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  1. Chidan Kumar CS, Panicker CY, Fun HK, Mary YS, Harikumar B, Chandraju S, et al.
    PMID: 24607470 DOI: 10.1016/j.saa.2014.01.145
    2-(4-Chlorophenyl)-2-oxoethyl 3-nitrobenzoate is synthesized by reacting 4-chlorophenacyl bromide with 3-nitrobenzoic acid using a slight excess of potassium or sodium carbonate in DMF medium at room temperature. The structure of the compound was confirmed by IR and single-crystal X-ray diffraction studies. FT-IR spectrum of 2-(4-chlorophenyl)-2-oxoethyl 3-nitrobenzoate was recorded and analyzed. The crystal structure is also described. The vibrational wavenumbers were computed using HF and DFT methods and are assigned with the help of potential energy distribution method. The first hyperpolarizability and infrared intensities are also reported. The geometrical parameters of the title compound obtained from XRD studies are in agreement with the calculated (DFT) values. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The HOMO and LUMO analysis are used to determine the charge transfer within the molecule. MEP was performed by the DFT method.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared*
  2. Rohman A, Man YB, Riyanto S
    Phytochem Anal, 2011 Sep-Oct;22(5):462-7.
    PMID: 22033916 DOI: 10.1002/pca.1304
    Red fruit (Pandanus conoideus Lam) is endemic plant of Papua, Indonesia and Papua New Guinea. The price of its oil (red fruit oil, RFO) is 10-15 times higher than that of common vegetable oils; consequently, RFO is subjected to adulteration with lower price oils. Among common vegetable oils, canola oil (CaO) and rice bran oil (RBO) have similar fatty acid profiles to RFO as indicated by the score plot of principal component analysis; therefore, CaO and RBO are potential adulterants in RFO.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods*
  3. 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
  4. Kamarudin, K.S.N., Chieng, Y.Y., Hamdan, H., Mat, H.
    ASM Science Journal, 2008;2(1):35-44.
    MyJurnal
    The importance of zeolite surface area and pore volume in adsorption processes has been much reported in literature. In addition to that, structural framework and pore network system may also influence the adsorption capacity and selectivity of methane on zeolite. This paper discusses the characteristics of methane adsorption based on several physical properties of the adsorbents such as surface area, pore volume, pore network system and its interaction with adsorbate. The study, using FTIR spectroscopy showed that the adsorbed methane at room temperature was detected in the FTIR region between 3200 cm–1 – 1200 cm–1. Based on the physical properties of the adsorbents and the FTIR spectra of adsorbed methane, the surface area was not the only factor that determined methane adsorption; in fact the type of pore network system of the adsorbent also affected the interaction, thus affecting the adsorption of methane in zeolite.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  5. 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
  6. Muhammad Jefri Mohd Yusof, Nur Aidasyakirah Mohd Tahir, Fazira Firdaus, Siti Fairus M. Yusoff
    Sains Malaysiana, 2018;47:2055-2061.
    Getah asli cecair (LNR) dihasilkan daripada proses penyahpolimeran getah asli yang menghasilkan rantaian polimer
    lebih pendek dan berat molekular kurang daripada 105
    . Namun, LNR masih mempamerkan tahap degradasi dan ketahanan
    termal yang rendah seperti getah asli, disebabkan oleh kehadiran ikatan karbon ganda dua pada rantaian polimer.
    Dalam kajian ini, penurunan diimida menggunakan pengoksidaan hidrazin hidrat dengan hidrogen peroksida dijalankan
    untuk menghidrogenkan unit tidak tepu LNR. LNR terhidrogen (HLNR) dicirikan menggunakan spektrometer infra-merah
    (FTIR) dan spektrometer resonans magnetik nuklear (NMR). Pengoptimuman parameter tindak balas dilakukan dengan
    memanipulasi parameter masa dan suhu tindak balas berdasarkan kaedah rangsangan permukaan (RSM) dengan
    5-aras-2-faktor reka bentuk komposit putaran tengah (CCRD). Satu model kuadratik yang signifikan telah dihasilkan
    untuk menghubungkan dua parameter tersebut dengan nilai R2 adalah 0.9986, menunjukkan bahawa model yang terhasil
    adalah sangat sepadan dengan data uji kaji. Keputusan kajian menunjukkan bahawa peratus penghidrogenan boleh
    ditingkatkan sehingga 91.2%. Seterusnya, berdasarkan RSM, parameter yang optimum bagi penurunan diimida LNR ini
    didapati pada suhu 55.9o
    C selama 6.7 jam, menghasilkan 80.2% HLNR. Kajian ini telah menunjukkan reka bentuk uji kaji
    secara statistik yang novel bagi menghidrogenkan LNR. Pelbagai variasi peratus penghidrogenan produk HLNR dalam
    kajian ini menyumbang kepada lebih banyak aplikasi produk yang memerlukan peratusan ketepuan unit yang tertentu.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  7. Darfizzi Derawi, Jumat Salimon
    Sains Malaysiana, 2011;40:1123-1127.
