Reconstructing Herbivore Diets: A Multivariate Statistical Approach To Interpreting Compound-Specific Isotope Values

Abstract Stable nitrogen (N) isotope analysis of bulk tissues is a technique for reconstructing the diets of organisms. However, bulk nitrogen isotope (δ15N) values can be influenced by a variety of metabolic and environmental factors that can confound accurate dietary reconstruction. Compound-specific isotope analyses of amino acids (CSIA-AA) have demonstrated the power of the approach in understanding how the δ15N values of bulk collagen are assembled from the constituent AAs. Furthermore, by connecting these AA δ15N values within a robust biochemical framework interpretation of diet and environment are greatly enhanced. Several new proxies have emerged, built around selected AAs; however, the interconnectedness of AA biosynthetic pathways means that patterning of δ15N values across a wider suite of collagen AAs will occur under different environmental or dietary influences. This work seeks to test this idea by situating CSIA-AA within a robust statistical framework using principal component analysis (PCA) and Bayesian statistics to increase the interpretability of a wider range of AA δ15N values in terms of reconstructing herbivore diet. The model was tested using wild and domestic herbivores from the Neolithic settlements of Çatalhöyük (Turkey), Makriyalos (Greece), and Vaihingen (Germany) as case studies. It was found that at Makriyalos there was a sharp separation between domesticated and wild herbivores, which was present to a lesser extent at Çatalhöyük and not observed at Vaihingen. The case studies presented in this work demonstrate that multivariate statistical treatment of CSIA-AA data can deliver new insights into herbivore diet, exceeding those achievable with the Bayesian model.

Download Full-text

DSC, FTIR and Raman Spectroscopy Coupled with Multivariate Analysis in a Study of Co-Crystals of Pharmaceutical Interest

Molecules ◽

10.3390/molecules23092136 ◽

2018 ◽

Vol 23 (9) ◽

pp. 2136 ◽

Cited By ~ 6

Author(s):

Patrycja Garbacz ◽

Marek Wesolowski

Keyword(s):

Principal Component ◽

Water Soluble ◽

Crystal Formation ◽

Multivariate Statistical ◽

Molar Ratios ◽

Pharmaceutical Ingredients ◽

Multivariate Statistical Approach ◽

And Cluster Analysis ◽

Dsc Curves ◽

Physical Mixtures

Co-crystals have garnered increasing interest in recent years as a beneficial approach to improving the solubility of poorly water soluble active pharmaceutical ingredients (APIs). However, their preparation is a challenge that requires a simple approach towards co-crystal detection. The objective of this work was, therefore, to verify to what extent a multivariate statistical approach such as principal component analysis (PCA) and cluster analysis (CA) can be used as a supporting tool for detecting co-crystal formation. As model samples, physical mixtures and co-crystals of indomethacin with saccharin and furosemide with p-aminobenzoic acid were prepared at API/co-former molar ratios 1:1, 2:1 and 1:2. Data acquired from DSC curves and FTIR and Raman spectroscopies were used for CA and PCA calculations. The results obtained revealed that the application of physical mixtures as reference samples allows a deeper insight into co-crystallization than is possible with the use of API and co-former or API and co-former with physical mixtures. Thus, multivariate matrix for PCA and CA calculations consisting of physical mixtures and potential co-crystals could be considered as the most profitable and reliable way to reflect changes in samples after co-crystallization. Moreover, complementary interpretation of results obtained using DSC, FTIR and Raman techniques is most beneficial.

Download Full-text

Multivariate statistical treatment of plant extract compositional data: Average mass scan of the total ion chromatogram (AMS) approach

Facta universitatis - series Physics Chemistry and Technology ◽

10.2298/fupct1301085b ◽

2013 ◽

Vol 11 (1) ◽

pp. 85-99

Author(s):

Polina Blagojevic ◽

Niko Radulovic

Keyword(s):

Clustering Analysis ◽

Compositional Data ◽

Statistical Treatment ◽

Principal Component ◽

Chemical Compositions ◽

Agglomerative Hierarchical Clustering ◽

Multivariate Statistical ◽

Time Saving ◽

Average Mass ◽

Peak Areas

It was recently confirmed that relative abundances of m/z values of the average mass scan of the total GC chromatograms (AMS) are suitable variables for multivariate statistical comparison (MVA) of essential oils. These are even more applicable, reliable and faster than the traditionally used variables-percentages (peak areas) of individual oil constituents. Herein, we have explored if AMS-derived variables are appropriate for MVA comparison of plant solvent extract compositional data. To achieve this, average mass scans of the total GC chromatograms and chemical compositions (relative percentages) of eight diethyl ether extracts (six different species; samples were analyzed using GC-FID and GC-MS; data from the literature) were separately compared using two MVA methods: agglomerative hierarchical clustering analysis and principal component analysis. The obtained results strongly suggest that MVA of complex volatile mixtures (GC-MS analyzable fractions of plant solvent extracts), using the corresponding AMS, could be considered as a promising time saving tool for easy and reliable comparison purposes. The AMS approach gives comparable or even better results than the traditional method.

