<?xml version="1.0" encoding="UTF-8"?><!DOCTYPE article  PUBLIC "-//NLM//DTD Journal Publishing DTD v3.0 20080202//EN" "http://dtd.nlm.nih.gov/publishing/3.0/journalpublishing3.dtd"><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" dtd-version="3.0" xml:lang="en" article-type="research article"><front><journal-meta><journal-id journal-id-type="publisher-id">IJOC</journal-id><journal-title-group><journal-title>International Journal of Organic Chemistry</journal-title></journal-title-group><issn pub-type="epub">2161-4687</issn><publisher><publisher-name>Scientific Research Publishing</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.4236/ijoc.2017.74026</article-id><article-id pub-id-type="publisher-id">IJOC-80426</article-id><article-categories><subj-group subj-group-type="heading"><subject>Articles</subject></subj-group><subj-group subj-group-type="Discipline-v2"><subject>Biomedical&amp;Life Sciences</subject><subject> Chemistry&amp;Materials Science</subject></subj-group></article-categories><title-group><article-title>
 
 
  Chemometric Resolution for Baseline Identification of &lt;i&gt;Amomum subulatum&lt;/i&gt; Roxb. Essential Oils through FT-IR Spectroscopy Technique
 
</article-title></title-group><contrib-group><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Arvind</surname><given-names>K. Bhandari</given-names></name><xref ref-type="aff" rid="aff1"><sup>1</sup></xref><xref ref-type="corresp" rid="cor1"><sup>*</sup></xref></contrib><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Mamta</surname><given-names>Baunthiyal</given-names></name><xref ref-type="aff" rid="aff2"><sup>2</sup></xref></contrib><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Vinod</surname><given-names>K. Bisht</given-names></name><xref ref-type="aff" rid="aff1"><sup>1</sup></xref></contrib><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Jagdiesh</surname><given-names>C. Kaim</given-names></name><xref ref-type="aff" rid="aff1"><sup>1</sup></xref></contrib><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Bir</surname><given-names>S. Negi</given-names></name><xref ref-type="aff" rid="aff3"><sup>3</sup></xref></contrib></contrib-group><aff id="aff3"><addr-line>Department of Horticulture, Government of Uttarakhand, Circuit House, Dehradun, India</addr-line></aff><aff id="aff2"><addr-line>Department of Biotechnology, G.B. Pant Engineering College, Pauri-Garhwal, India</addr-line></aff><aff id="aff1"><addr-line>Herbal Research and Development Institute, Gopeshwar, India</addr-line></aff><author-notes><corresp id="cor1">* E-mail:<email>arvindbhandari2001@yahoo.co.in(AKB)</email>;</corresp></author-notes><pub-date pub-type="epub"><day>25</day><month>10</month><year>2017</year></pub-date><volume>07</volume><issue>04</issue><fpage>319</fpage><lpage>324</lpage><history><date date-type="received"><day>19,</day>	<month>June</month>	<year>2017</year></date><date date-type="rev-recd"><day>17,</day>	<month>November</month>	<year>2017</year>	</date><date date-type="accepted"><day>20,</day>	<month>November</month>	<year>2017</year></date></history><permissions><copyright-statement>&#169; Copyright  2014 by authors and Scientific Research Publishing Inc. </copyright-statement><copyright-year>2014</copyright-year><license><license-p>This work is licensed under the Creative Commons Attribution International License (CC BY). http://creativecommons.org/licenses/by/4.0/</license-p></license></permissions><abstract><p>
 
 
  Essential oil of 
  Amomum subulatum is the complex mixture of various alkyl, alkanes, sulfonates, amines, alcohols, sulfoxides, 
  trans RCH≡CHR and aromatic bending compounds. The FT-IR analysis of aromatic bending occurs on 845 cm
  <sup>-1</sup> with 
  para C-H bend. A strong absorption band between 900 cm
  <sup>-1</sup> - 675 cm
  <sup>-1</sup> indicated the presence of aromatic C=C. The alcoholic stretching detected on 1080 cm
  <sup>-1</sup>
  <sub> </sub>and 1169 cm
  <sup>-1</sup> with C-O stretching molecular motion in large cardamom. In our investigation, the frequency of 2943 cm
  <sup>-1</sup> and 2934 cm
  <sup>-1</sup> the C-H stretching occurred in alkyl group. The wave numbers of bands 2966 (C=CH
  <sub>2</sub>), 1358 (S=O Stretch), 1215 (C-N Stretch), 1053 (S=O Stretch) and 984 (C-H Bending) the functional group specify vinyl, sulfonates, amines, sulfoxides and 
  trans RCH-CHR, respectively.
