Py GC/MS

The present work aims at studying five Indian coals and their solvent extracted clean coal products using Py-GCMS analysis and correlating the characterization data using theoretical principal component analysis. The pyrolysis products of the original coals and the super clean coals were classified as mono-, di- and tri-aromatics, while other prominent products that were obtained included cycloalkanes, n-alkanes, and alkenes ranging from C10–C29. The principal component analysis is a dimensionality reduction technique that reduced the number of input variables in the characterization dataset and gave inferences on the relative composition of constituent compounds and functional groups and structural insights based on scores and loading plots which were consistent with the experimental observations. ATR-FTIR studies confirmed the reduced concentration of ash in the super clean coals and the presence of aromatics. The Py-GCMS data and the ATR-FTIR spectra led to the conclusion that th...

Amber comprises polymerized plant resins that have a remarkable capacity for survival in a range of geological environments. Most ambers can be traced to coniferous trees and typically combine a broad array of plant natural products including terpenoids, carboxylic acids, and associated alcohols. Because amber may entomb various organisms at the time of production and preserve them with unmatched fidelity, it has been studied for centuries. Despite extensive geochemical profiling of amber‐derived extracts using techniques such as gas‐chromatography mass spectrometry, to date amber compositional variability has not been investigated by time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS). We conducted a series of scans on microtomed surfaces of Baltic and Bitterfeld ambers, representing two of Europe's major deposits, both of Palaeogene age. We exploited authentic standards of mono‐methyl succinate and diterpene resin acids to guide interpretation of the results. The ToF‐SIM...

Objective: To evaluate the anti tumor activity of Coscinium fenestratum extract under in vitro and in vivo conditions. Materials and Methods: The cytotoxic activity of C. fenestratum extract was tested on HeLa cells by MTT assay. The apoptosis-inducing activity of the extract was measured via mitochondtial membrane potential assay, acridine orange and ethidium bromide dual staining method, DNA fragmentation assay and caspase assay. The in vivo antitumor activity of the extract was tested against developed solid tumor in mammalian system. Results: The extract showed significant antiproliferative activity and is dose dependent. The extract treatment clearly showed an increasing number of apoptotic events both in HeLa cells and DLA cells and collapsed the mitochondrial membrane potential and these effects were higher than that of the positive control taxol. The cellular DNA was cleaved in to multiple fragments. Membrane blubbing and nuclear fragmentation was also observed after the extract treatment. C. fenestratum also triggered the release of mitochondrial cytochrome-c and activation of caspases 3 and 9 in HeLa cells, indicative of its apoptotic potential and was found to be highly effective in tumor regression. Conclusions: These finding suggested that the potential antitumor activity of C. fenestratum extract.

Objective: To evaluate the anti tumor activity of Coscinium fenestratum extract under in vitro and in vivo conditions. Materials and Methods: The cytotoxic activity of C. fenestratum extract was tested on HeLa cells by MTT assay. The apoptosis-inducing activity of the extract was measured via mitochondtial membrane potential assay, acridine orange and ethidium bromide dual staining method, DNA fragmentation assay and caspase assay. The in vivo antitumor activity of the extract was tested against developed solid tumor in mammalian system. Results: The extract showed significant antiproliferative activity and is dose dependent. The extract treatment clearly showed an increasing number of apoptotic events both in HeLa cells and DLA cells and collapsed the mitochondrial membrane potential and these effects were higher than that of the positive control taxol. The cellular DNA was cleaved in to multiple fragments. Membrane blebbing and nuclear fragmentation was also observed after the extract treatment. C. fenestratum also triggered the release of mitochondrial cytochrome-c and activation of caspases 3 and 9 in HeLa cells, indicative of its apoptotic potential and was found to be highly effective in tumor regression. Conclusions: These finding suggested that the potential antitumor activity of C. fenestratum extract.