Download Full-text

THE INFLUENCE OF CHECK DAMS ON FLUVIAL PROCESSES AND RIPARIAN VEGETATION IN MOUNTAIN REACHES OF TORRENTS

Journal of Agricultural Engineering ◽

10.4081/jae.2010.3.37 ◽

2010 ◽

Vol 41 (3) ◽

pp. 37 ◽

Cited By ~ 5

Author(s):

Giuseppe Bombino ◽

Vincenzo Tamburino ◽

Demetrio Antonio Zema ◽

Santo Marcello Zimbone

Keyword(s):

Riparian Vegetation ◽

Principal Component ◽

Multivariate Statistical ◽

Vegetation Development ◽

Multivariate Statistic ◽

Check Dams ◽

Multivariate Statistic Analysis ◽

Multivariate Statistical Approach ◽

Specific Discharge ◽

Active Channel

The complex hydrogeomorphological processes within the active channel of rivers strongly influence riparian vegetation development and organization, particularly in mountain streams where such processes can be remarkably impacted by engineering control works. In four mountain reaches of Calabrian fiumaras we analyze, through previously arranged methods (integrated by a multivariate statistic analysis), the relationships among hydrogeomorphological river characteristics and structure and the development of riparian vegetation within the active channel in transects located in proximity of check dams and in less disturbed sites. The results of this study demonstrate clear and relevant contrasts, due to the presence of check dams, in the physical and vegetation properties of upstream, downstream and intermediate sites around check dams. The multivariate statistical approach through the Principal Component Analysis (PCA) highlighted evident relationships in all transects between groups of physical and vegetation properties. The regression analysis performed between the vegetation properties and the width:depth ratio or the specific discharge showed very different relationships between groups of transects, due to evident changes in channel morphology and in flow regime locally induced by check dams. Overall we have shown that check dams have far reaching effects in the extent and development of riparian vegetation of mountain torrent reaches, which extend far beyond physical adjustments to changed morphological, hydraulic and sedimentary conditions.

Download Full-text

Monitoring the Modifications of the Vitreous Humor Metabolite Profile after Death: An Animal Model

BioMed Research International ◽

10.1155/2015/627201 ◽

2015 ◽

Vol 2015 ◽

pp. 1-7 ◽

Cited By ~ 12

Author(s):

Maria Francesca Rosa ◽

Paola Scano ◽

Antonio Noto ◽

Matteo Nioi ◽

Roberta Sanna ◽

...

Keyword(s):

Principal Component ◽

Metabolite Profile ◽

Vitreous Humor ◽

Multivariate Statistical ◽

H Nmr ◽

Multivariate Statistical Approach ◽

Compositional Changes ◽

Latent Structures ◽

Metabolomic Approach

We applied a metabolomic approach to monitor the modifications occurring in goat vitreous humor (VH) metabolite composition at different times (0, 6, 12, 18, and 24 hours) after death. The1H-NMR analysis of the VH samples was performed for the simultaneous determination of several metabolites (i.e., the metabolite profile) representative of the VHstatusat different times. Spectral data were analyzed by Principal Component Analysis (PCA) and by Orthogonal Projection to Latent Structures (OPLS) regression technique. PCA and OPLS suggested that different spectral regions were involved in time-related changes. The major time-related compositional changes, here detected, were the increase of lactate, hypoxanthine, alanine, total glutathione, choline/phosphocholine, creatine, andmyo-inositol and the decrease of glucose and 3-hydroxybutyrate. We attempted a speculative interpretation of the biological mechanisms underlying these changes. These results show that multivariate statistical approach, based on1H NMR metabolite profiling, is a powerful tool for detecting ongoing differences in VH composition and may be applied to investigate several physiological and pathological conditions.

Download Full-text

Source Identification of Cd and Pb in Typical Farmland Topsoil in the Southwest of China: A Case Study

Sustainability ◽

10.3390/su13073729 ◽

2021 ◽

Vol 13 (7) ◽

pp. 3729

Author(s):

Junji Zhang ◽

Zeming Shi ◽

Shijun Ni ◽

Xinyu Wang ◽

Chao Liao ◽

...

