A new approach for a modular valuation of LCAs

Goal Scope and Background

Qualitative valuation methods carefully try to avoid an aggregation across impact categories. However, such an aggregation often helps in obtaining a clear result for the valuation (which product scores better?). This article presents a new valuation method that uses an iterative approach. The application is demonstrated by the help of a case study for electric motors in trains.

Methods / Main Features

The approach combines two existing, unique valuation methods described earlier in literature, which both are of a rather non-aggregating nature, in line with ISO requirements, and were designed to be performed by LCA experts. The method is implemented in a computer software. Besides constants used within the method, the software needs as input solely indicator values from the Impact Assessment.

Results and Discussion

The iterative nature of these methods itself, and especially the combination of these methods, helps in achieving a valuation result for the LCA with not more subjective and aggregating elements than necessary. Subjective elements are clearly separated from others. The algorithm seems highly sensitive to changes in impact categories regarded as important ones. The implementation in software greatly eases the application of the method by transferring routine work from LCA experts to a machine. It ensures a reproducible result and prevents erroneous steps in a rather complicated valuation procedure. It further helps in hiding the complexity of the method from the user.

Conclusion

The approach of combining valuation methods in LCAs seems a fruitful one, and shows benefits when implemented in computer software, in terms of usability, and in terms of a more reproducible application. Care has to be taken to make sure users know what they do when performing an automated valuation procedure.

Outlook

We see three ways for extending the approach, namely: (i) become part of a toolbox of different valuation procedures; (ii) explicitly cope with uncertainty, and (iii) include different values for normalisation, in different regions worldwide. The software will be made available also in a stand alone version.

     

Resource depletion assessment of renewable electricity generation technologies—comparison of life cycle impact assessment methods with focus on mineral resources

Purpose

Renewable energies are promoted in order to reduce greenhouse gas emissions and the depletion of fossil fuels. However, plants for renewable electricity production incorporate specifically higher amounts of materials being rated as potentially scarce. Therefore, it is in question which (mineral) resources contribute to the overall resource consumption and which of the manifold impact assessment methods can be recommended to cover an accurate and complete investigation of resource use for renewable energy technologies.

Methods

Life cycle assessment is conducted for different renewable electricity production technologies (wind, photovoltaics, and biomass) under German conditions and compared to fossil electricity generation from a coal-fired power plant. Focus is given on mineral resource depletion for these technologies. As no consensus has been reached so far as to which impact assessment method is recommended, different established as well as recently developed impact assessment methods (CML, ReCiPe, Swiss Ecoscarcity, and economic scarcity potential (ESP)) are compared. The contribution of mineral resources to the overall resource depletion as well as potential scarcity are identified.

Results and discussion

Overall resource depletion of electricity generation technologies tends to be dominated by fossil fuel depletion; therefore, most renewable technologies reduce the overall resource depletion compared to a coal-fired power plant. But, in comparison to fossil electricity generation from coal, mineral resource depletion is increased by wind and solar power. The investigated methods rate different materials as major contributors to mineral resource depletion, such as gallium used in photovoltaic plants (Swiss Ecoscarcity), gold and copper incorporated in electrical circuits and in cables (CML and ReCiPe), and nickel (Swiss Ecoscarcity and ReCiPe) and chromium (ESP) for stainless steel production. However, some methods lack characterization factors for potentially important materials.

Conclusions

If mineral resource use is investigated for technologies using a wider spectrum of potentially scarce minerals, practitioners need to choose the impact assessment method carefully according to their scope and check if all important materials are covered. Further research is needed for an overall assessment of different resource compartments.

     

Incidence of T315I mutation in BCR/ABL-positive CML and ALL patients

Objectives

Targeted therapy of Philadelphia-positive ALL and CML patients using imatinib (IM) has caused significant changes in treatment course and has increased the survival of patients. A small group of patients show resistance to IM. Acquired mutations in tyrosine kinase domain of BCR-ABL protein are a mechanism for development of resistance. T315I is one of the most common acquired mutations in this domain, which occurs in ATP binding site and inhibits the formation of hydrogen bond with IM. The aim of this study was to evaluate the prevalence of this mutation in BCR/ABL-positive CML and ALL patients.