Objective: To evaluate the anti tumor activity of Coscinium fenestratum extract under in vitro and in vivo conditions. Materials and Methods: The cytotoxic activity of C. fenestratum extract was tested on HeLa cells by MTT assay. The apoptosis-inducing activity of the extract was measured via mitochondtial membrane potential assay, acridine orange and ethidium bromide dual staining method, DNA fragmentation assay and caspase assay. The in vivo antitumor activity of the extract was tested against developed solid tumor in mammalian system. Results: The extract showed significant antiproliferative activity and is dose dependent. The extract treatment clearly showed an increasing number of apoptotic events both in HeLa cells and DLA cells and collapsed the mitochondrial membrane potential and these effects were higher than that of the positive control taxol. The cellular DNA was cleaved in to multiple fragments. Membrane blebbing and nuclear fragmentation was also observed after the extract treatment. C. fenestratum also triggered the release of mitochondrial cytochrome-c and activation of caspases 3 and 9 in HeLa cells, indicative of its apoptotic potential and was found to be highly effective in tumor regression. Conclusions: These finding suggested that the potential antitumor activity of C. fenestratum extract.

Pyrolysis bio-oil contains abundant O-containing structures. Carbonyls are particularly important not only because they are abundant and exist in many forms (e.g. as acids, esters, ketones and aldehydes) but also because they are reactive and are a key consideration of bio-oil upgrading. This study aims to investigate the distribution of carbonyl groups in a variety of bio-oil samples prepared from the pyrolysis of mallee wood, bark and leaves in a fluidised-bed reactor. Some bio-oil samples also underwent esterification reactions with methanol in the presence of solid Amberlyst acid catalyst. The bio-oil samples were diluted with isopropanol prior to the acquisition of FT-IR spectra using a CaF 2 liquid cell. The FT-IR spectra of bio-oils in the range of 1490-1850 cm À1 were deconvoluted with 9 Gaussian bands. Our results reveal that the bio-oils from the pyrolysis of wood, bark and leaves of the same mallee tree species had very different concentrations and types of carbonyls, which are related to the contents of hemicellulose, cellulose, lignin and extractives in the wood, bark and leaves. Our study also reveals that the carbonyls in the light and heavy fractions of a bio-oil may react differently during the reactions of bio-oil with methanol in the presence of the Amberlyst solid acid catalyst.

A multi-analytical study on the composition of commercial felt-tip pens commonly used by contemporary artists was carried out. The inks were investigated by the use of complementary analytical techniques, such as μ-Raman spectroscopy, Fourier transform infrared spectroscopy and pyrolysis-gas chromatography-mass spectrometry. The results provided data for the identification of binders, pigments, solvents, and additives. Various synthetic pigments were recognised, such as PV23 and blue phthalocyanines. The binder seems to be mainly based on a styrene-acrylic copolymer in combination with polyamide. In addition, solvents and additives could be efficiently identified. This study illustrates a methodology based on the use of an integrated analytical approach for the characterisation of commercial ink-based artistic media.

ÐSoluble polylabdanoids isolated by sequential solvent extraction have been characterized by liquid-state 13 C-and 1 H NMR and 13 C-1 H HMQC (heteronuclear correlation) NMR spectroscopy in addition to solid-state NMR and Py±GC±MS techniques. Two Holocene resins originating from Santander, Colombia and Mombasa, Kenya were analyzed. Soluble polymers were isolated by extraction with a 1:1 (v/v) methylene chloride±methanol mixture following sequential extractions with methylene chloride and methanol. The molecular weight of polymer extracts was shown by GPC analyses to exceed that of non-polymeric occluded terpenoids. Py±GC±MS, solid-state 13 C CP/MAS and 13 C crosspolarization/depolarization NMR spectroscopy results indicated that chemical compositions of soluble polymers isolated from immature resins are highly representative of the structure of corresponding insoluble polymers, i.e. polylabdatrienes. These data provide evidence for cross-linking or cyclization of side-chain ole®nic carbons during or shortly after polymerization. Generally, the characterization of soluble resin polymers by liquid-state NMR spectroscopy has proven to be an excellent means for investigating the maturation mechanism of polylabdanoid resinites, and has potential for furthering the application of Class I resinites as geothermal indicators.

h i g h l i g h t s Raman analyses of complex pigment composition in artists' and industrial paint on metal support. Comparison between industrially applied paint layers and the artistic paint layers. Investigation of an important collection of Danish cultural history objects. Identification of composite inorganic pigment and synthetic organic pigments (SOPs). Characterization of artists' binding media on metal knight shields.

