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Mass spectrometry and combinatorial chemistry: A short outline
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Triolo A., Altamura M., Cardinali F., Sisto A., Maggi C.A. Mass spectrometry and combinatorial chemistry: a short outline. J Mass Spectrom. 36:2001;1249-1259
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Triolo, A.1
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Researchers work around combichem's weaknesses
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Koppal T. Researchers work around combichem's weaknesses. Drug Discov Devel. 6:2003;59-60
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Combinatorial chemistry and mass spectrometry in the 21st century drug discovery laboratory
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Kassel D.B. Combinatorial chemistry and mass spectrometry in the 21st century drug discovery laboratory. Chem Rev. 101:2001;255-267
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Kassel, D.B.1
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0035387464
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Mass spectrometry screening of combinatorial mixtures, correlation of measured and predicted electrospray ionization spectra
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Yates N., Wislocki D., Roberts A., Berk S., Klatt T., Shen D-M., Willoughby C., Rosauer K., Chapman K., Griffin P. Mass spectrometry screening of combinatorial mixtures, correlation of measured and predicted electrospray ionization spectra. Anal Chem. 73:2001;2941-2951
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Yates, N.1
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Analysis and screening of combinatorial libraries using mass spectrometry
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Shin Y.G., Breemen R.B. Analysis and screening of combinatorial libraries using mass spectrometry. Biopharm Drug Dispos. 22:2001;353-372
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Shin, Y.G.1
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Current application of mass spectrometry to combinatorial chemistry
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Cheng X., Hochlowski J. Current application of mass spectrometry to combinatorial chemistry. Anal Chem. 74:2002;2679-2690
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Cheng, X.1
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Progress in liquid chromatography-mass spectrometry instrumentation and its impact on high-throughput screening
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Neissen W.M.A. Progress in liquid chromatography-mass spectrometry instrumentation and its impact on high-throughput screening. J Chromatogr A. 1000:2003;413-436
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Neissen, W.M.A.1
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0035863678
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Techniques for increasing the throughput of flow injection mass spectrometry
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Morand K.L., Burt T.M., Regg B.T., Chester T.L. Techniques for increasing the throughput of flow injection mass spectrometry. Anal Chem. 73:2001;247-252
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Morand, K.L.1
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Automated high-throughput infusion ESI-MS with direct coupling to a microtiter plate
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Felton C., Foret F., Minarik M., Goetzinger W., Karger B.L. Automated high-throughput infusion ESI-MS with direct coupling to a microtiter plate. Anal Chem. 73:2001;1449-1454
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Felton, C.1
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0035356544
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High-throughput microfabricated CE/ESI-MS: Automated sampling from a microwell plate
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Zhang B., Foret F., Karger B.L. High-throughput microfabricated CE/ESI-MS: automated sampling from a microwell plate. Anal Chem. 73:2001;2675-2681
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Zhang, B.1
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0036318786
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High-throughput liquid chromatography ultraviolet/mass spectrometric analysis of combinatorial libraries using an eight-channel multiplexed electrospray time-of-flight mass spectrometer
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Fang L., Cournoyer J., Demee M., Zhao J., Tokushige D., Yan B. High-throughput liquid chromatography ultraviolet/mass spectrometric analysis of combinatorial libraries using an eight-channel multiplexed electrospray time-of-flight mass spectrometer. Rapid Commun Mass Spectrom. 16:2002;1440-1447
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Fang, L.1
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0037774451
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Parallel high-throughput accurate mass measurement using a nine-channel multiplexed electrospray liquid chromatography ultraviolet time-of-flight mass spectrometry system
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Fang L., Demee M., Cournoyer J., Sierra T., Young C., Yan B. Parallel high-throughput accurate mass measurement using a nine-channel multiplexed electrospray liquid chromatography ultraviolet time-of-flight mass spectrometry system. Rapid Commun Mass Spectrom. 17:2003;1425-1432
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Fang, L.1
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Young, C.5
Yan, B.6
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13
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0141795499
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Quality control in combinatorial chemistry: Determination of the quantity, purity, and quantitative purity of compounds in combinatorial libraries
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The authors critically evaluated and compared various analytical methods for measuring the identity, purity and quantity of combinatorial libraries, including MS, NMR, UV, ELSD and CLND. They examined different libraries in an attempt to identify the presence of 'invisible' impurities and determine their origins, and concluded that purification is the only way to ensure high-quality screening compounds.
