Untargeted Metabolomics Workshop Report: Quality Control Considerations from Sample Preparation to Data Analysis

2020 ◽  
Vol 31 (9) ◽  
pp. 2006-2010
Author(s):  
Prasad Phapale ◽  
Vineeta Rai ◽  
Ashok Kumar Mohanty ◽  
Sanjeeva Srivastava
2018 ◽  
Vol 4 (2) ◽  
pp. 33-42
Author(s):  
Fajar Adiyanto ◽  
Yuli Chomsatu Samrotun ◽  
Anita Wijayanti

This study is conducted to: 1) test and analyze the influence of educational level on financial report quality; 2) test and analyze the influence of work experience on financial report quality; 3) test and analyze the influence of accounting information system on financial report quality. This type of research i.e. research with quantitative data sources in this study is the primary data. Population in this study is all employees employed in district financial department in Surakarta with the sample amounted of 30 employees, where all population was taken as sample. The technique in this study use the question form. The data analysis in a linear regression multiple series program spss for windows version 17.0. From data analysis known that the variabel work experience (H2) and accounting information system comprehension (H3) have influence on financial report quality, and the educational level (H1) variable has no influence on financial report quality, with in the regression coefficient values show that showed a negative value i.e. t count-0.985 and significant value of 0.334


Author(s):  
Hua Younan

Abstract In wafer fabrication (Fab), Fluorine (F) based gases are used for Al bondpad opening process. Thus, even on a regular Al bondpad, there exists a low level of F contamination. However, the F level has to be controlled at a lower level. If the F level is higher than the control/spec limits, it could cause F-induced corrosion and Al-F defects, resulting in pad discoloration and NSOP problems. In our previous studies [1-5], the theories, characteristics, chemical and physical failure mechanisms and the root causes of the F-induced corrosion and Al-F defects on Al bondpads have been studied. In this paper, we further study F-induced corrosion and propose to establish an Auger monitoring system so as to monitor the F contamination level on Al bondpads in wafer fabrication. Auger monitoring frequency, sample preparation, wafer life, Auger analysis points, control/spec limits and OOC/OOS quality control procedures are also discussed.


1972 ◽  
Vol 18 (3) ◽  
pp. 250-257 ◽  
Author(s):  
J H Riddick ◽  
Roger Flora ◽  
Quentin L Van Meter

Abstract A system of quality-control data analysis by computer is described, in which two-way analysis of variance is used for partitioning sources of laboratory error into day-to-day, within-day, betweenpools and additivity variation. The partition for additivity is described in detail as to its advantages and applications. In addition, control charts based on two-way analysis of variance computations are prepared each month by computer. This computer program is designed to operate with the IBM 1800 or 1130 computers or any computer with a Fortran IV compiler. Examples are presented of use of the control charts and of tables of analysis of variance.


PLoS ONE ◽  
2021 ◽  
Vol 16 (11) ◽  
pp. e0260354
Author(s):  
Emmanuelle Lebeau-Roche ◽  
Gaëlle Daniele ◽  
Aurélie Fildier ◽  
Cyril Turies ◽  
Odile Dedourge-Geffard ◽  
...  

Environmental metabolomics has become a growing research field to understand biological and biochemical perturbations of organisms in response to various abiotic or biotic stresses. It focuses on the comprehensive and systematic analysis of a biologic system’s metabolome. This allows the recognition of biochemical pathways impacted by a stressor, and the identification of some metabolites as biomarkers of potential perturbations occurring in a body. In this work, we describe the development and optimization of a complete reliable methodology based on liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS) for untargeted metabolomics studies within a fish model species, the three-spined stickleback (Gasterosteus aculeatus). We evaluated the differences and also the complementarities between four different matrices (brain, gills, liver and whole fish) to obtain metabolome information. To this end, we optimized and compared sample preparation and the analytical method, since the type and number of metabolites detected in any matrix are closely related to these latter. For the sample preparation, a solid-liquid extraction was performed on a low quantity of whole fish, liver, brain, or gills tissues using combinations of methanol/water/heptane. Based on the numbers of features observed in LC-HRMS and on the responses of analytical standards representative of different metabolites groups (amino acids, sugars…), we discuss the influence of the nature, volume, and ratio of extraction solvents, the sample weight, and the reconstitution solvent. Moreover, the analytical conditions (LC columns, pH and additive of mobile phases and ionization modes) were also optimized so as to ensure the maximum metabolome coverages. Thus, two complementary chromatographic procedures were combined in order to cover a broader range of metabolites: a reversed phase separation (RPLC) on a C18 column followed by detection with positive ionization mode (ESI+) and a hydrophilic interaction chromatography (HILIC) on a zwitterionic column followed by detection with negative ionization mode (ESI-). This work provides information on brain, gills, liver, vs the whole body contribution to the stickleback metabolome. These information would help to guide ecotoxicological and biomonitoring studies.