Pyrolysis bio-oil contains abundant O-containing structures. Carbonyls are particularly important not only because they are abundant and exist in many forms (e.g. as acids, esters, ketones and aldehydes) but also because they are reactive and are a key consideration of bio-oil upgrading. This study aims to investigate the distribution of carbonyl groups in a variety of bio-oil samples prepared from the pyrolysis of mallee wood, bark and leaves in a fluidised-bed reactor. Some bio-oil samples also underwent esterification reactions with methanol in the presence of solid Amberlyst acid catalyst. The bio-oil samples were diluted with isopropanol prior to the acquisition of FT-IR spectra using a CaF 2 liquid cell. The FT-IR spectra of bio-oils in the range of 1490-1850 cm À1 were deconvoluted with 9 Gaussian bands. Our results reveal that the bio-oils from the pyrolysis of wood, bark and leaves of the same mallee tree species had very different concentrations and types of carbonyls, which are related to the contents of hemicellulose, cellulose, lignin and extractives in the wood, bark and leaves. Our study also reveals that the carbonyls in the light and heavy fractions of a bio-oil may react differently during the reactions of bio-oil with methanol in the presence of the Amberlyst solid acid catalyst.

Two paintings, made on aluminium support by Silvio Pasotti (among the major exponents of 1960s Italian pop art) were investigated in a totally non-invasive manner to identify the materials used by the artist. Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), visible reflectance spectroscopy, and spectrofluorimetry with visible excitation were exploited as molecular analysis techniques, which are particularly suitable to recognise also synthetic organic materials, such as pigments and binders. The effectiveness of this multi-analytical approach was demonstrated, leading to the identification of several synthetic organic pigments, both conventional and “special effect” ones, introduced during the first half of the 20th century, as well as some well-established inorganic ones. Combining FTIR results both in the medium and near IR ranges, considerations regarding the binders employed by the artist could also be made, suggesting the use of both nitrocellulose and acryli...

Raman spectroscopy and nonisothermal thermogravimetric analysis (TGA) measurements have been reported for different rank coals (lignite, bituminous coal, and anthracite) and the relationship between the measurements was examined. It was found that the Raman spectra parameters can be used to characterize structure changes in the different rank coals, such as the band area ratios based on the curve-fitted results. Higher ranked coal was found to have higher values of I GR/I All and I (G + GR)/I All but lower values of I D/I (G+GR), I DL/I (G+GR), I (S + SL)/I (G+GR), and I (GL+GL')/I (G+GR). The oxidation properties of the coal samples were characterized by the reactivity indexes T ig, T 20%, and T max from TGA data which were found to correlate well with the band area ratios of I GR/I All, I (G + GR)/I All, and I (S + SL)/I (G+GR). Based on these correlations, the Raman band area ratios were found to correlate with the oxidation activity of coal providing additional structural in...

Coal tar was extracted from Garin Maiganga and Shankodi coals by fixed bed pyrolysis process carried out between 325˚C and 600˚C at heating rate of 10˚C/min and holding time of 30 min. The tar yield determined was 31.95% for Shankodi and 17.02% Garin Maiganga. The obtained coal tar samples have the viscosity of 17.5 and 18.0 cP while the density was 0.9119 and 0.9156 g/cm 3 for Garin Maiganga and Shankodi respectively. The solubility of all the coal samples in solvents such as water, benzene, alcohols, acetone, ether and chloroform is similar to the standard tar. The Gas Chromatography-Mass Spectroscopy (GC-MS) was used to analyse the coal tar components. The analysis result showed that the coal tar contained over 48 chemical compounds for Garin Maiganga and over 50 compounds for Shankodi. Benzo and naphthalene compounds were present in all the coal tar samples and these chemicals have wide industrial application.

Wood extractives are considered commonly of major importance for the wood toxicity. Probably the first step of illness is the penetration of toxic molecules into human corpus, so we examine and compare extractives coming from woods commonly in Morocco industry. We solvate extractives from direct wood powder in water, sodium chloride solution and ringer salt solution. Dry powder of extractives woods are then characterize by IR spectra. We found great correlation between group of IR peaks that limit the independent peaks at five, each of them being characteristics of one or more chemical bonds. Comparing the peaks intensity between the free solvent show a selectivity effect of salts against the chemical bonds present into the extracts.