Keyword(s):

Principal Component Analysis ◽

Phosphate Rock ◽

Flow Direction ◽

Isotope Analysis ◽

Principal Component ◽

Pb Isotope ◽

Multivariate Statistical ◽

Potential Toxic Metals ◽

Linear Correlation Analysis

Cd and Pb in farmland topsoil are controlled by many factors. To identify the source of potential toxic metals in the farmland topsoil around Mianyuan River, the chemical analysis and multivariate statistical analysis are performed in this study. The results indicate the following: (1) The concentration of Cd and Pb in soil exceed the background value of Chinese soil elements. (2) Cd is significantly enriched in the whole region and Pb is locally enriched, both of them are more or less influenced by human activities. (3) The contents of Cd and Pb increase significantly following the flow direction of river. (4) Pb isotope analysis indicates that the main source of Pb in the soil include the air dust, coal and phosphate plant, and the contribution of them decreases successively. (5) Linear correlation analysis and principal component analysis show that the main sources of Cd in the soil are mining phosphate rock, air dust, phosphate plant and coal mining.

Download Full-text

The 3Rs: Reduction and refinement through a multivariate statistical analysis approach in a behavioural study to unveil anxiolytic effects of natural extracts of Tilia tomentosa

Biomedical Science and Engineering ◽

10.4081/bse.2019.116 ◽

2020 ◽

Cited By ~ 1

Author(s):

Guendalina Olivero ◽

Federica Turrini ◽

Matteo Vergassola ◽

Raffaella Boggia ◽

Paola Zunin ◽

...

Keyword(s):

Statistical Approach ◽

Principal Component ◽

Experimental Protocol ◽

Multivariate Statistical ◽

Data Set ◽

Natural Extracts ◽

Multivariate Statistical Approach ◽

Behavioural Tests ◽

Tilia Tomentosa

We propose a multivariate statistical approach based on Principal Component Analysis (PCA) as an useful instrument to improve the Rules of Refinement and Reduction in in vivo animal experimentation. We analysed with PCA the preliminary data from a study on the effects of the oral administration of Tilia tomentosa bud extracts (TTBEs) on the behavioural skills of adult and aged male and female mice. PCA allows to rationalize the data set information and to dissect the results, showing connections among variables under study (behavioural parameters) and different trends in the experimental groups (control and TTBEs-administered animals). Our results show that PCA can give some important information that can be useful for the refinement of the experimental protocol, in order to reduce the number of the animals used in the experiments and/or the behavioural tests to get reliable information.

Download Full-text

Refinement and evaluation of an automated mass spectrometer for nitrogen isotope analysis by the Rittenberg technique

Journal of Automatic Chemistry ◽

10.1155/s1463924691000433 ◽

1991 ◽

Vol 13 (6) ◽

pp. 273-280 ◽

Cited By ~ 26

Author(s):

R. L. Mulvaney ◽

Y. P. Liu

Keyword(s):

Mass Spectrometer ◽

Isotope Analysis ◽

Nitrogen Isotope ◽

Natural Abundance ◽

Improve Performance ◽

Inlet System ◽

Nitrogen Isotope Analysis ◽

Inlet Manifold ◽

Isotope Analyses ◽

Good Agreement

An apparatus designed to automatically perform hypobromite oxidations of ammonium salt samples for nitrogen isotope analyses with a mass spectrometer was modified to improve performance and reduce analysis time. As modified, reference N2is admitted to the mass spectrometer between samples from a dedicated inlet manifold, for calibration at the same pressure as that of the preceding sample. Analyses can be performed on samples containing 10 μg to 1 mg of N (or more), at a rate of up to 350 samples/day. When operated with a double-collector mass spectrometer, the standard deviation at the natural abundance level (10 analyses, 50-150 μg N) was <0.0001 atom %15N. Very little memory was observed when natural abundance samples (0.366 atom %15N) were analysed. following samples containing 40 atom %15N. Analyses in the range, 0.2 to 1 atom %15N (50-150 μg N), were in good agreement with manual Rittenberg analyses (1 mg N) using a dual-inlet system, and precision was comparable. For enrichments of 2 to 20 atom %15N, automated analyses were slightly lower than manual analyses, which was attributed to outgassing of N2from the plastic microplate used to contain samples.

Download Full-text

Ancient Beringian paleodiets revealed through multiproxy stable isotope analyses

Science Advances ◽

10.1126/sciadv.abc1968 ◽

2020 ◽

Vol 6 (36) ◽

pp. eabc1968

Author(s):

Carrin M. Halffman ◽

Ben A. Potter ◽

Holly J. McKinney ◽

Takumi Tsutaya ◽

Bruce P. Finney ◽

...