Planta Medica ◽  
2021 ◽  
Author(s):  
Luiz C. Klein-Junior ◽  
Maira R. de Souza ◽  
Johan Viaene ◽  
Tania M. B. Bresolin ◽  
André L. de Gasper ◽  
...  

AbstractHerbal medicines are important options for the treatment of several illnesses. Although their therapeutic applicability has been demonstrated throughout history, several concerns about their safety and efficacy are raised regularly. Quality control of articles of botanical origin, including plant materials, plant extracts, and herbal medicines, remains a challenge. Traditionally, qualitative (e.g., identification and chromatographic profile) and quantitative (e.g., content analyses) markers are applied for this purpose. The compound-oriented approach may stand alone in some cases (e.g., atropine in Atropa belladonna). However, for most plant materials, plant extracts, and herbal medicines, it is not possible to assure quality based only on the content or presence/absence of one (sometimes randomly selected) compound. In this sense, pattern-oriented approaches have been extensively studied, introducing the use of multivariate data analysis on chromatographic/spectroscopic fingerprints. The use of genetic methods for plant material/plant extract authentication has also been proposed. In this study, traditional approaches are reviewed, although the focus is on the applicability of fingerprints for quality control, highlighting the most used approaches, as well as demonstrating their usefulness. The literature review shows that a pattern-oriented approach may be successfully applied to the quality assessment of articles of botanical origin, while also providing directions for a compound-oriented approach and a rational marker selection. These observations indicate that it may be worth considering to include fingerprints and their data analysis in the regulatory framework for herbal medicines concerning quality control since this is the foundation of the holistic view that these complex products demand.


2021 ◽  
Author(s):  
Melanie Christine Föll ◽  
Veronika Volkmann ◽  
Kathrin Enderle-Ammour ◽  
Konrad Wilhelm ◽  
Dan Guo ◽  
...  

Background: Mass spectrometry imaging (MSI) derives spatial molecular distribution maps directly from clinical tissue specimens. This allows for spatial characterization of molecular compositions of different tissue types and tumor subtypes, which bears great potential for assisting pathologists with diagnostic decisions or personalized treatments. Unfortunately, progress in translational MSI is often hindered by insufficient quality control and lack of reproducible data analysis. Raw data and analysis scripts are rarely publicly shared. Here, we demonstrate the application of the Galaxy MSI tool set for the reproducible analysis of an urothelial carcinoma dataset. Methods: Tryptic peptides were imaged in a cohort of 39 formalin-fixed, paraffin-embedded human urothelial cancer tissue cores with a MALDI-TOF/TOF device. The complete data analysis was performed in a fully transparent and reproducible manner on the European Galaxy Server. Annotations of tumor and stroma were performed by a pathologist and transferred to the MSI data to allow for supervised classifications of tumor vs. stroma tissue areas as well as for muscle-infiltrating and non-muscle invasive urothelial carcinomas. For putative peptide identifications, m/z features were matched to the MSiMass list. Results: Rigorous quality control in combination with careful pre-processing enabled reduction of m/z shifts and intensity batch effects. High classification accuracy was found for both, tumor vs. stroma and muscle-infiltrating vs. non-muscle invasive tumors. Some of the most discriminative m/z features for each condition could be assigned a putative identity: Stromal tissue was characterized by collagen type I peptides and tumor tissue by histone and heat shock protein beta-1 peptides. Intermediate filaments such as cytokeratins and vimentin were discriminative between the tumors with different muscle-infiltration status. To make the study fully reproducible and to advocate the criteria of FAIR (findability, accessibility, interoperability, and reusability) research data, we share the raw data, spectra annotations as well as all Galaxy histories and workflows. Data are available via ProteomeXchange with identifier PXD026459 and Galaxy results via https://github.com/foellmelanie/Bladder_MSI_Manuscript_Galaxy_links. Conclusion: Here, we show that translational MSI data analysis in a fully transparent and reproducible manner is possible and we would like to encourage the community to join our efforts.


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