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Yan B., Fang L., Irving M., Zhang S., Boldi A.M., Woolard F., Johnson C.R., Kshirsagar T., Figliozzi G.M., Krueger C.A., et al. Quality control in combinatorial chemistry: determination of the quantity, purity, and quantitative purity of compounds in combinatorial libraries. J Comb Chem. 5:2003;547-559 The authors critically evaluated and compared various analytical methods for measuring the identity, purity and quantity of combinatorial libraries, including MS, NMR, UV, ELSD and CLND. They examined different libraries in an attempt to identify the presence of 'invisible' impurities and determine their origins, and concluded that purification is the only way to ensure high-quality screening compounds.
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J Comb Chem
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Yan, B.1
Fang, L.2
Irving, M.3
Zhang, S.4
Boldi, A.M.5
Woolard, F.6
Johnson, C.R.7
Kshirsagar, T.8
Figliozzi, G.M.9
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15
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0037102427
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High-throughput method for the production and analysis of large natural product libraries for drug discovery
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Eldridge G.R., Vervoort H.C., Lee C.M., Cremin P.A., Williams C.T., Hart S.M., Goering M.G., O'Neil-Johnson M., Zeng L. High-throughput method for the production and analysis of large natural product libraries for drug discovery. Anal Chem. 74:2002;3963-3971
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Eldridge, G.R.1
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Lee, C.M.3
Cremin, P.A.4
Williams, C.T.5
Hart, S.M.6
Goering, M.G.7
O'Neil-Johnson, M.8
Zeng, L.9
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16
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0036713604
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High-resolution capillary tube NMR. A miniaturized 5-mL high-sensitivity TXI probe for mass-limited samples, off-line LC NMR, and HT NMR
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Schlotterbeck G., Ross A., Hochstrasser R., Senn H., Kuhn T., Marek D., Schett O. High-resolution capillary tube NMR. A miniaturized 5-mL high-sensitivity TXI probe for mass-limited samples, off-line LC NMR, and HT NMR. Anal Chem. 74:2002;4464-4471
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Schlotterbeck, G.1
Ross, A.2
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Flow NMR applications in combinatorial chemistry
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Kiefer P.A. Flow NMR applications in combinatorial chemistry. Curr Opin Chem Biol. 7:2003;388-394
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Kiefer, P.A.1
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18
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0141924426
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High-throughput nuclear magnetic resonance analysis using a multiple coil flow probe
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A four-coil multiplex flow NMR probe optimized for small volume, mass-limited samples and integrated to a liquid handling system for high-throughput analysis is described. The system allows simultaneous injection of four different samples and rapid successive NMR analysis.
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Macnaughtan M.A., Hou T., Xu J., Raftery D. High-throughput nuclear magnetic resonance analysis using a multiple coil flow probe. Anal Chem. 75:2003;5116-5123 A four-coil multiplex flow NMR probe optimized for small volume, mass-limited samples and integrated to a liquid handling system for high-throughput analysis is described. The system allows simultaneous injection of four different samples and rapid successive NMR analysis.
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Anal Chem
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MacNaughtan, M.A.1
Hou, T.2
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19
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0036831111
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Automated analysis of proton NMR spectra from combinatorial rapid parallel synthesis using self-organizing maps
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To address issues related to the complexity of NMR data interpretation and analysis, the authors investigated the use of self-organizing maps (SOMs) to cluster together NMR spectra possessing common fingerprint patterns, thereby quickly and efficiently indicating the presence of 'problem' samples not possessing intended spectral signatures.
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Kalelkar S., Dow E.R., Grimes J., Clapham M., Hu H. Automated analysis of proton NMR spectra from combinatorial rapid parallel synthesis using self-organizing maps. J Comb Chem. 4:2002;622-629 To address issues related to the complexity of NMR data interpretation and analysis, the authors investigated the use of self-organizing maps (SOMs) to cluster together NMR spectra possessing common fingerprint patterns, thereby quickly and efficiently indicating the presence of 'problem' samples not possessing intended spectral signatures.