Methods

To conduct this study, 60 BCR-ABL-positive patients (including 50 CML and 10 ALL patients) who were subject to treatment with IM were selected. After taking the samples, presence of T315I mutation was assessed using ARMS-PCR on cDNA and its polymorphism was evaluated by sequencing.

Results

The results showed that among 60 patients, only three patients had T315I mutation, which was detected using ARMS technique. The three patients bearing mutation were afflicted with CML and no significant association was found between blood parameters with duration of treatment in presence of mutation.

Conclusions

The mutation was found in three CML patients, which indicated lower likelihood and diagnostic value of this mutation in ALL patients. Given the negative direct sequencing results in T315I patients, it can be concluded that ARMS-PCR is a more sensitive technique when the number of cancer cells is low in patients during treatment.

     

Distance-to-Target Weighting in Life Cycle Impact Assessment Based on Chinese Environmental Policy for the Period 1995-2005 (6 pp)

Background and Objective

. Values in the known weighting methods in Life Cycle Assessment are mostly founded by the societal systems of developed countries. What source of weights and which weighting methods are reliable for a big developing country like China? The purpose of this paper is to find a possible weighting method and available data that will work well for LCA practices conducted in China. Since government policies and decisions play a leading role in the process of environmental protection in developing countries, the weights derived from political statements may be a consensus by representatives of the public.

Methods

'Distance-to-political target' principle is used in this paper to derive weights of five problem-oriented impact categories. The critical policy targets are deduced from the environmental policies issued in the period of the Ninth Five-year (1996-2000) and the Tenth Five-year (2001-2005) Plan for the Development of National Economy and Society of China. Policy targets on two five-year periods are presented and analyzed. Weights are determined by the quotient between the reference levels and target levels of a certain impact category.

Results and Discussion

Since the Tenth Five-year Plan put forward the overall objective to reduce the level of regional pollution by 2005, the weights for AP, EP and POCP for 2000-2005 are more than 1. By comparison between the Ninth Five-year and Tenth Five-year period, the results show that the weights obtained in this paper effectively represent Chinese political environmental priorities in different periods. For the weights derived from China's political targets for the overall period 1995-2005, the rank order of relative importance is ODP>AP>POCP>EP>GWP. They are recommended to the potential users for the broader disparity among the five categories. By comparison with the weights presented by the widespread EDIP method, the result shows that there's a big difference in the relative importance of ozone depletion and global warming.

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In conclusion, the weighting factors and rank order of impact categories determined in this study represent the characteristics of the big developing country. The derived weighting set can be helpful to LCA practices of products within the industrial systems of China.

     

Photochemical ozone creation potentials

Goal, Scope and Background

Photochemical ozone creation potentials (POCPs) typically used in life cycle impact assessment (LCIA) to address the impact category ‘photo-oxidant formation’ only provide factors for particular volatile organic compounds and do not take into account background concentrations and meteorological conditions. However, the formation of ozone from volatile organic compounds (VOCs), carbon monoxide (CO) and nitrogen oxides (NOx) is highly dependent on the background pollutant concentrations and meteorological conditions. Some LCIA manuals therefore recommend working with potentials for high background concentrations of NOx (Derwent 1998), and potentials for low background concentrations of NOx (Andersson-Sköld 1992).

Objectives

This study has introduced an improved set of POCPs independently of meteorological and emission conditions specific to a given period or location. Whereas current POCP values may be relevant to estimate the photo-oxidant formation over a certain (temporally and spatially well-defined) domain, this study has further introduced more relevant values with respect to potential impacts of ozone on human health and environment.

Methods

For the computation of POCP values on the scale of Western Europe, independently of meteorological and emission conditions specific to a given period or location, a Eulerian chemistry-transport numerical model (CHIMERE-continental) has been implemented over three summer seasons. POCPs have been evaluated for ten VOC species (including the whole VOC group), CO and NOx. The coherence of this new set of POCP values with previous studies has been checked. The spatial representa-tivity of POCP values over the simulation domain in Europe has also been addressed. The robustness of these POCP values to changes in the implemented chemical mechanism used in our model has been checked.

