GPU Mass Spectometry Conference

Friday, March 16, 2018 – 16:00 UTC+1
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Abstract

High resolution mass spectrometry applications in industrial area is extensively grown in the recent years mainly thanks to the advent of both Time of Flight (TOF) and FT based (ORBITRAP) mass analyzer. This technology can monitor a huge amount of compounds with respect to low resolution and mass accurate one and can provide detailed qualitative information useful in the identification of unknown compounds. The high number of produced data lead to the need of data high efficient elaboration platform. Especially when complex matrices are analyzed the data extraction, inter-sample comparison and analyte quantitation become time consuming. Graphical processing unit (GPU) data elaboration approach makes possible to speed up these steps with respect to the classical elaboration system. Here we presents some practical application of this technology to the pharmaceutical field.

 

 

 

OMICS technology to solve industrial problems

When we speak of OMICS we refers to a a pool of preparative, analytical and bioinformatics approaches that make possible to analyze high complex molecular pathways and to compare them among different samples.

Summarizing OMICS approaches are able to:

1) simultaneously analyze hundred of compounds.

2) discover semi-qunantitative difference of the detected analyte profiles among different samples.

These proprieties together with specific bioinformatic and databases make possible to efficiently solve different industrial problems in the follow fields:

  • Pharmaceutcal.
  • Diagnostic test production check.
  • Food and nutraceutical quality analysis.
  • Cosmetics.

The benefits of OMICS approaches in solving industrial problems of difficult task and in the associated cost reduction became to be evident.

ISB has developed different services in this field. You can give a look to them here and under the service list of the home page. However, the application range is wide. Thus, we have decided to publish different post for each OMICS application.

Follow us to keep updated.

Forensic Toxicology: compounds identification and legal responsibility

The scientific community has accepted SANIST technology as an approach to identify compounds in forensic toxicology.  The abstract is available here. The work has been realized in collaboration with different national and international public reference governament institutes.

Basically the method is based on the creation of a certified  mass spectra databases and on an algorithm for database search match based on some EU rules.

The majority of laboratory do not follow these criterias. At this point a question come in mind. Are the data obtained outside of EU rules valid for the law? What is the risk to provide an identification result that the legal authority can potentially declare not valid? This is a critic theme expecially in the forensic and toxicology fields where the maximum of accuracy is required during the drug identification step. For instance if a driver is found cocaine positive in the screening phase it is required the mass spectrometry analysis to confirm the data. On the basis of this results the legal authority can decide how to proceed. Obviously, the mass spectrometry database search must follow all criterias to ensure to provide the right identification. Actually the only criteria that the law accept is that implemented in the SANIST technology.

Feel free to contact us for further informations.

Shotgun proteomics 


Proteomics is widely applied in the industrial field. It is used to:

  • Nutraceutical Product quality control;
  • Pharmaceutical product quality control (e.g.: monoclonal antibody for uman treatment check).
  • Cosmetic product quality control;
  • Check food quality.

The industrial applications require rapid and accurate proteomics technologies.

SANIST platform makes possible to achieve high accurate and rapid results thanks to the CIMS technology implemented on it.

High throughput metabolomics


Metabolomics analysis require time mainly due to the long chromatographic runs. In fact it is essential to obtain an efficient metabolite separation before if the detection to avoid interference.

SANIST platform make possible to reduce the analytical time thanks to a proprietary technology (cloud ion mobility) that selectively select the metabolite during the analysis and separate them from other species that lead to analytical interference.

It is so possible to obtain high accurate and focalized metabolomics data

Compounds identification European Union rules


About one year ago we publish an application of SANIST to identify compounds on the basis of European Regulatory. Nowadays there are many databases to identify the analyses but none of them is build on the European rule.

We have build, toghether with our industrial partner Anthilla a SANIST application to legally check the compounds identity. This fact is essential for the forensic, toxicological, pharmaceutical and food analysis fields.

A demonstration version of the algorithm can be found here. Write us through the contact form to obtain a demo access account of 30 days.

Electronic cigarettes analysis based on EU regulatory


Law require to check the presence of toxic compounds produced during the vaporization. For instance Acrolein is produced at high temperature.  At this point an important question is: what analytical technique can we use for this purposes?

Many techniques collect the vapor on solid cardriges and analyze their composition. On one hand this method is applicable thanks to the presence of solid cardriges that retain various compounds. On the other, it is possible that compounds modification takes place on the solid phase in time. Thus, the molecular profile can be different from that originated by the electronic cigarette during the vaporization.

ISB has developed a SANIST application to directly analyze the vapour composition during their emission from the electronic cigarettes. The vapour are directed to the mass spectrometer in conditions that simulate the human breath and directly analyzed. EU database search rules are followed to identify the volatile compounds.

We just operate in collaboration with BlendFEEL producer that use the SANIST technology to test its liquid for electronic cigarettes. 

For more informations fill the contact us form.

Food geographic and quality traceability


Food geographic traceability tell us much on the eating quality. In fact, the molecular composition and consequently the organolectic proprieties, changes depending from the geographic zone.

The EU define some targeted analysis for food traceability purposes. However, many informations on food quality are loss.

OMICS can help in better define food treacebility and quality. In particular volatile compounds fraction seems to be highly promising. An interesting, under development, SANIST application is related to the olive oils traceability by monitoring the volatile organic compounds OMICS fraction.

Different other applications for food traceability and quality determination will be developed.

Food shotgun proteomics


Food quality is very important. Eating well means to prevent different diseases like cancer, diabete and obesity.

Different analysis are required from the regulatory authority to check the food quality. However these test are limited to very specific target compounds that often are not fully representative of food quality.  

Shotgun Proteomics joined to dedicated databases predict food alteration and its quality on the basis of the presence of allergens, enzyme and structural proteins.

Intestinal dysbiosis serum markers


Intestinal dysbiosis is joined to differenti disease (e.g.: obesity, diabete, sclerosis). However, it is quite difficult to evaluate it mainly due to the intestinal microbial complexity.

Some serum and plasma test seems to be promising for evaluating dysbiosis. Basically, the human metabolism can be correlated to the intestinal bacteria disequilibrium.

An application based on SANIST open platform is under development to predict dysbiosis on the basis of metabolics and proteomics serum analysis. We will keep you updated on this new app.