Molecular Chemical Composition Research Articles

Preference and possible consumption of provided enrichment and bedding materials and disinfectant powder by growing pigs

BackgroundDomestic pigs have an evolutionary conserved exploratory behaviour. To comply with this requirement, the European Union aims at setting standards for appropriate enrichment materials for pigs (Council Directive 2008/120/EC). As recommended characteristics include ‘chewable’ and ‘edible’, pigs might also consume these materials (Commission Recommendation (EU) 2016/336), which are often additionally advertised to enhance lying comfort and hygienic conditions in stables. To date, a wide range of bedding, enrichment and disinfectant materials is available on the market to ensure environmental enrichment, a dry, hygienic environment or lying comfort. Previous studies revealed considerable amounts of undesirable substances in some of these materials possibly being a risk for food safety considering oral uptake by the animal. To determine interest and indicators for consumption of different types of materials by pigs during exploratory behaviour, a camera-assisted observational study with 12 female pigs (German Landrace) was conducted. We tested their preference for a disinfectant powder, peat, biochar and straw as reference material in a 4 × 6 factorial arrangement.ResultsPigs manipulated and consumed all offered materials. However, longest manipulation time per pig was observed for biochar (63 min/day) and peat (50 min/day) (p < 0.05). Analyses of the bulk molecular-chemical composition and n-alkanes and acid insoluble ash as markers in the materials and in faeces clearly revealed the consumption of these materials by pigs.ConclusionsWhether the consumption of considerable amounts together with certain levels of undesirable substances represents a risk for pig and consumer health could yet not be established. Future studies will address the quantitative contribution of undesirable substances by oral ingestion of bedding and enrichment materials and disinfectant powders to the daily feed ration.

Erosion Induced Heterogeneity of Soil Organic Matter in Catenae from the Baltic Sea Catchment

Soil organic matter (SOM) is unevenly distributed in arable fields in undulated landscapes, but the chemical composition resulting from their turnover, transport and deposition processes is insufficiently known. Therefore, we aimed at disclosing the molecular-chemical composition of SOM in four different catenae at shoulderslope, backslope and footslope positions in arable fields in the Baltic Sea catchment, Europe. The backslope positions always had the lowest organic C-contents (Corg) (1.6…11.8 g·kg−1) and C-stocks (3.8…8.5 kg·m−2) compared to the shoulderslopes and footslopes (1.7…17.7 g·Corg·kg−1, 5.4…15 kg·Corg·m−2). In the SOM-poor backslope positions, the organic matter was characterized by relatively high proportions of carbohydrates, phenols + lignin monomers, alkylaromatic compounds, N-compounds and amides, indicating intensive microbial decomposition. By contrast, the footslopes had the largest Corg-contents (9.3…16.5 g·kg−1) and C-stocks (8.9…15 kg·m−2) in the catenae and particular enrichments in lipids, lignin dimers, sterols and free fatty acids. These relatively stabile SOM compound classes are interpreted as leftovers from erosive downslope transport and concurrent microbial decomposition, e.g., they are pronounced at backslope positions, followed by restricted microbial decomposition. This heterogeneous SOM distribution calls for an adapted soil management that reduces erosion and places amendments to field areas, such as the shoulderslope and backslope.

Molecular characterization of organic aerosol in the Himalayas: insight from ultra-high-resolution mass spectrometry

Abstract. An increased trend in aerosol concentration has been observed in the Himalayas in recent years, but the understanding of the chemical composition and sources of aerosol remains poorly understood. In this study, molecular chemical composition of water-soluble organic matter (WSOM) from two filter samples collected during two high aerosol loading periods (denoted as P1 and P2) at a high-altitude station (Qomolangma Station, QOMS; 4276 m a.s.l.) in the northern Himalayas was identified using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR MS). More than 4000 molecular formulas were identified in each filter sample which were classified into two compound groups (CHO and CHON) based on their elemental composition, with both accounting for nearly equal contributions in number (45 %–55 %). The relative abundance weighted mole ratio of O∕Cw for P1 and P2 was 0.43 and 0.39, respectively, and the weighted double bond equivalents (DBEw), an index for the saturation of organic molecules, were 7.12 and 7.87, respectively. Although the O∕Cw mole ratio was comparable for CHO and CHON compounds, the DBEw was significantly higher in CHON compounds than CHO compounds. More than 50 % molecular formulas in the Van Krevelen (VK) diagram (H∕C vs. O∕C) were located in 1–1.5 (H∕C) and 0.2–0.6 (O∕C) regions, suggesting potential lignin-like compounds. The distributions of CHO and CHON compounds in the VK diagram, DBE vs. number of C atoms, and other diagnostic diagrams showed high similarities among each other, suggesting their similar source and/or atmospheric processes. Many formulas formed from biogenic volatile organic compounds (e.g., ozonolysis of α-pinene products) and biomass-burning-emitted compounds (e.g., phenolic compounds) were found in the WSOM, suggesting the important contribution of these two sources in the Himalayas. The high DBE and high fraction of nitrogen-containing aerosol can potentially impact aerosol light absorption in this remote region. Further comprehensive study is needed due to the complexity of organic aerosol and limited molecular number identified in this study.