Results and Discussion

The POCPs computed in this study were generally lower than the POCPs calculated in previous studies. In the previous studies, but not here, the POCPs have been calculated with particular meteorological conditions (during anti-cyclonic, fair weather conditions) or emission levels (high polluted backgrounds) known to be optimal with respect to ozone formation. Despite the quantitative variations in the POCP values, we have found a good agreement in the relative ranking of the pollutant species between this study and previous studies. It was also shown that POCP values display significant spatial variability over Western Europe (the largest spatial differences were obtained for NO_x where the sign of the POCP value even changes from region to region).

Conclusions

Finally, the temporally and spatially averaged values obtained here for the POCP index update previous values and represent an attempt to generate the most appropriate and accurate scale for European conditions independently of meteorological and emission conditions specific to a given period or location.

Recommendations and Outlook

These new PCOPs should be useful to LCIA-practitioners in further life cycle impact assessment. However, for the NO_x species, we do not recommend the use of the POCP value for LCIA.

     

Comparative LCA of ethanol versus gasoline in Brazil using different LCIA methods

Purpose

The main objective of this study is to expand the discussion about how, and to what extent, the environmental performance is affected by the use of different life cycle impact assessment (LCIA) illustrated by the case study of the comparison between environmental impacts of gasoline and ethanol form sugarcane in Brazil.

Methods

The following LCIA methods have been considered in the evaluation: CML 2001, Impact 2002+, EDIP 2003, Eco-indicator 99, TRACI 2, ReCiPe, and Ecological Scarcity 2006. Energy allocation was used to split the environmental burdens between ethanol and surplus electricity generated at the sugarcane mill. The phases of feedstock and (bio)fuel production, distribution, and use are included in system boundaries.

Results and discussion

At the midpoint level, comparison of different LCIA methods showed that ethanol presents lower impacts than gasoline in important categories such as global warming, fossil depletion, and ozone layer depletion. However, ethanol presents higher impacts in acidification, eutrophication, photochemical oxidation, and agricultural land use categories. Regarding to single-score indicators, ethanol presented better performance than gasoline using ReCiPe Endpoint LCIA method. Using IMPACT 2002+, Eco-indicator 99, and Ecological Scarcity 2006, higher scores are verified for ethanol, mainly due to the impacts related to particulate emissions and land use impacts.

Conclusions

Although there is a relative agreement on the results regarding equivalent environmental impact categories using different LCIA methods at midpoint level, when single-score indicators are considered, use of different LCIA methods lead to different conclusions. Single-score results also limit the interpretability at endpoint level, as a consequence of small contributions of relevant environmental impact categories weighted in a single-score indicator.     

Life cycle assessment of copper production: a case study in China

Purpose

China is the world’s largest producer and consumer of refined and reclaimed copper because of the rapid economic and industrial development of this country. However, only a few studies have analyzed the environmental impact of China’s copper industry. The current study analyzes the life cycle environmental impact of copper production in China.

Methods

A life cycle impact assessment using the ReCiPe method was conducted to estimate the environmental impact of refined and reclaimed copper production in China. Uncertainty analysis was also performed based on the Monte-Carlo simulation.

Results and discussion

The environmental impact of refined copper was higher than that of reclaimed copper in almost all categories except for human toxicity because of the direct atmospheric arsenic emission during the copper recycling stage. The overall environmental impact for the refined copper production was mainly attributed to metal depletion, freshwater ecotoxicity, marine ecotoxicity, and water depletion potential impact. By contrast, that for the reclaimed copper production was mainly caused by human toxicity impact.

Conclusions

Results show that the reclaimed copper scenario had approximately 59 to 99% more environmental benefits than those of the refined copper scenario in most key categories except for human toxicity, in which a similar environmental burden was observed between both scenarios. The key factors that reduce the overall environmental impact for China’s copper industry include decreasing direct heavy metal emissions in air and water, increasing the national recycling rate of copper, improving electricity consumption efficiency, replacing coal with clean energy sources for electricity production, and optimizing the efficiency of copper ore mining and consumption.