    Kajian pengoptimuman tindak balas pengepoksidaan minyak sawit olein (POo) dengan menggunakan mangkin asid performik (HCOOOH) telah dijalankan. Kesan tindak balas terhadap nisbah kepekatan HCOOH : H2O2 dan masa tindak balas telah dikaji pada suhu 45oC. Kandungan oksigen oksirana (OOC) optimum sebanyak 3.61% diperoleh dengan menggunakan nisbah mol 1 : 5 : 2 pada 150 min dan sebanyak 96.5% penukaran dapat dicapai. Hasil tindak balas adalah sebanyak 91.3%. Puncak kromatografi cecair berprestasi tinggi (HPLC) bagi minyak sawit olein terepoksida (EPOo) telah berubah sepenuhnya berbanding puncak HPLC POo. Spektrum transformasi Fourier infra-merah (FTIR) telah menunjukkan kehadiran puncak ikatan gelang oksirana pada 844 cm-1.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  8. Sharifah Nabihah Syed Jaafar, Sarani Zakaria, Rozaidi Rasid, Nurul Ain Zulkifli, Ali Ahmadzadeh
    Proses pencecairan lignin soda telah dilakukan dengan menggunakan fenol dengan nisbah 1:3. Proses dilakukan selama 90 minit pada suhu 130oC dalam keadaan refluk. Hasil pencecairan iaitu pemfenolan lignin (PL) telah dianalisis dengan Spektrometer Inframerah Transformasi Fourier (FTIR), reometer dan analisis termogravimetri (TGA). Sampel yang disintesis dengan menggunakan asid hidroklorik sebagai mangkin memberikan keputusan yang terbaik. Analisis FTIR menunjukkan kehadiran kumpulan berfungsi yang signifikan seperti gelang aromatik, alkohol dan karbonil. Kesemua sampel PL mematuhi persamaan Arhenius dan bersifat pseudo-plastik. Peratus kehilangan berat sampel dan kadar penguraian sampel PL dipengaruhi oleh jenis mangkin yang digunakan. Sampel PL yang disintesis dikelaskan sebagai biopolimer resin fenolik.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  9. Yusof NA, Isha A, Ismail IS, Khatib A, Shaari K, Abas F, et al.
    J. Sci. Food Agric., 2015 Sep;95(12):2533-43.
    PMID: 25371390 DOI: 10.1002/jsfa.6987
    The metabolite changes in three germplasm accessions of Malaysia Andrographis paniculata (Burm. F.) Nees, viz. 11265 (H), 11341 (P) and 11248 (T), due to their different harvesting ages and times were successfully evaluated by attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy and translated through multivariate data analysis of principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). This present study revealed the feasibility of ATR-FTIR in detecting the trend changes of the major metabolites - andrographolide and neoandrographolide - functional groups in A. paniculata leaves of different accessions. The harvesting parameter was set at three different ages of 120, 150 and 180 days after transplanting (DAT) and at two different time sessions of morning (7:30-10:30 am) and evening (2:30-5.30 pm).
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods
  10. Choong YK, Chen X, Jamal JA, Wang Q, Lan J
    Int J Med Mushrooms, 2012;14(3):295-305.
