2-based dye-sensitized solar cells (DSSCs). The ethanol extracts of the dyes had maximum absorbance. High dye yields were obtained under extraction temperatures of 70 to 80°C, and the optimal extraction temperature was approximately 80°C. Moreover, dye concentration sharply decreased under extraction temperatures that exceeded 80°C. High dye concentrations were obtained using acidic extraction solutions, particularly those with a pH value of 4. The DSSC fabricated with anthocyanin from M. acuminata bracts had a conversion efficiency of 0.31%, short-circuit current (Isc) of 0.9mA/cm2, open-circuit voltage (Voc) of 0.58V, and fill factor (FF) of 62.22%. The DSSC sensitized with chlorophyll from A. dentata leaves had a conversion efficiency of 0.13%, Isc of 0.4mA/cm-2,Voc of 0.54V, and FF of 67.5%. The DSSC sensitized with anthocyanin from M. acuminata bracts had a maximum incident photon-to-current conversion efficiency of 42%, which was higher than that of the DSSC sensitized with chlorophyll from A. dentata leaves (23%). Anthocyanin from M. acuminata bracts exhibited the best photosensitization effects.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  16. Halimah MK, Ami Hazlin MN, Muhammad FD
    Spectrochim Acta A Mol Biomol Spectrosc, 2018 Apr 15;195:128-135.
    PMID: 29414569 DOI: 10.1016/j.saa.2017.12.054
    A series of glass samples with chemical formula {[(TeO2)0.7(B2O3)0.3]0.7(ZnO)0.3}1-x(Dy2O3)xwhere x=0.01, 0.02, 0.03, 0.04 and 0.05M fraction were synthesized through conventional melt-quenching method. The most common way to fabricate a glass material is by fusion of two or more component oxides followed by their quenching. This technique is known as melt-quenching technique. Kaur et al. (2016) [1] highlighted that the melt-quenching method able to enhance the mechanical properties like hardness and flexural strength of the material. The nature of the glass systems is proven to be amorphous based on the XRD pattern. The FTIR spectra of the glass systems confirm the existence of five bands which are assigned for the BO4, BO3,TeO4and TeO3vibrational groups. The density of the glass systems is increased with the addition of Dy2O3while the molar volume is found to be inversely proportional to the density of the proposed glass. The optical properties of the glasses are determined through the absorption spectra obtained from the UV-VIS spectrophotometer. From the absorption spectra, the indirect and direct optical band gaps and the Urbach energy are found to be inversely proportional to each other. As the molar fraction of the Dy2O3increased, the optical band gaps are observed to increase as opposed to the Urbach energy. For this glass system, the values of refractive index, electronic polarizability, oxide ion polarizability and the optical basicity are found to decrease as the addition of the dysprosium oxide is increased. From the emission spectra, two intense blue and yellow emission bands are observed, which correspond to the4F9/2→6H15/2and4F9/2→6H13/2transitions of Dy3+ions respectively. The CIE chromaticity coordinates of the zinc borotellurite glass systems are found to be located in the white light region.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  17. Jingying C, Baocai L, Ying C, Wujun Z, Yunqing Z, Yingzhen H, et al.
    PMID: 37625275 DOI: 10.1016/j.saa.2023.123229
    Dioscorea oppositifolia is an important crop and functional food. D. oppositifolia tuber is often adulterated with D. persimilis, D. alata, and D. fordii tuber in the commercial market. This study proposed an integrated Fourier transform infrared spectroscopy (FT-IR) with chemometric approach to differentiate these four Dioscorea species. A total of 107 Dioscorea spp. tuber samples were collected from different locations in China. Principal Component Analysis (PCA), PCA-Class, and Orthogonal Partial Least Square Discriminant Analysis (OPLS-DA) were utilised to classify the FT-IR spectra. In this PCA is unable to differentiate the Dioscorea spp. tuber effectively. However, PCA-Class and OPLS-DA can distinguish spp. these 4 species Dioscorea tuber with high accuracy, sensitivity, and specificity. Additionally, the RMSEE, RMSEP and RMSECV values for OPLS-DA model were low, showing that it is a good model. The combination of FT-IR with the PCA-Class and OPLS-DA is practical in discriminating Dioscorea spp. tubers.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  18. Rezayi M, Heng LY, Kassim A, Ahmadzadeh S, Abdollahi Y, Jahangirian H
    Sensors (Basel), 2012;12(7):8806-14.