     

Using an NMR metabolomics approach to investigate the pathogenicity of amyloid-beta and alpha-synuclein

Introduction

The pathogenicity at differing points along the aggregation pathway of many fibril-forming proteins associated with neurodegenerative diseases is unclear. Understanding the effect of different aggregation states of these proteins on cellular processes is essential to enhance understanding of diseases and provide future options for diagnosis and therapeutic intervention.

Objectives

To establish a robust method to probe the metabolic changes of neuronal cells and use it to monitor cellular response to challenge with three amyloidogenic proteins associated with neurodegenerative diseases in different aggregation states.

Method

Neuroblastoma SH-SY5Y cells were employed to design a robust routine system to perform a statistically rigorous NMR metabolomics study into cellular effects of sub-toxic levels of alpha-synuclein, amyloid-beta 40 and amyloid-beta 42 in monomeric, oligomeric and fibrillar conformations.

Results

This investigation developed a rigorous model to monitor intracellular metabolic profiles of neuronal cells through combination of existing methods. This model revealed eight key metabolites that are altered when neuroblastoma cells are challenged with proteins in different aggregation states. Metabolic pathways associated with lipid metabolism, neurotransmission and adaptation to oxidative stress and inflammation are the predominant contributors to the cellular variance and intracellular metabolite levels. The observed metabolite changes for monomer and oligomer challenge may represent cellular effort to counteract the pathogenicity of the challenge, whereas fibrillar challenge is indicative of system shutdown. This implies that although markers of stress are more prevalent under oligomeric challenge the fibrillar response suggests a more toxic environment.

Conclusion

This approach is applicable to any cell type that can be cultured in a laboratory (primary or cell line) as a method of investigating how protein challenge affects signalling pathways, providing additional understanding as to the role of protein aggregation in neurodegenerative disease initiation and progression.

     

Using multitask classification methods to investigate the kinase-specific phosphorylation sites

Background

Identification of phosphorylation sites by computational methods is becoming increasingly important because it reduces labor-intensive and costly experiments and can improve our understanding of the common properties and underlying mechanisms of protein phosphorylation.

Methods

A multitask learning framework for learning four kinase families simultaneously, instead of studying each kinase family of phosphorylation sites separately, is presented in the study. The framework includes two multitask classification methods: the Multi-Task Least Squares Support Vector Machines (MTLS-SVMs) and the Multi-Task Feature Selection (MT-Feat3).

Results

Using the multitask learning framework, we successfully identify 18 common features shared by four kinase families of phosphorylation sites. The reliability of selected features is demonstrated by the consistent performance in two multi-task learning methods.

Conclusions

The selected features can be used to build efficient multitask classifiers with good performance, suggesting they are important to protein phosphorylation across 4 kinase families.

     

Optimization of fecal sample preparation for untargeted LC-HRMS based metabolomics

Introduction

Collecting feces is easy. It offers direct outcome to endogenous and microbial metabolites.

Objectives

In a context of lack of consensus about fecal sample preparation, especially in animal species, we developed a robust protocol allowing untargeted LC-HRMS fingerprinting.

Methods

The conditions of extraction (quantity, preparation, solvents, dilutions) were investigated in bovine feces.

Results

A rapid and simple protocol involving feces extraction with methanol (1/3, M/V) followed by centrifugation and a step filtration (10 kDa) was developed.

Conclusion

The workflow generated repeatable and informative fingerprints for robust metabolome characterization.

     

Orthostatic responses in adolescent chronic fatigue syndrome: contributions from expectancies as well as gravity

Background

Orthostatic intolerance is common in chronic fatigue syndrome (CFS), and several studies have documented an abnormal sympathetic predominance in the autonomic cardiovascular response to gravitational stimuli. The aim of this study was to explore whether the expectancies towards standing are contributors to autonomic responses in addition to the gravitational stimulus itself.

Methods

A total of 30 CFS patients (12–18 years of age) and 39 healthy controls underwent 20° head-up tilt test and a motor imagery protocol of standing upright. Beat-to-beat cardiovascular variables were recorded.