Effects of elm bark extracts from Ulmus laevis on human chorion carcinoma cell lines

The potential of substances from elm bark extracts to affect cancer has been described in several studies. In this study, the anticancer effects of extracts from Ulmus laevis bark were tested in hormone-dependent gynecological tumours using human chorion carcinoma cell lines. The molecular-chemical composition of the bark extract was analysed by pyrolysis-field ionisation mass spectrometry. The influence of the extracts was determined on cell vitality and cytotoxicity in the human chorion carcinoma cell lines Jeg3 and BeWo in comparison with primary trophoblast cells. The elm bark extract was mainly composed of triterpenes, phytosterols, free fatty acids and suberins with lower amounts of dilignols and lipids. The elm bark extract significantly inhibited the vitality of Jeg3 and BeWo cells but increased the vitality of primary trophoblast cells. Substances extracted from elm bark might have beneficial effects for the prevention of hormone-dependent tumours.

Transgene effects on rhizodeposition: Evidence from molecular-chemical screening by Pyrolysis-Field Ionisation Mass Spectrometry (Py-FIMS)

AbstractRhizodeposition plays an important role in the C and N cycle of ecosystems, since it essentially reflects the interaction between plant, soil and soil microorganisms. The molecular-chemical characterisation of rhizodeposition is often limited to selected compound classes (e.g., carbohydrates and amino acids). A more comprehensive analytical approach is based on the molecular-chemical “fingerprint” revealed by Pyrolysis-Field Ionisation Mass Spectrometry (Py-FIMS).The presented results give evidence of specific effects in conjunction with soil type, crop, variety, transgenes and mycorrhizal colonisation on the molecular-chemical composition of rhizodeposition. The experiments included various crops (maize, potato, vetch, willow and poplar), which were grown in leaching vessels under controlled environmental conditions on different soil types. The experimental design covered different varieties for maize, trangenes (vetch and potato) and inoculation with mycorrhizal fungi (poplar). All rhizodeposits were leached at defined growth stages and analysed by Py-FIMS.The Py-FIMS data evaluation by multivariate statistics enabled a clear discrimination by all factors. Among these factors soil type and the crop had the largest effect on the molecular-chemical composition. By contrast, variety and transgene effects were subordinated.The results of the multivariate statistics for crops, grown on the same soil (maize, potato, vetch), revealed 23 mass signals with highest discriminating power (P&lt;0.001, multiple F-test). About 90 % of those signals can be assigned to known substances, based on our mass spectrometric in-house library and/or the literature. Further investigation will be focused on structural elucidation of the previously unassigned mass signals.

Inhibitory effects of bark extracts from Ulmus laevis on endometrial carcinoma: an in-vitro study

Anti-inflammatory effects of elm tree have been shown in several studies. Besides this, protective effects of components of elm bark on damaged tissue have also been described. This study was carried out to investigate the antitumour potential of an ethanolic extract isolated from Ulmus laevis in the hormone-dependent endometrial carcinoma cell line RL95-2. A range of 2.5-500 microg/ml of elm bark extract was used as standard concentrations. The molecular-chemical composition of the bark extract was analysed by pyrolysis-field ionization mass spectrometry. The influence of the bark extracts was determined on cell vitality [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide test], cell proliferation (5-bromo-2-deoxyuridine test) and cytotoxicity (lactate dehydrogenase test) in the human endometrial carcinoma cell line RL 95-2. By pyrolysis-field ionization mass spectrometry, the main substance classes of the extract as a composition of sterols/triterpenes, free fatty acids and a group of phenols, lignin monomers and flavonoids was identified. Our study showed a significant inhibition of cell vitality and proliferation measured by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide test up to 5 microg/ml extract and up to 100 microg/ml according to the 5-bromo-2-deoxyuridine test. Concentrations of 500 microg/ml induced a significant inhibition of cell vitality up to 80% and cell proliferation up to 81.5%. A significant cytotoxity was not observed. The results lead to the assumption that the bark extract from Ulmus laevis has antiproliferation and anticancer potential in hormone-dependent endometrial carcinoma cells.

Inhibitory effects of bark extracts from Ulmus laevis on endometrial carcinoma: an in-vitro study.

