Automated identification

Gatlin, C.L., Eng, J.K., Cross, S.T., Detter, J.C., and Yates, J.R III, Automated Identification of amino acid sequence variations in proteins by HPLC/mi-crospray tandem mass spectrometry, Anal. Chem., 72, 757, 2000. 

In developing algorithms for automated identification of bacterial samples using MALDI MS, it is important to consider only those reproducible peaks... 

Because of this, a straightforward quantitative approach would not suffice, even if one could be developed. We need methods to deal with the existence of errors in the training classifications when training instruments to do automated identification. 

HALKET, J.M., PRZYBOROWSKA, A., STEIN, S.E., MALLARD, W.G., DOWN, S., CHALMERS, R.A., Deconvolution gas chromatography/mass spectrometry of urinary organic acids—potential for patem recognition and automated identification of metabolic disorders, Rapid Commun. Mass Spectrom., 1999,13,279-284. 

These results are encouraging, and suggest that our system in substantially its present form could serve as a useful tool for an analytical chemist, as well as eventually providing a framework for completely automated identification of organic compounds. 

Bohl M, Dunbar JB, Gifford EM, Heritage T, Wild DJ, Willett P, Wilton DJ. (2002) Scaffold Searching Automated Identification of Similar Ring Systems for the Design of Combinatorial Libraries. Quant. Struct.-Act. Rel. 21 590-597. 

So far, only the coupling and the cleavage reactions have been automated. Future developments might provide automated conversion of the liberated thiazolinone derivatives into phenylthiohydantoins and their automated identification. Alternatively, mass spectrometry which has as yet rarely been employed for identification may be applied directly to the thiazolinones dispensing altogether with the conversion step... 

Pseudomonas sample of 100 ml shall be filtrated and placed the membrane filter into 50 ml of TSB incubated for 20 to 28 hours at 35 2°C. Transfer into Pseudomonas agar F and P for 40 to 48 hours at 35 2°C. If any characteristic colony is detected, identify using API and/or automated identification system... 

Coliform using membrane hltration techniques, hltrate 100 ml. Place the membrane filter into Endo agar and identify using API and/or automated identification system. 

Isolates from WFI shall be identified to species level (if possible) using API tests/automated identification system. This pertains to the detection of any isolate obtained from a sample that breaches the alert or action level. 

Williamson, B. L., Marchese, J., and Morrice, N. A. (2006). Automated identification and quantification of protein phosphorylation sites by LC/MS on a hybrid triple quadrupole linear ion trap mass spectrometer. Mol. Cell. Proteomics 5 337-346. 

Tran PH, Peiffer DA, Shin Y, Meek LM, Brody JP, Cho KW. Microarray optimizations increasing spot accuracy and automated identification of true microarray signals. Nucleic Acids Res 2002 30 e54. 

Jones PGV, Haq SM (1963) The distribution of Phaeocystis in the Eastern Irish Sea. J Cons Int Explor Mer 28 8-20 Jonker R, Groben R, Tarran G, Medlin L, Wilkins M, Garcia L, Zabala L, Boddy L (2000) Automated identification and characterisation of microbial populations using flow cytometry the AIMS project. Sci Mar 64 225-234 Kamermans P (1994) Nutritional value of solitary cells and colonies of Phaeocystis sp. for the bivalve Macoma balthica (L). Ophelia 39 35-44... 

Chapter 3 Automated Identification and Conversion of Chemical Names to... 

The amount of data obtained by mass spectrometry is enormous, particularly when many lipid classes or several lipid species are investigated simultaneously. As such, manual management of the different data sets is impractical. For this reason, various attempts have been initiated to create software that is capable of evaluating and handling the generated data sets in a qualitative, quantitative, and comparative manner. One example is the software called Lipid Profiler, which has been used to achieve automated identification, deconvolution, and absolute quantification... 

Ejsing CS, Duchoslav E, Sampaio J, Simons K, Bonner R, Thiele C, Ekroos K, Shevchenko A. Automated identification and quan-hficahon of glycerophospholipid molecular species by multiple precursor ion scanning. Anal. Chem. 2006 78 6202-6214. 

J.-L. Wolfender, S. Rodriguez, K. Hostettmann, LC coupled to MS and NMR spectroscopy for the screening ofplant constituents, J. Chromatogr. A, 794 (1998) 299. D.M. Drexler, P.R. Tiller, S.M. Wilbert, F.W. Bramble, J.C. Schwartz, Automated identification of isotopically labeled pesticides and metabolites by intelligent real time LC-MS-MS using a bench-top ion trap MS, Rapid Commun. Mass Spectrom., 12 (1998) 1501. 

Many automated identification and sensitivity testing machines now utilize a liquid (broth) variant of the agar breakpoint procedure. Similar breakpoint antimicrobial concentrations are used with the presence or absence of growth being recorded by some automated procedure (e.g. light-scattering, colour change) after a suitable incubation period. 

Instrument advances in recent years have led to an everincreasing quantity of data that require examination. The automated identification of metabolites and their structures will be crucial to the success of biotransformation studies in drug discovery. Several software packages have been developed that accelerate various stages of this process. One such program is Metabolite ID 1.4 for Analyst from Applied Biosystems/MDS Sciex. Other instrument vendors offer similar software packages to help in metabolite structure elucidation. Metabolite ID 1.4 for Analyst will acquire full-scan chromatographic data of... 

The identification of the different compounds is based on relative retention time, and the quantification is performed from multilevel response factors. The response factor is determined by spiking water samples with vaiying amounts of the standard compounds. Automated identification and quantification of the target compounds are performed using a software system developed at our institute. 

Bohl, M., Dumbar, J., Gifford, E.M., Fleritage, T.W, Wild, D.J., Willett, P. and Wilton, D.J. (2002) Scaffold searching automated identification of similar ring systems for the design of combinatorial libraries. Quant. Struct. -Act. Relat., 21, 590-597. 

By automated identification of antagonistic indicators with the WHASSE software, immanent conflicts in the evaluation matrix can be discovered in a convenient way, and thus the advantages and disadvantages of each option under discussion can be named. The precise knowledge about antagonisms supports the stakeholders decision process as further discussions can focus on these immanent evaluation conflicts. The methodologically strategy how to solve these conflicts is one of the most crucial steps of the evaluation process (Strassert 1995). 

The integrated microanalytical platform for automated identification of proteins described earlier was found lacking sensitivity when samples containing <500 nM were to be digested. There were also concerns about the possibility of cross-contamination arising from the flow-through... 

Automated identification and separation technology is necessary to reduce the cost of recycling and enable greater volumes of waste to be processed. 

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