Results

At supine rest, CFS patients had significantly higher heart rate, diastolic blood pressure, and mean arterial blood pressure, and lower stroke index and heart rate variability (HRV) indices. The response to 20° head-up tilt was identical in the two groups. The response to imaginary upright position was characterized by a stronger increase of HRV indices of sympathetic predominance (power in the low-frequency range as well as the ratio low-frequency: high-frequency power) among CFS patients.

Conclusions

These results suggest that in CFS patients expectancies towards orthostatic challenge might be additional determinants of autonomic cardiovascular modulation along with the gravitational stimulus per se.

     

NIST lipidomics workflow questionnaire: an assessment of community-wide methodologies and perspectives

Introduction

Efforts to harmonize lipidomic methodologies have been limited within the community. Here, we aimed to capitalize on the recent National Institute of Standards and Technology lipidomics interlaboratory comparison exercise by implementing a questionnaire that assessed current methodologies, quantitation strategies, standard operating procedures (SOPs), and quality control activities employed by the lipidomics community.

Objectives

Lipidomics is a rapidly developing field with diverse applications. At present, there are no community-vetted methods to assess measurement comparability or data quality. Thus, a major impetus of this questionnaire was to profile current efforts, highlight areas of need, and establish future objectives in an effort to harmonize lipidomics workflows.

Methods

The 54-question survey inquired about laboratory demographics, lipidomic methodologies and SOPs, analytical platforms, quantitation, reference materials, quality control procedures, and opinions regarding challenges existing within the community.

Results

A total of 125 laboratories participated in the questionnaire. A broad overview of results highlighted a wide methodological diversity within current lipidomic workflows. The impact of this diversity on lipid measurement and quantitation is currently unknown and needs to be explored further. While some laboratories do incorporate SOPs and quality control activities, these concepts have not been fully embraced by the community. The top five perceived challenges within the lipidomics community were a lack of standardization amongst methods/protocols, lack of lipid standards, software/data handling and quantification, and over-reporting/false positives.

Conclusion

The questionnaire provided an overview of current lipidomics methodologies and further promoted the need for community-accepted guidelines and protocols. The questionnaire also served as a platform to help determine and prioritize metrological issues to be investigated.

     

Quantifying system uncertainty of life cycle assessment based on Monte Carlo simulation

Background, aim, and scope

Many studies evaluate the results of applying different life cycle impact assessment (LCIA) methods to the same life cycle inventory (LCI) data and demonstrate that the assessment results would be different with different LICA methods used. Although the importance of uncertainty is recognized, most studies focus on individual stages of LCA, such as LCI and normalization and weighting stages of LCIA. However, an important question has not been answered in previous studies: Which part of the LCA processes will lead to the primary uncertainty? The understanding of the uncertainty contributions of each of the LCA components will facilitate the improvement of the credibility of LCA.

Methodology

A methodology is proposed to systematically analyze the uncertainties involved in the entire procedure of LCA. The Monte Carlo simulation is used to analyze the uncertainties associated with LCI, LCIA, and the normalization and weighting processes. Five LCIA methods are considered in this study, i.e., Eco-indicator 99, EDIP, EPS, IMPACT 2002+, and LIME. The uncertainty of the environmental performance for individual impact categories (e.g., global warming, ecotoxicity, acidification, eutrophication, photochemical smog, human health) is also calculated and compared. The LCA of municipal solid waste management strategies in Taiwan is used as a case study to illustrate the proposed methodology.

Results

The primary uncertainty source in the case study is the LCI stage under a given LCIA method. In comparison with various LCIA methods, EDIP has the highest uncertainty and Eco-indicator 99 the lowest uncertainty. Setting aside the uncertainty caused by LCI, the weighting step has higher uncertainty than the normalization step when Eco-indicator 99 is used. Comparing the uncertainty of various impact categories, the lowest is global warming, followed by eutrophication. Ecotoxicity, human health, and photochemical smog have higher uncertainty.

Discussion

In this case study of municipal waste management, it is confirmed that different LCIA methods would generate different assessment results. In other words, selection of LCIA methods is an important source of uncertainty. In this study, the impacts of human health, ecotoxicity, and photochemical smog can vary a lot when the uncertainties of LCI and LCIA procedures are considered. For the purpose of reducing the errors of impact estimation because of geographic differences, it is important to determine whether and which modifications of assessment of impact categories based on local conditions are necessary.