 
</p></abstract><kwd-group><kwd>Essential Oil</kwd><kwd> 1</kwd><kwd>8 Cineole</kwd><kwd> FTIR</kwd><kwd> Spectra</kwd></kwd-group></article-meta></front><body><sec id="s1"><title>1. Introduction</title><p>Amomum subulatum Roxb. belongs to the family Zingiberaceae is well adopted to cultivation in the hilly areas of Uttarakhand, India [<xref ref-type="bibr" rid="scirp.80426-ref1">1</xref>] and other states such as Sikkim, West Bengal [<xref ref-type="bibr" rid="scirp.80426-ref2">2</xref>] . It is mainly cultivated as spice however, also possesses several medicinal properties such as carminative, stomachic, diuretic and cardiac stimulant [<xref ref-type="bibr" rid="scirp.80426-ref1">1</xref>] . The essential oil yield was reported to be between 2.5% to 3% for the cardamom grown in different agro-climatic regions of Uttarakhand [<xref ref-type="bibr" rid="scirp.80426-ref1">1</xref>] , which contains 31 compounds with 1,8 Cineole as major compound.</p><p>Terpenoids, aldehydes, ketones, alcohols and esters were the main compounds present in essential oil. Several methods have been developed for the isolation and identification of compounds present in the essential oil such as Supercritical Carbon Dioxide Extraction (SCDE), Gas Chromatography Mass Spectrometer (GC-MS) and Fourier Transform Infra Red Spectroscopy (FT-IR). FT-IT is a technique through which the functional group presents was determined through comparing the vibration frequencies in wave numbers of the sample spectrograph with those of the IR correlation chart [<xref ref-type="bibr" rid="scirp.80426-ref3">3</xref>] . Identification through FT-IR technique is an advanced chemometric resolution technique through which primary identification of compounds present in essential oil has become possible. Furthermore, this technique is also used for the analysis of unresolved peaks using multivariate curve resolution [<xref ref-type="bibr" rid="scirp.80426-ref4">4</xref>] .</p><p>Keeping this in view, the present study was designed to identify the presence of 1,8 Cineole in the A. subulatum essential oil grown in different agro-climatic regions of Uttarakhand, India. This is the base-line information on presence of 1,8 Cineole in A. subulatum essential oil.</p></sec><sec id="s2"><title>2. Material and Methods</title><sec id="s2_1"><title>2.1. Collection and Identification of Plant Materials</title><p>The capsule of the large cardamom was collected during the month of October-November from different agro-climatic regions of Uttarakhand viz. Guhad (Chamoli), Kwiti (Pithoragarh), Lamgarha (Almora), Mandal (Chamoli), Parkandi (Rudraprayag), Sema (Tehri) and Singot (Uttarakashi). The plant was identified by Botanical Survey of India, Dehradun, India with the Accession number 117,262.</p></sec><sec id="s2_2"><title>2.2. Oil Extraction</title><p>The dried whole capsules were subjected to hydro-distillation for extraction of essentials oils using Clevenger apparatus for 6 hours at a temperature of 90˚C. The collected concentrated oil was then subjected to anhydrous sodium sulphate to remove the moisture contents and then stored at 4˚C for further analysis.</p></sec><sec id="s2_3"><title>2.3. Standard Solution</title><p>Pure standard compound of 1,8-cineole (MF C<sub>10</sub>H<sub>18</sub>O, MW 154.3 g/mol, Assay 98%) was purchased from HWI Analytik, Germany.