Pyrolysis of Polytrimethylene Terephthalate(PTT) Fiber by Pyrolysis Gas Chromatography-Mass Spectroscopy

Pyrolysis of polytrimethylene terephthalate(PTT) fiber has been investigated by pyrolysis gas chromatography-mass spectroscopy in the temperature range from 400℃ to 750℃ in order to observe the possible effect of the temperature on its composition of pyrolysates.At 400℃,pyrolysis of molecular chain could occur,only 13 pyrolysates could be identified.The trimethylene moieties bound to the macromolecular core by ester bonds are cleaved at around 400℃.At 550℃-750℃,pyrolysis of molecular chain could completely take place,46 pyrolysates could be found.As the temperature increases,the compositions of pyrolysate are distinctly increased.Several compounds,especially benzoic acid,monopropenyl-p-phthalate,2-propenyl benzoate,di-2-propenyl ester,1,4-benzenedicarboxylic acid,benzene,1,5-hexadiene,biphenyl and 1,3-propanediol dibenzoate could be formed.The thermal degradation mechanism,which is determined by structure and amount of the thermal decomposition products,are described.During pyrolysis of polytrimethylene terephthalate,polymeric chain scissions take place a peeling reaction as a successive removal of the dimer units from the polymeric chain.The chain scissions are followed by the elimination reaction,linkage action and secondary reactions,which bring about a variety fragment.

Determination of Natural Rubber Content in Taraxacum Kok-Saghyz by Pyrolysis Gas Chromatography-Mass Spectrometry

Nowadays,natural rubber(NR)is an indispensable material for industrial production and peoples’daily utilization.The root of Taraxacum kok-saghyz(TKS)contains a large amount of NR,which is potentially to be an alternative rubber source of conventional Hevea brasiliensis(HB).In order to find a convenient,fast and green method for qualitative and quantitative analysis of NR in TKS,a pyrolysis gas chromatography-mass spectrometric(Py-GCMS)method was developed accordingly.The results indicated that the main products of TKS rubber after pyrolysis were isoprene and limonene,respectively,and the limit of detection(LOD)of TKS rubber was 2.603 mg/g.The ratios of NR mass fractions in TKSs by Py-GC-MS ranged from 1.20%±0.20%to 8.61%±0.28%.The developed method has been used for determination of actual TKS samples and can be further applied to the field test for rapid breeding and large-scale cultivation of TKS thereof.

Super Antibiotics, Part II. Hyperforin, Mass Spectroscopy (MS) and Gas Chromatography-Mass Spectrometry (GC-MS), Evidence of Permeability of the Blood-Testis Barrier (BTB) and the Blood-Brain Barrier (BBB) to Hyperforin

In the first article of this series, we presented some evidence of hyperforin as an antibiotic, antiprotozoal, antiviral, anticancer, and immunomodulatory substance. In the present article, evidence of the permeability of the blood-testis barrier (BTB) and blood-brain barrier (BBB) to hyperforin and its distribution in other organs of the domestic pig (Sus scrofa domesticus) are revealed. Seven-month-old male boars with a body mass of 100 kg were fed a diet containing hyperforin. Organs were surgically removed under anesthesia. Organs were suitable prepared and extracted, and then analyzed using gas chromatography-mass spectrometry with supersonic molecular beams (GC-MS with SMB). The presence of hyperforin was recorded in all organs and body fluids. Special attention was paid to the evaluation of the presence of hyperforin in the brain and testes of experimental animals. The presence of hyperforin in the brain and testes of experimental animals was established by GC-MS with SMB. The results are of interest because penicillin and numerous other antibiotics cannot pass through the BTB or BBB if healthy or non-inflamed, which limits their use in patients with meningitis and gonorrhea. The findings are also of interest in cases of penicillin- and multi-antibiotic-resistant bacterial infections.