Conclusions

This study develops a methodology of systematically evaluating the uncertainties involved in the entire LCA procedure to identify the contributions of different assessment stages to the overall uncertainty. Which modifications of the assessment of impact categories are needed can be determined based on the comparison of uncertainty of impact categories.

Recommendations and perspectives

Such an assessment of the system uncertainty of LCA will facilitate the improvement of LCA. If the main source of uncertainty is the LCI stage, the researchers should focus on the data quality of the LCI data. If the primary source of uncertainty is the LCIA stage, direct application of LCIA to non-LCIA software developing nations should be avoided.     

Anchoring quartet-based phylogenetic distances and applications to species tree reconstruction

Background

Inferring species trees from gene trees using the coalescent-based summary methods has been the subject of much attention, yet new scalable and accurate methods are needed.

Results

We introduce DISTIQUE, a new statistically consistent summary method for inferring species trees from gene trees under the coalescent model. We generalize our results to arbitrary phylogenetic inference problems; we show that two arbitrarily chosen leaves, called anchors, can be used to estimate relative distances between all other pairs of leaves by inferring relevant quartet trees. This results in a family of distance-based tree inference methods, with running times ranging between quadratic to quartic in the number of leaves.

Conclusions

We show in simulated studies that DISTIQUE has comparable accuracy to leading coalescent-based summary methods and reduced running times.

     

LCA of electronic products

Intention, Goal, Scope, Background

A new paradigm called System-In-a-Package (SIP) is expected to represent the wave of future microsystem packaging and integration. No environmental assessment has been made of manufacturing processes for SIP and the purpose of this paper is to assess the upstream environmental impact of the process used by Chalmers to manufacture an electronic product using the SIP technology.

Objectives

This paper aims at an environmental assessment of a gallium arsenide (GaAs) Monolithic Microwave Integrated Circuit (MMIC) Switch Product based on a so-called SIP concept on a Liquid Crystalline Polymer (LCP) substrate. This study focuses on the identification of environmentally substantial upstream processes from cradle-to-gate for this product.

Methods

This work is based on a life cycle inventory model that has been developed earlier by the authors, and this model is now applied to the system including the straight-line manufacturing processes in the facilities of the Microtechnology Centre (MC2) at Chalmers University of Technology and the manufacturing processes of raw materials in the upstream processes. A main scenario was built in the LCA software EcoLab corresponding to the linear process in MC2 and other manufacturing processes were identified in the upstream which were used to develop the upstream process tree.

Results and Discussion

The spin coating of photoresistant material has the highest environmental impact within the system boundaries and the uncertainty of the results is estimated to be small. The exposure and development as well as deposition stages also give impacts, both for the copper and resistant material deposition. In the manufacturing processes inside MC2, the electricity consumption clearly dominates. The results predominantly reflect energy use, whereas toxicological aspects could not be reliably assessed due to lack of data and reliable methods, and therefore needs separate attention. Nevertheless, a toxicology assessment has been made with the Toxic Potential Indicator (TPI), which, compared to a telephone, showed a relatively large value for the switch. The toxic potential of the switch is higher per mass unit than a digital telephone.

Conclusions

The previously developed LCA data collection model worked well for the SIP product. The electricity consumption for the deposition machine and the solvent consumption in spin coating are the two most important hot spots. For greenhouse warming potential the acetone consumption in the spin coating steps is the most significant contributor, and the copper consumption in the copper deposition step dominates for abiotic resource depletion.

Recommendations and Outlook

It is recommended that the machines in the MC2 process lab used to manufacture the SIP product are studied for a longer period of time as it would make the electricity consumption figures more accurate. More electronic packaging concepts, such as System-on-a-chip (SOC) and multichip modules (MCM), should be evaluated and compared to SIP.

     

Association of mitochondrial dysfunction and lipid metabolism with type 2 diabetes mellitus: A review of literature

Background

Diabetes mellitus (DM) is one of the most prevalent chronic diseases, and its prevalence continues to increase globally. The impact of mitochondrial dysfunction and lipid metabolism on diabetes mellitus and insulin resistance (IR) has been implicated in several previous reports; however, the results of studies are confusing despite four decades of study.