</p></sec><sec id="s2_4"><title>2.4. Fourier Transforms Infrared Spectroscopy (FT-IR) Technique</title><p>The ATR-FT-IR spectra were recorded in a range between 8500 - 485 cm<sup>−1</sup> using a FT-IR (Make: Horizon MB, spectrometer and detector; Model 114,690 - 131,082, TGS, apodization Cosine, Make-Horizon MS and S.No-1405772-001). Essential oil 5 - 10 ml was placed on the surface of the diamond ATR crystal. The spectral data were processed with Horizon MB Spectra software. Samples were scanned at 4 cm<sup>−1</sup> resolution, accumulation: 100 scans.</p></sec></sec><sec id="s3"><title>3. Results and Discussions</title><p>The structure of 1,8 Cineole is provided in <xref ref-type="fig" rid="fig1">Figure 1</xref>. The FT-IR analysis of the essential oil of A. subulatum revealed the presence of different functional group such as, alkyl, vinyl, alkanes, sulfonates, amines, alcohol and sulfoxides (<xref ref-type="table" rid="table1">Table 1</xref>, <xref ref-type="fig" rid="fig2">Figure 2</xref>). The functional groups present in essential oil were determined through evaluating the vibration frequencies in wave numbers of the sample spectrograph obtained from FT-IR spectrophotometer with those of a correlation with IR table. The vibration frequencies of the solvent were also obtained to aid in the determination of sample vibration frequencies. The saturated hydrocarbon C-H stretching absorption occurs below 3000 cm<sup>−1</sup>. The alcoholic stretching detected on 1080 cm<sup>−1</sup><sub> </sub>and 1169 cm<sup>−1</sup> with C-O stretching molecular motion in large cardamom. The position of the C=C stretching frequency does vary</p><table-wrap id="table1" ><label><xref ref-type="table" rid="table1">Table 1</xref></label><caption><title> Wave number of band with molecular motion in vibration assignments for oils essential oils of A. subulatum (Roxb.</title></caption><table><tbody><thead><tr><th align="center" valign="middle" >Wave number of bands (cm<sup>−1</sup>)</th><th align="center" valign="middle" >Molecular motion</th><th align="center" valign="middle" >Functional group</th></tr></thead><tr><td align="center" valign="middle" >2966</td><td align="center" valign="middle" >C=CH<sub>2</sub></td><td align="center" valign="middle" >Vinyl</td></tr><tr><td align="center" valign="middle" >2943</td><td align="center" valign="middle" >C-H Stretch</td><td align="center" valign="middle" >Alkyl</td></tr><tr><td align="center" valign="middle" >2924</td><td align="center" valign="middle" >C-H Stretch</td><td align="center" valign="middle" >Alkyl</td></tr><tr><td align="center" valign="middle" >1377</td><td align="center" valign="middle" >CH<sub>3</sub> Bend</td><td align="center" valign="middle" >Alkanes</td></tr><tr><td align="center" valign="middle" >1358</td><td align="center" valign="middle" >S=O Stretch</td><td align="center" valign="middle" >Sulfonates</td></tr><tr><td align="center" valign="middle" >1215</td><td align="center" valign="middle" >C-N Stretch</td><td align="center" valign="middle" >Amines</td></tr><tr><td align="center" valign="middle" >1169</td><td align="center" valign="middle" >C-O Strong</td><td align="center" valign="middle" >Tertiary alcohol</td></tr><tr><td align="center" valign="middle" >1080</td><td align="center" valign="middle" >C-O Stretch</td><td align="center" valign="middle" >Primary alcohol</td></tr><tr><td align="center" valign="middle" >1053</td><td align="center" valign="middle" >S=O Stretch</td><td align="center" valign="middle" >Sulfoxides</td></tr><tr><td align="center" valign="middle" >984</td><td align="center" valign="middle" >C-H Bending</td><td align="center" valign="middle" >trans RCH≡CHR</td></tr><tr><td align="center" valign="middle" >845</td><td align="center" valign="middle" >C-H Bend (para)</td><td align="center" valign="middle" >Aromatic