Fast Determination of the Rubber Content in Taraxacum kok-saghyz Fresh Biomass Using Portable Near-Infrared Spectroscopy and Pyrolysis-Gas Chromatography

Taraxacum kok-saghyz(TKS)is a plant native to the Tianshan valley on the border between China and Kazakhstan.TKS rubber is a good substitute for natural rubber.TKS's breeding work necessitates the need to screen high-yielding varieties,hence rapid determination of rubber content is essential for the screening.Conventional analytical methods cannot meet actual needs in terms of real-time testing and economic cost.Near-infrared spectroscopy analysis technology,which has developed rapidly in the field of industrial process analysis in recent years,is a green detection technology with obvious merits of fast measurement speed,low cost and no sample loss.This research aims to develop a portable non-destructive near-infrared spectroscopic detection scheme to evaluate the content of natural rubber in TKS fresh roots.Pyrolysis gas chromatography(Py-GC)was chosen as the reference method for the development of NIR prediction model.208 TKS fresh root samples were collected from the Inner Mongolia Autonomous Region of China.Near-infrared spectra were acquired for all samples.Randomly,two-thirds of them were selected as the calibration set,the remaining one-third as the validation set,and the partial least squares method was successfully established a good NIR prediction model for rubber content at 1080-1800 nm with a ratio of performance to deviation(RPD)of 5.54 and coefficient of determination(R^(2))of 0.95.This study showed that portable near-infrared spectroscopy could be used with ease for large-scale screening of TKS plants in farmland,and could greatly facilitate TKS germplasm preservation,high-yield cultivation,environment-friendly,high-efficiency and low-cost rubber extraction,and comprehensive advancement of the natural rubber industry thereof.

Exploring Chemovar-Specific Cannabis Extracts Quantification and Evaluation of Cytotoxic Compounds for Targeting Glioblastoma Multiforme

Glioblastoma Multiforme (GBM) represents one of the most aggressive and metastatic brain tumors, with a dismal success rate of less than three percent after five years, particularly in tumors with active immune checkpoints. This necessitates the development of targeted endogenous agents for precise GBM treatment. Previous experiments utilizing Chemovar Specific Cannabis Extractions (CSCEs), fractionated with polar solvents and quantified using Liquid and Gas Column Chromatography combined with Mass Spectrometry (LC/GCMS), have shown reduced viability and motility in human GBM cell lines. However, the complexity of the botanical substance has hindered the personalization of standard cannabis medicines for GBM due to unknown synergistic effects of multiple compounds. To address this limitation, our study focuses on exposing AM251 cells to chemovar fractions extracted using a non-polar solvent, thereby isolating a broader spectrum of constituents. By employing LC/GCMS in conjunction with Nuclear Magnetic Resonance (NMR), we have identified and quantified nine* compounds present in the non-polar CSCE that exhibit significant efficacy (0.1 μM) in inducing cytotoxicity* in GBM tumor cells. Conversely, the polar fraction in our experiment did not demonstrate efficacy against UM251 cells. The quantification of individual compounds within a cannabis extraction that selectively induces cell death in brain tumors holds promise for guiding future research and facilitating the development of a standardized CSCE for GBM therapy.

裂解气相色谱-质谱法分离鉴定聚氨酯防水涂料中的煤焦油

建立了采用闪蒸裂解气相色谱-质谱测定固化后的聚氨酯防水涂料中的煤焦油的新方法。该方法方便快捷,无需对样品进行前处理,而且测定结果不受聚氨酯组分的干扰。该方法在建筑材料中有毒有害组分的分析检测方面有一定的应用价值。

区分动植物油的气相色谱-质谱分析

The discrimination between animal oil and vegetable oil was analyzed by gas chromatography-mass spectroscopy(GC-MS) using esterifying oils under the presence of KOH.Six main fatty acids(myristic acid,palmitoleic acid,palmitic acid,linoleic acid,oleinic acid and stearic acid) were determined.It was found that animal oil and vegetable oil not only has a difference in components and relative content,but also has a difference in unsaturation.According to all of these differences,animal oil can be discriminated from vegetable oil.