    PMID: 23012518
    Novel ionophores comprising various hydroxide and amine structures were immobilized onto poly(vinyl chloride) (PVC) matrices, and these were examined to determine Ti(III) selectivity. To predict the selectivity of Ti(III), a PVC membrane was used to investigate the binding of Ti(III) to c-methylcalix[4]resorcinarene (CMCR). The study showed that the chelating ligand, CMCR, was coordinated selectively to Ti(III) at eight coordination sites involving the oxygen atoms at the interface of the membrane/solution. The membrane was prepared, based on CMCR as an ionophore, sodium tetrakis(4-fluorophenyl) borate (NaTFPB) as a lipophilic ionic additive, and dioctylphthalate (DOP) as a plasticizer. The immobilization of the ionophore and surface characterization studies revealed that the performance of CMCR-immobilized PVC was equivalent to that of mobile ionophores in supported liquid membranes (SLMs). The strengths of the ion-ionophore (CMCR-Ti(OH)(OH(2))(5) (2+)) interactions and the role of ionophores on membranes were studied via UV-Vis, Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM) and and X-ray diffraction (XRD).
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  19. Zakaria A, Shakaff AY, Masnan MJ, Ahmad MN, Adom AH, Jaafar MN, et al.
    Sensors (Basel), 2011;11(8):7799-822.
    PMID: 22164046 DOI: 10.3390/s110807799
    The major compounds in honey are carbohydrates such as monosaccharides and disaccharides. The same compounds are found in cane-sugar concentrates. Unfortunately when sugar concentrate is added to honey, laboratory assessments are found to be ineffective in detecting this adulteration. Unlike tracing heavy metals in honey, sugar adulterated honey is much trickier and harder to detect, and traditionally it has been very challenging to come up with a suitable method to prove the presence of adulterants in honey products. This paper proposes a combination of array sensing and multi-modality sensor fusion that can effectively discriminate the samples not only based on the compounds present in the sample but also mimic the way humans perceive flavours and aromas. Conversely, analytical instruments are based on chemical separations which may alter the properties of the volatiles or flavours of a particular honey. The present work is focused on classifying 18 samples of different honeys, sugar syrups and adulterated samples using data fusion of electronic nose (e-nose) and electronic tongue (e-tongue) measurements. Each group of samples was evaluated separately by the e-nose and e-tongue. Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were able to separately discriminate monofloral honey from sugar syrup, and polyfloral honey from sugar and adulterated samples using the e-nose and e-tongue. The e-nose was observed to give better separation compared to e-tongue assessment, particularly when LDA was applied. However, when all samples were combined in one classification analysis, neither PCA nor LDA were able to discriminate between honeys of different floral origins, sugar syrup and adulterated samples. By applying a sensor fusion technique, the classification for the 18 different samples was improved. Significant improvement was observed using PCA, while LDA not only improved the discrimination but also gave better classification. An improvement in performance was also observed using a Probabilistic Neural Network classifier when the e-nose and e-tongue data were fused.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods
  20. Ulianas A, Heng LY, Ahmad M
    Sensors (Basel), 2011;11(9):8323-38.
    PMID: 22164078 DOI: 10.3390/s110908323
    New acrylic microspheres were synthesised by photopolymerisation where the succinimide functional group was incorporated during the microsphere preparation. An optical biosensor for urea based on reflectance transduction with a large linear response range to urea was successfully developed using this material. The biosensor utilized succinimide-modified acrylic microspheres immobilized with a Nile blue chromoionophore (ETH 5294) for optical detection and urease enzyme was immobilized on the surface of the microspheres via the succinimide groups. No leaching of the enzyme or chromoionophore was observed. Hydrolysis of the urea by urease changes the pH and leads to a color change of the immobilized chromoionophore. When the color change was monitored by reflectance spectrophotometry, the linear response range of the biosensor to urea was from 0.01 to 1,000 mM (R2 = 0.97) with a limit of detection of 9.97 μM. The biosensor response showed good reproducibility (relative standard deviation = 1.43%, n = 5) with no interference by major cations such as Na+, K+, NH4+ and Mg2+. The use of reflectance as a transduction method led to a large linear response range that is better than that of many urea biosensors based on other optical transduction methods.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
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