Keyword(s):

Native Americans ◽

Stable Isotope ◽

Tooth Enamel ◽

Isotope Composition ◽

Isotope Analysis ◽

Nitrogen Isotope ◽

Essential Amino Acids ◽

Bone Collagen ◽

Carbon And Nitrogen ◽

Isotope Analyses

The earliest Native Americans have often been portrayed as either megafaunal specialists or generalist foragers, but this debate cannot be resolved by studying the faunal record alone. Stable isotope analysis directly reveals the foods consumed by individuals. We present multi-tissue isotope analyses of two Ancient Beringian infants from the Upward Sun River site (USR), Alaska (~11,500 years ago). Models of fetal bone turnover combined with seasonally-sensitive taxa show that the carbon and nitrogen isotope composition of USR infant bone collagen reflects maternal diets over the summer. Using comparative faunal isotope data, we demonstrate that although terrestrial sources dominated maternal diets, salmon was also important, supported by carbon isotope analysis of essential amino acids and bone bioapatite. Tooth enamel samples indicate increased salmon use between spring and summer. Our results do not support either strictly megafaunal specialists or generalized foragers but indicate that Ancient Beringian diets were complex and seasonally structured.

Download Full-text

Chemical profiling of ancient hearths reveals recurrent salmon use in Ice Age Beringia

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.1606219113 ◽

2016 ◽

Vol 113 (35) ◽

pp. 9757-9762 ◽

Cited By ~ 27

Author(s):

Kyungcheol Choy ◽

Ben A. Potter ◽

Holly J. McKinney ◽

Joshua D. Reuther ◽

Shiway W. Wang ◽

...

Keyword(s):

Stable Isotope ◽

Isotope Analysis ◽

Nitrogen Isotope ◽

Ice Age ◽

Faunal Remains ◽

Hunter Gatherers ◽

Chemical Profiling ◽

Strong Positive Relationship ◽

Food Residues ◽

Isotope Analyses

Current approaches to reconstruct subsistence and dietary trends in ancient hunter-gatherer societies include stable isotope analyses, but these have focused on human remains, cooking pottery, and food residues, which are relatively rare in the archaeological record. In contrast, short-term hearths are more ubiquitous worldwide, and these features can provide valuable evidence for ancient subsistence practices, particularly when faunal remains are not preserved. To test the suitability of hearths for this purpose, we conducted multiple chemical analyses: stable carbon and nitrogen isotope analyses of total organic matter (expressed as δ13C and δ15N values) and compound-specific carbon isotope analyses of individual fatty acids (δ13C16:0 and δ13C18:0) from 17 well-preserved hearths present in three occupations dating between ∼13,200–11,500 calibrated years B.P. at the Upward Sun River (USR) site in central Alaska. We combined δ15N and δ13CFA data in a Bayesian mixing model (stable isotope analysis in R) with concentration dependency to each hearth. Our model values were tested against faunal indices, indicating a strong positive relationship between marine proportional contributions to each hearth and salmon abundance. Results of the models show substantial anadromous salmon use in multiple USR components, indicating recurrent use of the site for salmon processing during the terminal Pleistocene. Our results demonstrate that salmonid and freshwater resources were more important for late Pleistocene hunter-gatherers than previously thought and highlight the potential of chemical profiling of hearth organic residues for providing greater geographic and temporal insights into resource use by prepottery societies.

Download Full-text

Multivariate statistical approach to comparison of the nutrient status of Norway spruce (Picea abies [L.] Karst.) and top-soil properties in differently managed forest stands

Journal of Forest Science ◽

10.17221/2173-jfs ◽

2008 ◽

Vol 53 (No. 3) ◽

pp. 101-112 ◽

Cited By ~ 3

Author(s):

P. Samec ◽

D. Vavříček ◽

P. Šimková ◽

J. Pňáček

Keyword(s):

Picea Abies ◽

Soil Properties ◽

Norway Spruce ◽

Principal Component ◽

Nutrient Status ◽

Element Cycling ◽

Multivariate Statistical ◽

Plant Soil ◽

Multivariate Statistical Approach ◽

Altitudinal Zone

The soil is an irreplaceable component of forest ecosystems. Soil-forming processes directly influence element cycling (EC). Plant-soil interaction is a specific part of EC. Plant-soil interactions were observed on an example of natural spruce stand (NSS), semi-natural spruce stand (SNSS) and allochthonous spruce stand (ASS) in conditions of the spruce forest altitudinal zone (1,140−1,260 m a.s.l.; +3.0°C; 1,200 mm) of the Hrubý Jeseník Mts. (Czech Republic, Central Europe), where Norway spruce (<i>Picea abies</i> [L.] Karst.) is the main edificator and stand-forming tree species. We evaluated the soil properties of H- and Ep-horizons at selected sites with Haplic and Skeletic Podzols and they were compared with the nutrient status of spruce. A method of the principal component analysis was used for definition of the basic hypotheses: (1) each forest stand is in specific and topically individual interactions with soil and these interactions influence its state, (2) the influence of forest management reflects in humification and in the nutrient status in plant assimilatory tissues. Cluster analysis calculated results comparable with the multivariate analysis of variance. The results show that the continuity of linear and multivariate statistical methods gives the approach to detection of the forest stage based on soil and plant tissue data.

Download Full-text