Bending</td></tr></tbody></table></table-wrap><p>slightly as a function of orientation around the double bond, but it is less informative than the C-H information. Aromatic bending occurs on 845 cm<sup>−1</sup> with para CH bend. A strong absorption band between 900 cm<sup>−1</sup> to 675 cm<sup>−1</sup> indicated the presence of aromatic C=C. The absorbance band at 1377 cm<sup>−1</sup> revealed the presence of CH<sub>3</sub> bond for alkanes. From the spectra we can see clearly that although they show substantial overlap of each absorption spectrum of various components, each band represents an overall overlap of some characteristic absorption peaks of functional groups in the samples. Therefore, FT-IR spectrum reflecting objectively the panorama of chemical constituents in complex system is a most credible method to validate and identify the mix-substance systems such as traditional medicine and herbal medicine [<xref ref-type="bibr" rid="scirp.80426-ref5">5</xref>] . It is observed in present study that the C-H stretching occurred in alkyl group between the frequency of 2943 cm<sup>−1</sup> and 2934 cm<sup>−1</sup>. The wave numbers of bands 2966 (C=CH<sub>2</sub>), 1358 (S=O Stretch), 1215 (C-N Stretch), 1053 (S=O Stretch) and 984 (C-H Bending) the functional group occurs Vinyl, sulfonates, Amines, sulfoxides and trans RCH≡CHR found respectively (<xref ref-type="table" rid="table1">Table 1</xref>, <xref ref-type="fig" rid="fig2">Figure 2</xref>). The result of the FT-IR analysis of essential oil of A. subulatum of seven different sites were found relatively identical for the 1,8 cineole compound (<xref ref-type="fig" rid="fig1">Figure 1</xref>). Earlier studies on essential oil of A. subulatum also revealed the presence of 1,8 cineole as a major compound [<xref ref-type="bibr" rid="scirp.80426-ref1">1</xref>] [<xref ref-type="bibr" rid="scirp.80426-ref5">5</xref>] . Many workers applied the FT-IR spectrum as a tool for differentiating, classifying and discriminating closely related plants and other organisms [<xref ref-type="bibr" rid="scirp.80426-ref6">6</xref>] [<xref ref-type="bibr" rid="scirp.80426-ref7">7</xref>] . Thus, finding of the present work on A. subulatum oils is used as analytical tool to check not only the primary identification of the compounds present in oils but also help in to further examine those compounds for their biological properties.</p></sec><sec id="s4"><title>4. Conclusion</title><p>The results of the present study revealed the presence of 1,8-cineole in all the essential oils analyzed. Vinyl, alkyl, alkanes, sulfonates, amines, alcohols, sulfoxides, trans RCH≡CHR are the other important functional groups identified in the essential oil of A. subulatum grown in different agro-climatic regions of Uttarakhand, India.</p></sec><sec id="s5"><title>Cite this paper</title><p>Bhandari, A.K., Baunthiyal, M., Bisht, V.K., Kaim, J.C. and Negi, B.S. (2017) Chemometric Resolution for Baseline Identification of Amomum subulatum Roxb. Essential Oils through FT-IR Spectroscopy Technique. International Journal of Organic Chemistry, 7, 319-324. https://doi.org/10.4236/ijoc.2017.74026</p></sec></body><back><ref-list><title>References</title><ref id="scirp.80426-ref1"><label>1</label><mixed-citation publication-type="other" xlink:type="simple">Bhandari, A.K., Baunthiyal, M., Bisht, V.K., Negi, B.S. and Kaim, J.C. (2017) Assessment of Intra-Specific Variation in Essential Oil Composition in Amomum subulatum Roxb. Cultivated in Uttarakhand, India. 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