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J Comb Chem
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Kalelkar, S.1
Dow, E.R.2
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Hu, H.5
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Rapid compound purity screening
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Patel P., Herrera C. Rapid compound purity screening. Am Lab. 36:2004;14
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Am Lab
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Patel, P.1
Herrera, C.2
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21
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0141452082
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High-performance thin-layer chromatography method for assessment of the quality of combinatorial libraries, and comparison with liquid chromatography-ultraviolet-mass spectrometry
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Salo P.K., Pertovaara A.M., Salo V.-M.A., Salomies H.E.M., Kostiainen R.K. High-performance thin-layer chromatography method for assessment of the quality of combinatorial libraries, and comparison with liquid chromatography-ultraviolet-mass spectrometry. J Comb Chem. 5:2003;223-232
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J Comb Chem
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Salo, P.K.1
Pertovaara, A.M.2
Salo, V.-M.A.3
Salomies, H.E.M.4
Kostiainen, R.K.5
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22
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0035461108
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Analysis of combinatorial chemistry samples by micellar electrokinetic chromatography
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Simms P.J., Jeffries C.T., Huang Y., Zhang L., Arrhenius T., Nadzan A.M. Analysis of combinatorial chemistry samples by micellar electrokinetic chromatography. J Comb Chem. 3:2001;427-433
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J Comb Chem
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Simms, P.J.1
Jeffries, C.T.2
Huang, Y.3
Zhang, L.4
Arrhenius, T.5
Nadzan, A.M.6
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23
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1842482894
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Validation and long-term assessment of an approach for the high throughput determination of lipophilicity (log Pow) values using multiplexed, absorbance-based capillary electrophoresis
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Wong K-s., Kenseth J., Strasburg R. Validation and long-term assessment of an approach for the high throughput determination of lipophilicity (log Pow) values using multiplexed, absorbance-based capillary electrophoresis. J Pharm Sci. 93:2004;916-931
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J Pharm Sci
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Wong, K.-S.1
Kenseth, J.2
Strasburg, R.3
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24
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0001202659
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Development of a system to evaluate compound identity, purity, and concentration in a single experiment and its application in quality assessment of combinatorial libraries and screening hits
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The authors developed a fully integrated analytical system to characterize combinatorial libraries comprised of HPLC linked to UV, ELSD, CLND and TOF-MS detectors. The use of the system for supporting synthesis optimization, surveying library quality, and prioritizing and identifying active leads from screening experiments was described.
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Yurek D.A., Branch D.L., Kuo M.-S. Development of a system to evaluate compound identity, purity, and concentration in a single experiment and its application in quality assessment of combinatorial libraries and screening hits. J Comb Chem. 4:2002;138-148 The authors developed a fully integrated analytical system to characterize combinatorial libraries comprised of HPLC linked to UV, ELSD, CLND and TOF-MS detectors. The use of the system for supporting synthesis optimization, surveying library quality, and prioritizing and identifying active leads from screening experiments was described.
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(2002)
J Comb Chem
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Yurek, D.A.1
Branch, D.L.2
Kuo, M.-S.3
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25
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0036208567
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Hyphenation of capillary high-performance liquid chromatography with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for nano-scale screening of single-bead combinatorial libraries
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Keil O., LeRiche T., Deppe H., Volmer D.A. Hyphenation of capillary high-performance liquid chromatography with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for nano-scale screening of single-bead combinatorial libraries. Rapid Commun Mass Spectrom. 16:2002;814-820
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Rapid Commun Mass Spectrom
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Keil, O.1
Leriche, T.2
Deppe, H.3
Volmer, D.A.4
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26
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0036831328
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Realities of high-throughput liquid chromatography/mass spectrometry purification of large combinatorial libraries: A report on overall sample throughput using parallel purification
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A validated high-throughput process for purification of combinatorial libraries is described and evaluated in terms of the total sample throughput achievable for the entire process from sample submission to purified compound registration. A dual-column LC/MS was employed for both purification and analytical verification, and estimates regarding increases in throughput using additional columns were performed.
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Isbell J., Xu R., Cai Z., Kassel D.B. Realities of high-throughput liquid chromatography/mass spectrometry purification of large combinatorial libraries: A report on overall sample throughput using parallel purification. J Comb Chem. 4:2002;600-611 A validated high-throughput process for purification of combinatorial libraries is described and evaluated in terms of the total sample throughput achievable for the entire process from sample submission to purified compound registration. A dual-column LC/MS was employed for both purification and analytical verification, and estimates regarding increases in throughput using additional columns were performed.