Fast pyrolysis of water-insoluble (W-I) tannins—mainly composed of condensed tannins—obtained from Pinus radiata bark methanol-water extraction was carried out in pursuit of a renewable source of high-value chemicals, in particular catechols. Micropyrolysis in an isothermal furnace unit (Py-GC–MS/FID) was performed between 450–600 °C. Catechin and W-I tannins were compared to establish thermal degradation behavior between this fraction and its representative monomer constituent. Additionally, W-I tannins were compared with typical sources of renewable phenols such as pine bark and organosolv-lignin in order to highlight its potential. Bench-scale experiments of W-I tannins were performed in a fluidized bed reactor between 400–600 °C to provide information related to yield and concentration of catechols. The Py-GC–MS/FID results showed that W-I tannins are prolific of catechol and 4-methylcatechol, similar to their most abundant monomer constituent catechin. However, W-I tannins are not only composed of condensed tannins and some substituted polycyclic aromatic hydrocarbons, triterpenes and carbohydrate-derived compounds were detected. The comparison of pyrolysis products among the renewable sources of phenols showed that W-I tannins yielded the highest relative content of catechols while guaiacols and carbohydrate-derived compounds predominated in the composition of lignin and bark products, respectively. The optimal pyrolysis-oil yield for bench scale assays (37 wt%) was found at 550 °C and maximum yield of both catechol (4.4 wt%) and 4-methylcatechol (2.3 wt%) were also obtained at 550 °C.

The age of a relatively old document is one of the pending issues to be resolved in the field of forensic documentary examination. Although nowadays there are a variety of analytical methodologies focused in the analysis of inks for dating documents, the paper analysis has attained little attention. This work aims to develop two complementary approaches for estimating the age of documents based on paper analysis employing the pyrolysis technique coupled to gas chromatography with detection by mass spectrometry (Py-GC/MS): (i) a direct approach using the pyrolytic fingerprints and multivariate regression with artificially aged samples, and (ii) an indirect approach based on the identification of compounds characteristic of the document period. The direct approach has successfully allowed the age estimation of relatively old documents under police custody (up to 30 years of age) and the determination of a relation between the natural and the accelerated aging of paper under the used conditions. This approach is applicable to papers that have the same (or similar) composition and have been stored under comparable storage conditions. Additionally, the indirect approach is presented as an interesting perspective to ratify valuable information of the document age.

In 1946 TAM (Taller de Arte Mural) a group of famous Argentine artists namely Castagnino, Spilimbergo, Urruchúa and Colmeiro, realized the decoration of four lunettes placed above the entrances of the Galerías Pacífico in Buenos Aires. Twenty-four samples coming from these lunettes have been analyzed by means the infrared transmission micro-spectroscopy to determine the composition of the preparation layer (mainly composed by gypsum) and the nature of binder (a drying oil), while the investigation of Raman micro-spectroscopy has allowed to identify the inorganic pigments and the synthetic organic dyes present.

Amber comprises polymerized plant resins that have a remarkable capacity for survival in a range of geological environments. Most ambers can be traced to coniferous trees and typically combine a broad array of plant natural products including terpenoids, carboxylic acids, and associated alcohols. Because amber may entomb various organisms at the time of production and preserve them with unmatched fidelity, it has been studied for centuries. Despite extensive geochemical profiling of amber-derived extracts using techniques such as gas-chromatography mass spectrometry, to date amber compositional variability has not been investigated by time-of-flight secondary ion mass spectrometry (ToF-SIMS). We conducted a series of scans on microtomed surfaces of Baltic and Bitterfeld ambers, representing two of Europe's major deposits, both of Palaeogene age. We exploited authentic standards of mono-methyl succinate and diterpene resin acids to guide interpretation of the results. The ToF-SIMS spectra are highly reproducible for each amber type considered and highlight subtle differences that are likely underscored by differences in age, botanical provenance, and post-depositional history. Importantly, the abundance of succinate is consistently higher in Baltic amber relative to Bitterfeld amber, suggesting they are distinct deposits and not regional variants of each other.

