scholarly journals Protocol for Community-created Public MS/MS Reference Library Within the GNPS Infrastructure

2019 ◽  
Author(s):  
Fernando Vargas ◽  
Kelly C. Weldon ◽  
Nicole Sikora ◽  
Mingxun Wang ◽  
Zheng Zhang ◽  
...  

AbstractRationaleA major hurdle in identifying chemicals in mass spectrometry experiments is the availability of MS/MS reference spectra in public databases. Currently, scientists purchase databases or use public databases such as GNPS. The MSMS-Chooser workflow empowers the creation of MS/MS reference spectra directly in the GNPS infrastructure.MethodsAn MSMS-Chooser sample template was completed with the required information and sequence tables were generated programmatically. Standards in methanol-water (1:1) solution (1 μM) were placed into wells individually. An LC-MS/MS system using data-dependent acquisition in positive and negative modes was used. Species that may be generated under typical ESI conditions are chosen. The MS/MS spectra and MSMS-Chooser sample template were subsequently uploaded to MSMS-Chooser in GNPS for automatic MS/MS spectral annotation.ResultsData acquisition quickly and effectively collected MS/MS spectra. MSMS-Chooser was able to accurately annotate 99.2% of the manually validated MS/MS scans that were generated from the chemical standards. The output of MSMS-Chooser includes a table ready for inclusion in the GNPS library (after inspection) as well as the ability to directly launch searches via MASST. Altogether, the data acquisition, processing, and upload to GNPS took ~2 hours for our proof-of-concept results.ConclusionsThe MSMS-Chooser workflow enables the rapid data acquisition, analysis, and annotation of chemical standards, and uploads the MS/MS spectra to community-driven GNPS. MSMS-Chooser democratizes the creation of MS/MS reference spectra in GNPS which will improve annotation and strengthen the tools which use the annotation information.

Author(s):  
Saipira Furstenberg ◽  
Edward Lemon ◽  
John Heathershaw

Abstract This article theorises the repressive security practices of authoritarian states in the context of transnationalism and globalisation. While emerging research on transnational repression has identified a range of extraterritorial and exceptional security practices adopted by authoritarian states, it has not fully studied the implications of such practices on space and statecraft. Using data from the Central Asia Political Exile Database project (CAPE) and interviews conducted with exiled Tajik opposition groups based in Russia and Europe, we theorise the spatial connections between the territorial and extraterritorial security practices using the concept of assemblages. We further outline how these practices escalate in a three-stage model, in which exiles go on notice, are detained and then rendered or assassinated. Such an approach sheds light on the inherent links between the normalisation of security practices and the creation of transnational space with distinct forms of geographical state power that is embedded in non-national spaces and is manifested through spatially organised actors, networks, and technologies within assemblages.


2020 ◽  
Vol 3 (S1) ◽  
Author(s):  
Michael Brand ◽  
Davood Babazadeh ◽  
Carsten Krüger ◽  
Björn Siemers ◽  
Sebastian Lehnhoff

Abstract Modern power systems are cyber-physical systems with increasing relevance and influence of information and communication technology. This influence comprises all processes, functional, and non-functional aspects like functional correctness, safety, security, and reliability. An example of a process is the data acquisition process. Questions focused in this paper are, first, how one can trust in process data in a data acquisition process of a highly-complex cyber-physical power system. Second, how can the trust in process data be integrated into a state estimation to achieve estimated results in a way that it can reflect trustworthiness of that input?We present the concept of an anomaly-sensitive state estimation that tackles these questions. The concept is based on a multi-faceted trust model for power system network assessment. Furthermore, we provide a proof of concept by enriching measurements in the context of the IEEE 39-bus system with reasonable trust values. The proof of concept shows the benefits but also the limitations of the approach.


2016 ◽  
Vol 60 (5) ◽  
pp. 451-458 ◽  
Author(s):  
Lorraine Brennan

Metabolomics is the study of small molecules present in biological samples. In recent years it has become evident that such small molecules, called metabolites, play a key role in the development of disease states. Furthermore, metabolomic applications can reveal information about alterations in certain metabolic pathways under different conditions. Data acquisition in metabolomics is usually performed using nuclear magnetic resonance (NMR)-based approaches or mass spectrometry (MS)-based approaches with a more recent trend including the application of multiple platforms in order to maximise the coverage in terms of metabolites measured. The application of metabolomics is rapidly increasing and the present review will highlight applications in nutrition research.


2017 ◽  
Vol 14 (1) ◽  
pp. 53
Author(s):  
Martha Adelina Sihombing ◽  
Ade Agung Harnawan ◽  
Tetti Novalina Manik

Solar cell power monitoring software module in measurement of current and voltage has been made using data acquisition system device. This module is programmed by Delphi and designed according to the necessities for solar cell monitoring. Necessities for monitoring include many data that will be monitored, i.e: current, voltage, power, time and chart. This module will be integrated with hardware so that the data measured by the hardware can be acquired and displayed by the software module. All monitored data are also displayed through Microsoft Excel which then can be saved. Data acquired from the test are i.e: 0,05 A for current1, 0,2 A for current2, 0,027 V for voltage1, 0,15 V for voltage2, 0,001 W for power1, and 0,004 for power2.


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