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(2002)
J Comb Chem
, vol.4
, pp. 600-611
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Isbell, J.1
Xu, R.2
Cai, Z.3
Kassel, D.B.4
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27
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0141795449
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Optimizing preparative LC/MS configurations and methods for parallel synthesis purification
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Blom K.F., Sparks R., Doughty J., Everlof J.G., Haque T., Combs A.P. Optimizing preparative LC/MS configurations and methods for parallel synthesis purification. J Comb Chem. 5:2003;670-683
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J Comb Chem
, vol.5
, pp. 670-683
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Blom, K.F.1
Sparks, R.2
Doughty, J.3
Everlof, J.G.4
Haque, T.5
Combs, A.P.6
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28
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0037920971
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High-throughput purification of combinatorial arrays
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Edwards C., Hunter D.J. High-throughput purification of combinatorial arrays. J Comb Chem. 5:2003;61-66
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(2003)
J Comb Chem
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, pp. 61-66
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Edwards, C.1
Hunter, D.J.2
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29
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0141786953
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Development of a custom high-throughput preparative liquid chromatography/mass spectrometer platform for the preparative purification and analytical analysis of compound libraries
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Leister W., Strauss K., Wisnoski D., Zhao Z., Lindsley C. Development of a custom high-throughput preparative liquid chromatography/mass spectrometer platform for the preparative purification and analytical analysis of compound libraries. J Comb Chem. 5:2003;322-329
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(2003)
J Comb Chem
, vol.5
, pp. 322-329
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Leister, W.1
Strauss, K.2
Wisnoski, D.3
Zhao, Z.4
Lindsley, C.5
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30
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11144355895
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High-throughput purification of combinatorial libraries I: A high-throughput purification system using an accelerated retention window approach
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The authors describe a high-throughput purification system capable of purifying combinatorial libraries on a 50-100 mg scale with a throughput of 250 samples/instrument/day. A 'prescreening' eight-channel LC/UV/MS analysis is performed to predict the target compound's retention time, after which compound-specific gradients are applied to facilitate the collection of a single purified fraction at a universal retention time.
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Yan B., Collins N., Wheatley J., Irving M., Leopold K., Chan C., Shornikov A., Fang L., Lee A., Stock M., et al. High-throughput purification of combinatorial libraries I: A high-throughput purification system using an accelerated retention window approach. J Comb Chem. 6:2004;255-261 The authors describe a high-throughput purification system capable of purifying combinatorial libraries on a 50-100 mg scale with a throughput of 250 samples/instrument/day. A 'prescreening' eight-channel LC/UV/MS analysis is performed to predict the target compound's retention time, after which compound-specific gradients are applied to facilitate the collection of a single purified fraction at a universal retention time.
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(2004)
J Comb Chem
, vol.6
, pp. 255-261
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Yan, B.1
Collins, N.2
Wheatley, J.3
Irving, M.4
Leopold, K.5
Chan, C.6
Shornikov, A.7
Fang, L.8
Lee, A.9
Stock, M.10
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31
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0942278904
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Use of design of experiments to optimize high-throughput semipreparative LC and LC/MS methods
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Cole D.C., Pagano N., Kelly M.F., Ellingboe J. Use of design of experiments to optimize high-throughput semipreparative LC and LC/MS methods. J Comb Chem. 6:2004;78-82
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(2004)
J Comb Chem
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, pp. 78-82
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Cole, D.C.1
Pagano, N.2
Kelly, M.F.3
Ellingboe, J.4
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32
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1842611098
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Optimal fraction collecting in preparative LC/MS
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Rosentreter U., Huber U. Optimal fraction collecting in preparative LC/MS. J Comb Chem. 6:2004;159-164
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(2004)
J Comb Chem
, vol.6
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Rosentreter, U.1
Huber, U.2
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33
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1842454320
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Comparison of preparative HPLC/MS and preparative SFC techniques for the high-throughput purification of compound libraries
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Searle P.A., Glass K.A., Hochlowski J.E. Comparison of preparative HPLC/MS and preparative SFC techniques for the high-throughput purification of compound libraries. J Comb Chem. 6:2004;175-180
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(2004)
J Comb Chem
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Searle, P.A.1
Glass, K.A.2
Hochlowski, J.E.3
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35
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3042601981
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Combination of a customized robotic system with a TLC scanner for high-throughput reaction screening
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Dinter C., Weinmann H., Merten C., Schutz A., Blume T., Sander M., Harre M., Neh H. Combination of a customized robotic system with a TLC scanner for high-throughput reaction screening. Org Process Res Dev. 8:2004;482-487
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(2004)
Org Process Res Dev
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Dinter, C.1
Weinmann, H.2
Merten, C.3
Schutz, A.4
Blume, T.5
Sander, M.6
Harre, M.7
Neh, H.8
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