    PMID: 22577979
    Spaceflight represents a complex environmental condition. Space mutagenesis breeding has achieved marked results over the years. The objective of this study is to determine the chemical changes in medicinal mushroom Ganoderma lucidum cultivated after spaceflight in 1999. Fourier transform infrared (FTIR) and two-dimensional infrared (2DIR) correlation spectroscopy were used in analysis. The sample Sx and its control Cx showed the least dissimilarities in one-dimensional FTIR spectra, but absorbance of Sx is twice as high as Cx. Sx presented a clear peak at 1648 cm in 2nd derivative spectra, which could not be detected in the Cx. The 2DIR spectra showed the intensity of Sx in the range 1800-1400 cm-1 for protein is higher than the control. The sample Sx produced some carbohydrate peaks in the area of 889 cm-1 compared with the Cx. The spaceflight set up an extreme condition and caused changes of chemical properties in G. lucidum strain.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared*
  11. Kadir MF, Aspanut Z, Majid SR, Arof AK
    PMID: 21237698 DOI: 10.1016/j.saa.2010.12.051
    Fourier transform infrared (FTIR) spectroscopy studies of poly(vinyl alcohol) (PVA), and chitosan polymer blend doped with ammonium nitrate (NH(4)NO(3)) salt and plasticized with ethylene carbonate (EC) have been performed with emphasis on the shift of the carboxamide, amine and hydroxyl bands. 1% acetic acid solution was used as the solvent. It is observed from the chitosan film spectrum that evidence of polymer-solvent interaction can be observed from the shifting of the carboxamide band at 1660 cm(-1) and the amine band at 1591 cm(-1) to 1650 and 1557 cm(-1) respectively and the shift of the hydroxyl band from 3377 to 3354 cm(-1). The hydroxyl band in the spectrum of PVA powder is observed at 3354 cm(-1) and is observed at 3343 cm(-1) in the spectrum of the PVA film. On addition of NH(4)NO(3) up to 30 wt.%, the carboxamide, amine and hydroxyl bands shifted from 1650, 1557 and 3354 cm(-1) to 1642, 1541 and 3348 cm(-1) indicating that the chitosan has complexed with the salt. In the PVA-NH(4)NO(3) spectrum, the hydroxyl band has shifted from 3343 to 3272 cm(-1) on addition of salt from 10 to 30 wt.%. EC acts as a plasticizing agent since there is no shift in the bands as observed in the spectrum of PVA-chitosan-EC films. The mechanism of ion migration is proposed for the plasticized and unplasticized PVA-chitosan-NH(4)NO(3) systems. In the spectrum of PVA-chitosan-NH(4)NO(3)-EC complex, the doublet CO stretching in EC is observed in the vicinity 1800 and 1700. This indicates that there is some interaction between the salt and EC.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods*
  12. Ch'ng HY, Ahmed OH, Majid NM
    ScientificWorldJournal, 2011;11:532-45.
    PMID: 21403973 DOI: 10.1100/tsw.2011.54
    Logging and poor shifting cultivation negatively affect initial soil carbon (C) storage, especially at the initial stage of deforestation, as these practices lead to global warming. As a result, an afforestation program is needed to mitigate this problem. This study assessed initial soil C buildup of rehabilitated forests using Fourier transform infrared (FTIR) spectroscopy. The relatively high E4/E6 values of humic acids (HAs) in the rehabilitated forest indicate prominence of aliphatic components, suggesting that the HAs were of low molecular weight. The total acidity, carboxylic (-COOH) and phenolic (-OH) of the rehabilitated forest were found to be consistent with the ranges reported by other researchers. The spectra of all locations were similar because there was no significant difference in the quantities of C in humic acids (CHA) regardless of forest age and soil depth. The spectra showed distinct absorbance at 3290, 1720, 1630, 1510, 1460, 1380, and 1270 cm-1. Increase of band at 1630 and 1510 cm-1 from 0-20 to 40-60 cm were observed, suggesting C buildup from the lowest depths 20-40 and 40-60 cm. However, the CHA content in the soil depths was not different. The band at 1630 cm-1 was assigned to carboxylic and aromatic groups. Increase in peak intensity at 1510 cm-1 was because C/N ratio increased with increasing soil depth. This indicates that decomposition rate decreased with increasing soil depth and decreased with CHA. The finding suggests that FTIR spectroscopy enables the assessment of C composition functional group buildup at different depths and ages.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods*
  13. Sim LH, Gan SN, Chan CH, Yahya R
    Spectrochim Acta A Mol Biomol Spectrosc, 2010 Aug;76(3-4):287-92.
    PMID: 20444642 DOI: 10.1016/j.saa.2009.09.031
    The interaction behaviours between components of polyacrylate (PAc)/poly(ethylene oxide) (PEO) and lithium perchlorate (LiClO(4)) were investigated in detail by Attenuated Total Reflectance (ATR)-Fourier Transformed Infrared (FTIR) spectroscopy. Solution cast films of the PAc/PEO and PAc/PEO/LiClO(4) were examined. No obvious shifting of the characteristic ether and ester group stretching modes of PEO and PAc was observed, indicating incompatibility of the binary PAc/PEO blend. The spectroscopic studies on the PAc/PEO/LiClO(4) blends reveal that Li(+) ions coordinate individually to the polymer components at the ether oxygen of PEO and the C-O of the ester group of PAc. Frequency changes observed on the nu(C-O-C) and omega(CH(2)) of PEO confirm the coordination between PEO and Li(+) ions resulting in crystallinity suppression of PEO. The absence of experimental evidence on the formation of PEO-Li(+)-PAc complexes suggests that LiClO(4) does not enhance the compatibility of PAc/PEO blend.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared*
  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: Spectroscopy, Fourier Transform Infrared/methods*
  15. Mirghani ME, Che Man YB, Jinap S, Baharin BS, Bakar J
    Phytochem Anal, 2002 Jul-Aug;13(4):195-201.