Anti-inflammatory effects of elm tree have been shown in several studies. Besides this, protective effects of components of elm bark on damaged tissue have also been described. This study was carried out to investigate the antitumour potential of an ethanolic extract isolated from Ulmus laevis in the hormone-dependent endometrial carcinoma cell line RL95-2. A range of 2.5-500 microg/ml of elm bark extract was used as standard concentrations. The molecular-chemical composition of the bark extract was analysed by pyrolysis-field ionization mass spectrometry. The influence of the bark extracts was determined on cell vitality [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide test], cell proliferation (5-bromo-2-deoxyuridine test) and cytotoxicity (lactate dehydrogenase test) in the human endometrial carcinoma cell line RL 95-2. By pyrolysis-field ionization mass spectrometry, the main substance classes of the extract as a composition of sterols/triterpenes, free fatty acids and a group of phenols, lignin monomers and flavonoids was identified. Our study showed a significant inhibition of cell vitality and proliferation measured by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide test up to 5 microg/ml extract and up to 100 microg/ml according to the 5-bromo-2-deoxyuridine test. Concentrations of 500 microg/ml induced a significant inhibition of cell vitality up to 80% and cell proliferation up to 81.5%. A significant cytotoxity was not observed. The results lead to the assumption that the bark extract from Ulmus laevis has antiproliferation and anticancer potential in hormone-dependent endometrial carcinoma cells.

Stability and composition of soil organic matter control respiration and soil enzyme activities

Relationships between soil organic matter (SOM) molecular composition, thermal stability and decomposability by soil enzymes and microbes are largely unknown. We incubated soils from unfertilized and NPK-fertilized neighboring field plots of a long-term rye (Secale cereale) monoculture experiment and investigated relationships between changes in the molecular-chemical composition of SOM, the CO2 flux and the activities of enzymes. Pyrolysis-field ionization mass spectrometry (Py-FIMS) showed larger ion intensities in the NPK-fertilized than in the unfertilized soil at start of the incubation, only small changes in composition and thermal stability in the unfertilized soil, and a preferential reduction in thermally stable components as well as general shifts towards lower pyrolysis temperature after three weeks of incubation in the NPK-treatment. We found evidence that thermally labile and stable proportions of various compound classes were differently susceptible to decomposition, depending on the fertilization history of the soil. Irrespective of fertilization treatment, peaks in xylanase activity after 7 days of incubation followed by decreasing values were reflected by the ratio of xylan (m/z 114) to xylose (m/z 132) marker signals in the Py-FI mass spectra. Thus, the study proved that (1) SOM composition was changed due to long-term rye cropping without and with NPK-fertilization, (2) the modified SOM composition affected the decomposability and microbial parameters under optimized conditions and (3) the thermal properties of individual compound classes derived from Py-FI mass spectra can be sensitive predictors of microbial decomposition.

Qualitative differences between day- and night-time rhizodeposition in maize ( Zea mays L.) as investigated by pyrolysis-field ionization mass spectrometry

Rhizodeposition is an important pathway of atmospheric C-input to soil, however, quantity and quality of plant rhizodeposition are insufficiently known. Therefore, the composition and diurnal dynamics of water-soluble root-derived substances and products of their interaction with sandy soil were investigated in maize plants ( Zea mays L.) by pyrolysis-field ionization mass spectrometry (Py-FIMS). In both night- and day-rhizodeposits the C, N and S concentrations were larger by factors ranging from 3.0 to 9.7 than the samples from non-cropped soil. The rhizodeposition was larger during the day than during the night-time and the composition of these deposits was different. The largest differences in the Py-FI mass spectra resulted from signals assigned to amino acids (aspartic acid, asparagine, glutamic acid, leucine, isoleucine, hydroxyproline and phenylalanine) and carbohydrates, in particular pentoses, which were exuded in the photosynthetic period. Marker signals in the Py-FI mass spectra and the curves of their thermal volatilization provided unequivocal evidence for the occurrence of free amino acids in the day-rhizodeposits. Other compounds detected in the Py-FI mass spectra were interpreted as constituents of rhizodeposits (lipids, suberin, fatty acids) or products of the interaction of rhizodeposits and microbial metabolites with stable soil organic matter (lignin dimers and alkylaromatics). It was concluded that the diurnal dynamics in the molecular-chemical composition between day- and night-rhizodeposits resulted from the exudation carbohydrates and amino acids during the photosynthetic period, the deposition of other root-derived compounds such as lipids, suberin and fatty acids, and the microbial metabolism of all available organic compounds in the rhizosphere. Furthermore, applications of the presented approach in C-turnover and phytoremediation research, and for risk assessment of genetically modified crops are proposed.

Influence of the mineral matrix on the formation and molecular composition of soil organic matter in a long-term, agricultural experiment

The formation of soil organic matter from grass residues was studied in a 34-year-old pot experiment with grass cultivation on loamy marl using pyrolysis-field ionization mass spectrometry (Py-FIMS). For whole soils, the Py-FI mass spectra indicated clear changes in the molecular-chemical composition during SOM formation from grass residues. In particular, the enrichment of heterocyclic N-containing compounds with time was remarkable.