喷气燃料中胶质化合物的质谱分析

The jet fuel sample passed through a column packed with neutral alumina powder adsorbent,then the gum adsorbed on the adsorbent was washed out with acetic acid.The gum samples were detected by gas chromatography-mass spectrometry with capillary column and pyrolysis chromatography-mass spectrometry.The predominant components in gum are alkyl phenols and aryl esters.

Analysis of Pyrolysates for Phenol Formaldehyde Resin by Py-GC/MS

Pyrolysis of phenol formaldehyde resin has been investigated by Pyrolysis Gas Chromatography-Mass Spectroscopy at the different temperatures from 500℃ to 750℃. Its composition of pyrclysates has been analyzed. Several compounds, especially benzene, toluene, p-xylene could only be formed above 500-550℃. Howerver, peak intensities for some pbend derivatives were decreased at the higher temperature. During pyrolysis, for thermo-setting phenol formaldehyde resins, polymeric chain scissions take place as a successive removal of the monomer units from the polymeric chain. The chain scissions are followed by secondary reactions, which leads to a variety of compounds. Addition reactions can also take place among the double-bond compounds during pyrolysis.

Analysis of Pyrolysates for Polysulphoneamide Fiber by Py-GC/MS

Pyrolysis of polysulphoneamide fiber has been investigated using pyrolysis gas chromatography-mass spectroscopy at the different temperatures from 420℃ to 750℃. Its compositions of pyrolysates have been analyzed. At 420℃,pyrolysis of molecular chain could not completdy take place, 12 compounds of pyrolysis have only been identified. When the temperature increases, the compositions of pyrolysate increase sharply. Several compounds, especially sulfur dioxide, benzene, aniline, benzoic acid, 1,4-benzene dicaronitrile, N-phenyl-acetamide, diphenylamine, benzc[g] isoquinoline, N-phenyl-benzamide, hi-（ 4-cyanophenyl ）benzamide, could be formed. The degradation mechanisms which are determined by structure and amount of the thermal decomposition products are described. During pyrolysis, for polysulphoneamide, polymeric chain scissions take place as a successive removal of the monomer units from the polymeric chain. The chain scissions are followed by secondary reactions, which lead to a variety of compounds. Additional reactions can also take place during pyrolysis.

Factors controlling the enrichment of natural gas in Kuche depression,Tarim Basin,NW China:Molecular geochemical evidence from sedimentary organic matter

Using molecular geochemical data from infrared spectrometer and pyrolysis gas chromatography-mass spectrometry, this paper investigates the petroleum generation characteristics of Jurassic coal measures from Kuche depression, Tarim Basin, NW China. The results showed that the Jurassic coaly rocks with medium maturity (R0%: 0.8-1.1) were enriched in gas-prone functionalities (-CH3) and low molecular weight pyrolysates (【nC21), indicating that the coaly rocks from Kuche depression were gas/condensate prone at the stages of middle to high maturation, and it was further supported by the oil/source correlation from well Yinan 2 in this region.

Effects of Protein on the Detection of Chlorobenzenes in Fish and Their Elimination by Modified QuEChERS Method

Molecular fluorescence spectrometry, resonance Rayleigh scattering and gas chromatography-mass spectroscopy（GC-MS） were used to study the effect of pure fish serum albumin（FSA） as the model protein on the extraction of three chlorobenzenes（CBs： 1,3-DCB, 1,2-DCB and 1,2,4-TCB; DCB=dichlorobenzene; TCB=trichlorobenzene） in fish samples. The results show that there was a strong binding effect between CB and FSA. In an aqueous solution of 90%（volume fraction） acetone, a slow but full protein denaturation might take place, which would cause the unfolding of protein and the releasing of CBs. Based on these results, a QuEChERS（quick, easy, cheap, effective, rugged and safe） method was modified by replacing the traditional acetonitrile with acetone aqueous solution in the present work. This modified QuEChERS method was applied in the determination of CBs in fish samples. The spiked recoveries and the limits of detection were 80.4%--118.3% and 2.4--7.3 ng/g, respectively. This paper proposes a new strategy by slowing down the protein denaturation and releasing bound organic compounds to enhance the extraction efficiency of CBs in fish samples.