    PMID: 12184171
    A simple and rapid Fourier transform infrared (FTIR) spectroscopic method has been developed for the quantitative determination of malondialdehyde as secondary oxidation product in a palm olein system. The FTIR method was based on a sodium chloride transmission cell and utilised a partial least square statistical approach to derive a calibration model. The frequency region combinations that gave good calibration were 2900-2800, and 1800-1600 cm-1. The precision and accuracy, in the range 0-60 mumol malondialdehyde/kg oil, were comparable to those of the modified distillation method with a coefficient of determination (r2) of 0.9891 and standard error of calibration of 1.49. The calibration was cross-validated and produced an r2 of 0.9786 and standard error of prediction of 2.136. The results showed that the FTIR method is versatile, efficient and accurate, and suitable for routine quality control analysis with the result obtainable in about 2 min from a sample of less than 2 mL.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared/methods*
  16. 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
  17. 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: Spectroscopy, Fourier Transform Infrared
  18. Hosseini S, Azari P, Jiménez-Moreno MF, Rodriguez-Garcia A, Pingguan-Murphy B, Madou MJ, et al.
    Sensors (Basel), 2017 Oct 09;17(10).
    PMID: 28991214 DOI: 10.3390/s17102292
    In this article, a combination of far field electrospinning (FFES) and free-radical polymerization has been used to create a unique platform for protein immobilization via the physical attachment of biomolecules to the surface of the fiber mats. The large specific surface area of the fibers with its tailored chemistry provides a desirable platform for effective analyte-surface interaction. The detailed analysis of protein immobilization on a newly developed bio-receptive surface plays a vital role to gauge its advantages in bio-diagnostic applications. We relied on scanning electron microscopy (SEM), diameter range analysis, and X-ray photoelectron spectroscopy (XPS), along with thermal gravimetric analysis (TGA), water-in-air contact angle analysis (WCA), Fourier transform infrared spectroscopy (FTIR), and atomic force microscopy (AFM) to study our developed platforms and to provide valuable information regarding the presence of biomolecular entities on the surface. Detailed analyses of the fiber mats before and after antibody immobilization have shown obvious changes on the surface of the bioreceptive surface including: (i) an additional peak corresponding to the presence of an antibody in TGA analysis; (ii) extra FTIR peaks corresponding to the presence of antibodies on the coated fiber platforms; and (iii) a clear alteration in surface roughness recorded by AFM analysis. Confirmation analyses on protein immobilization are of great importance as they underlay substantial grounds for various biosensing applications.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  19. Sasidharan S, Darah I, Jain K
    The effect of season on yield and quality of organic solvent extracts from Gracilaria changii was determined. The sustainability of the bioactive compound of G. changii from Malaysia was investigated by using the TLC and FTIR standards methods. Studies was carried out to examine the sustainability of the bioactive compound in the various extract obtained from G. changii collected from Pantai Morib, Beach Selangor Malaysia on bimonthly for a period of one year in 2003. This study revealed that the bioactive compounds was present all over the year but with different quantities. In general the variation in yield or quantities of bioactive compound was related to environment. G. changii can be considered a candidate for drug development since it retained the number of bioactive compound.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
  20. Ooi SY, Ishak Ahmad, Mohd Cairul Iqbal Mohd Amin
    Sains Malaysiana, 2015;44:793-799.
    In this research, a novel method was performed to obtain hydrogel with superior thermal stability by incorporation
    of cellulose nanocrystals (CNC) into gelatin based hydrogel. Glutaraldehyde was used as cross-linker due to its high
    chemical reactivity towards NH2
    group on gelatin. Different ratio of gelatin/CNC hydrogel was produced in order to study
    the effects of CNC towards the swelling behaviour and thermal stability of gelatin based hydrogel. The obtained hydrogel
    was subjected to Fourier transform infrared (FTIR) to verify that gelatin had been cross-linked, swelling test with different
    pH for swelling behaviour and thermogravimetric analysis (TGA) for thermal stability. The presence of C=N stretching
    group in the FTIR spectrum for gelatin/CNC hydrogel indicated that the cross-linking reaction between gelatin monomer
    had been successfully carried out. The hydrogel showed impressive pH sensitivity and maximum swelling was obtained
    at pH3. The TGA results clearly showed that the incorporation of CNC into gelatin was able to produce hydrogel with
    higher thermal stability compare to neat gelatin.
    Matched MeSH terms: Spectroscopy, Fourier Transform Infrared
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