Methods/Results

This review has evaluated updated understanding of the role of mitochondrial dysfunction and lipid metabolism on type 2 diabetes, and found that mitochondrial dysfunction and lipid metabolism disorder induce the dysregulation of liver and pancreatic beta cells, insulin resistance, and type 2 diabetes.

Conclusion

Mitochondrial dysfunction and lipid metabolism induce metabolic dysregulation and finally increasing the possibility of diabetes.

     

Iridoid and phenylethanoid/phenylpropanoid metabolite profiles of <Emphasis Type="Italic">Scrophularia</Emphasis> and <Emphasis Type="Italic">Verbascum</Emphasis> species used medicinally in North America

Introduction

Botanicals containing iridoid and phenylethanoid/phenylpropanoid glycosides are used worldwide for the treatment of inflammatory musculoskeletal conditions that are primary causes of human years lived with disability, such as arthritis and lower back pain.

Objectives

We report the analysis of candidate anti-inflammatory metabolites of several endemic Scrophularia species and Verbascum thapsus used medicinally by peoples of North America.

Methods

Leaves, stems, and roots were analyzed by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and partial least squares-discriminant analysis (PLS-DA) was performed in MetaboAnalyst 3.0 after processing the datasets in Progenesis QI.

Results

Comparison of the datasets revealed significant and differential accumulation of iridoid and phenylethanoid/phenylpropanoid glycosides in the tissues of the endemic Scrophularia species and Verbascum thapsus.

Conclusions

Our investigation identified several species of pharmacological interest as good sources for harpagoside and other important anti-inflammatory metabolites.

     

NMRProcFlow: a graphical and interactive tool dedicated to 1D spectra processing for NMR-based metabolomics

Introduction

Concerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks.

Objectives

The objective of NMRProcFlow is to assist the expert in this task in the best way without requirement of programming skills.

Methods

NMRProcFlow was developed to be a graphical and interactive 1D NMR (¹H & ¹³C) spectra processing tool.

Results

NMRProcFlow (http://nmrprocflow.org), dedicated to metabolic fingerprinting and targeted metabolomics, covers all spectra processing steps including baseline correction, chemical shift calibration and alignment.

Conclusion

Biologists and NMR spectroscopists can easily interact and develop synergies by visualizing the NMR spectra along with their corresponding experimental-factor levels, thus setting a bridge between experimental design and subsequent statistical analyses.

     

Lipid phenotyping of lung epithelial lining fluid in healthy human volunteers

Background

Lung epithelial lining fluid (ELF)—sampled through sputum induction—is a medium rich in cells, proteins and lipids. However, despite its key role in maintaining lung function, homeostasis and defences, the composition and biology of ELF, especially in respect of lipids, remain incompletely understood.

Objectives

To characterise the induced sputum lipidome of healthy adult individuals, and to examine associations between different ELF lipid phenotypes and the demographic characteristics within the study cohort.

Methods

Induced sputum samples were obtained from 41 healthy non-smoking adults, and their lipid compositions analysed using a combination of untargeted shotgun and liquid chromatography mass spectrometry methods. Topological data analysis (TDA) was used to group subjects with comparable sputum lipidomes in order to identify distinct ELF phenotypes.

Results

The induced sputum lipidome was diverse, comprising a range of different molecular classes, including at least 75 glycerophospholipids, 13 sphingolipids, 5 sterol lipids and 12 neutral glycerolipids. TDA identified two distinct phenotypes differentiated by a higher total lipid content and specific enrichments of diacyl-glycerophosphocholines, -inositols and -glycerols in one group, with enrichments of sterols, glycolipids and sphingolipids in the other. Subjects presenting the lipid-rich ELF phenotype also had significantly higher BMI, but did not differ in respect of other demographic characteristics such as age or gender.

Conclusions

We provide the first evidence that the ELF lipidome varies significantly between healthy individuals and propose that such differences are related to weight status, highlighting the potential impact of (over)nutrition on lung lipid metabolism.