Disubstituted piperazine analogues of trifluoromethylphenylpiperazine and methylenedioxybenzylpiperazine: analytical differentiation and serotonin receptor binding studies

A series of N,N-disubstituted piperazines were synthesized containing the structural elements of both methylenedioxybenzylpiperazine (MDBP) and trifluoromethylphenylpiperazine (TFMPP)in a single molecule.These six potential designer drug molecules having a regioisomeric relationship were compared in gas chromatography-mass spectrometry (GC-MS),gas chromatography-infrared spectroscopy and serotonin receptor affinity studies.These compounds were separated by capillary gas chromatography on an Rxi(R)-17Sil MS stationary phase film and the elution order appears to be determined by the position of aromatic ring substitution.The majority of electron ionization mass spectral fragment ions occur via processes initiated by one of the two nitrogen atoms of the piperazine ring.The major electron ionization mass spectrometry (El-MS) fragment ions observed in all six of these regioisomeric substances occur at m/z =364,229,163 and 135.The relative intensity of the various fragment ions is also equivalent in each of the six El-MS spectra.The vapour phase infrared spectra provide a number of absorption bands to differentiate among the six individual compounds on this regioisomeric set.Thus,the mass spectra place these compounds into a single group and the vapour phase infrared spectra differentiate among the six regioisomeric possibilities.All of the TFMPP-MDBP regioisomers displayed significant binding to 5-HT2B receptors and in contrast to 3-TFMPP,most of these TFMPP-MDBP isomers did not show significant binding at 5-HT1 receptor subtypes.Only the 3-TFMPP-3,4-MDBP (Compound 5) isomer displayed affinity comparable to 3-TFMPP at 5-HT1A receptors (Ki =188 nmol/L).

Characterization and Three-dimensional Structural Modeling of Humic Acid via Molecular Mechanics and Molecular Dynamic Simulation

The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C NMR） spectroscopy. There is high fat content and a few nitrogen-containing functional groups in HA. Py-GC-MS demonstrates the characterization and structural identification of HA. One long list of identified pyrolysis products was proposed for the construction of conceptual model of HA. Solid-state 13C NMR data indicate there are higher values of alkyl-C, O-alkyl-C and aryl-C in HA. The elemental composition, structural carbon distribution and L3C NMR spectroscopy of simulated HA are consistent with those of experimental HA. HyperChem was used to simulate the three-dimensional molecular structure of the monomer, which was optimized by the molecular mechanics of the optimized potential for liquid simulations（OPLS） force field and molecular dynamics simulation to get the stable and balanced conformation. The deprotonation process study depicts that the degree of ionization of HA gets deeper, while the electronegativity of HA and the energy of van der Waals（vdW） increase. Moreover, the 3D structure of humic acid with -4 charges is the most stable. The deprotonation process is an endothermic process.

GC-MS and FT-IR analysis of a coastal medicinal plant-Hyptis suaveolens(L.)Poit

Objective:To investigate the bioactive components of a coastal medicinal plant,Hyptis suaveolens(L.)Poit.(H.suaveolens)leaves using fourier transform-infrared spectroscopy and gas chromatography-mass spectrometer(GC-MS).Methods:The chemical compositions of the ethanol extract of whole plant of H.suaveolens was investigated using PerkinElmer GC-MS,while the mass spectra of the compounds found in the extract was matched with the National Institute of Standard and Technology library.Results:The results of fourier transform-infrared spectroscopy analysis confirmed the presence of secondary alcohols,phenols,alkanes,alkynes,aromatics,nitro compounds and aliphatic compounds.GC-MS analysis of the ethanolic extract revealed the existence of 30 phytochemical compounds.5,5-Dimethylimidazolidin-2,4-diamine(20.35%)was found to be the major compound.Conclusions:The results of this study offer a platform to use H.suaveolens leaves as herbal alternative for various diseases.