Geological processing has long-since obliterated the Earth-based record of pre-biotic chemical evolution. However, remains of the materials that were involved in the construction of the Earth are preserved in ancient asteroids, fragments of which are naturally-delivered to the Earth as meteorites. Carbonaceous chondrites are a particularly primitive class of meteorite that contain 2 to 5 wt. % carbon, most of which is present as organic matter .

1. Planetary and Space Sciences Research Institute, The Open University, Milton Keynes, MK7 6AA, UK. 2. Department of Earth Sciences, The Open University, Milton Keynes, MK7 6AA, UK 3. Department of Earth Science and Engineering, Imperial College, London, SW7 2AZ, UK.

Background: This study concerns the application of non-invasive and micro-invasive analyses for the study of a contemporary artwork entitled La Caverna dell'Antimateria ("The Cave of Antimatter") which was created by Pinot Gallizio in 1958Gallizio in -1959. The work represents one of the most significant examples of industrial painting. It consists of a total of 145 meters of painted canvas, designed in order to cover the entire floor plan of the René Drouin gallery in Paris, where it was displayed for the first time. Gallizio wanted to create an environment in which visitors could find themselves immersed in painting, in what he termed as a "work-environment". Non-invasive (Fibre Optic Reflectance Spectroscopy) and micro-invasive analyses (Fourier Transform Infrared and micro-Raman Spectroscopies, Pyrolysis-Gas Chromatography and Gas Chromatography/Mass Spectrometry) were performed on three of the canvases which constitute this work of art in order to obtain information regarding the artistic materials used by Gallizio.

This paper describes the study of one low rank coal (LRC). To investigate its molecular structure, a LRC was characterized by proximate and ultimate analyses, XRD, FTIR, Raman spectroscopy, and pyrolysis-GC/MS (py-GC/MS). The light volatile fraction of LRC was characterized via py-GC/MS. LRC's aromatic ring structures consist of 59% amorphous structures, 22% of highly ordered structures with no less than 6 rings, 16% of aromatic structures characterized by aliphatic and/or ether substitutions and 3% of substituted benzene rings. XRD results show that the crystalline unit of LRC contains 1.44 aromatic carbon atoms per aliphatic carbon atom. Aromatic cluster structures within LRC are interconnected via ether-and covalent C\C bonds. Hydroxyl, ether and carbonyl functionalities give LRC its polar character. The slow pyrolysis of LRC resulted in a light volatile GC/MS detected fraction consisting of 20% aromatic ring compounds, 45% of phenolics, 30% of aliphatic hydrocarbons and 5% O-compounds, of which the concentration, evolution and nature were dependent on the heating rates and end temperatures. Generally, slow pyrolysis of LRC at 700°C yielded the highest concentrations of unsaturated acyclic hydrocarbons, aromatics and phenolics.

Cancer is the second leading cause of death worldwide and oxidative
stress  is  one  of  the  factors  responsible  for  causing  cancer.
Antioxidants  play  a  very  important  role  in  prevention  of  cancer.
Therefore,  efforts  have  been  made  to  identify  natural  antioxidants
having  anti-cancer  potential.  Various  herbs,  fruits and  vegetables
have diverse phytochemicals that display antioxidant properties and
help  in  reducing  the  risk  of  cancer.  Wheatgrass  has a  potent
antioxidant efficacy and has been used as a health drink to cure many
diseases in folk medicine. In the present study, anumber of solvent
extracts  of  wheatgrass  was  tested  for  their  antioxidant  ability.  The
most  effective  solvent  extract  was  further  evaluated  for  cytotoxic
effect in Hep2 cell lines and apoptotic induction was demonstrated by
propidium iodide (PI) fluorescent staining. The bioactive constituents
were  analysed  by  GC-MS.  Methanol  extract  (ME)  showed  the
highest  quantity  of  phenols  and  flavonoids.  PI  staining  showed
apoptotic  features  like  nuclear  fragmentation  and  chromatin
condensation  and  GC-MS  analysis  showed  the  presence of  nine
bioactive phytoconstituents in methanol extract. Hence we conclude
that  wheatgrass  has  good  antioxidant  and  cytotoxic  property  and
being  a  natural  product,  could  be  a  good  candidate  for  cancer
prevention and treatment.

Hardwickia  binata Roxb.  (Fabaceae)  root  bark  exudate  has  been
traditionally used by tribes of Chitteri hills to cure breast cancer. The
main  objective  of  this  study  is  to  give  a  scientific  validation  to  the
traditional use of  H. binata. The root bark exudates of  H. binatawas
collected  from  Chitteri  hills,  shade  dried,  coarsely  powdered  and
extracted  with  methanol  using  soxhlet  apparatus.  The  Physico
chemical  properties,  qualitative  phytochemical  studies,  quantitative
phytochemical  studies  and  GC-MS  analysis  was  carried  out.  The
cytotoxic  effect  of  methanol  extract  of  H.binata root  bark  exudate
was  studied  against  cancer  cell  lines  by  MTT  assay. The
phytochemical studies indicated the presence of flavonoids, saponins,
phenols and tannins. GC-MS study also revealed the  presence of 22
organic compounds out of which 18 compounds were reported with
various activities and five compounds reported to possess anticancer
activity.  In  vitro  cytotoxic  activity  on  the  cell  lines  showed  more
degree of inhibition against African Green Monkey Kidney Epithelial
cells  (Vero),  Human  cervical  cancer  cell  lines  (HeLa)  and  Human
breast cancer cells (MCF-7).

Geological processing has long-since obliterated the Earth-based record of pre-biotic chemical evolution. However, remains of the materials that were involved in the construction of the Earth are preserved in ancient asteroids, fragments of which are naturally-delivered to the Earth as meteorites. Carbonaceous chondrites are a particularly primitive class of meteorite that contain 2 to 5 wt. % carbon, most of which is present as organic matter .

For the first time, molecular evidence of the structural role played by succinic acid within the macromolecular structure of Class Ia and Class Id resinites is presented. Using a novel gas chromatographic methodology, communol (Class Ia) and ozol (Class Id) moieties within the polylabdane matrix are shown to be cross-linked with succinic acid. Samples were analysed using pyrolysis-gas chromatography-mass spectrometry with in situ HMDS derivatisation, using a thermal separation probe to perform the pyrolysis and sample introduction. The relatively slow rate of heating and prolonged pyrolysis of resinites using this new methodology, combined with the use of a mild derivatization reagent, allowed communol pyrolysates from Class Ia resinite and ozol pyrolysates from Class Id resinite to elute with unbroken succinyl ester cross-linkages. These results provide direct molecular evidence that the key role of succinic acid within Class Ia and Class Id resinite is to cross-link the macromolecular structure. In the Class Id resinite, the methodology also allowed the detection succinyl ester linkages between ozol pyrolysates and dehydroabietol, thus, demonstrating that non-polymerized diterpenes contribute structurally to the macromolecular structure of Class Id resinite.

Phyllanthus emblica  posses a vast ethnomedicinal history and
represents a large group of phytochemical reservoir of medicinal
uses. It is one of the ingredients used from time immemorial in
various ancient literatures like in “Ayurveda” and “Charka
Samhitha” as a potential ingredient for various ailments. The fruit
is studied for various phyto chemical constituents  like rich in
quercetin, gallic acid, tannins, flavonoids, pectin and Vitamin C
and also contains various polyphenolic compounds. A wide range
of phytochemical components from this plant have shown proven
results for biological activities like terpenoids,  alkaloids,
flavonoids and tannins. Many pharmacological studies also have
exhibited proven results for antioxidant, anticarcinogenic,
antitumour, antigenotoxic, antiinflamatory activities supporting its
traditional uses. In view of these studies the present work has been
focused on the GC–MS analysis of ethyl acetate extract of the bark
portion of the  P. emblica  which could be a possible source of
extracting the therapeutically useful products.

The present investigation was carried out to determine the possible bioactive components of tuber of Ruellia tuberosa L. (Acanthaceae) using GC-MS analysis. Twenty five compounds were identified. The prevailing compounds in the ethanol extract of tuber of R. tuberosa were Lupeol (68.14%), Stigmasterol (8.89%), á-Sitosterol (3.99%), Sucrose (2.24%), Cholest-5-ene, 3-bromo-, (3á- (2.24%), Octadecane, 2-methyl- (2.10%), Nonadecane, 2-methyl- (1.93%), Eicosane, 2-methyl- (1.79%) Heptacosane (1.43%) and Heptacosane (1.29%).