Small Volume Flow Probe for Automated Direct-Injection NMR Analysis: Design and Performance

Haner, Ronald L.; Llanos, William; Mueller, Luciano

doi:10.1006/jmre.1999.1983

Cited by 32 publications

(23 citation statements)

References 12 publications

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“…On-line NMR spectroscopy can meet these demands when flow probes are directly coupled to process equipment like reactors or separators from laboratory size up to industrial scale. Flow probes are offered commercially in a wide temperature (up to 400 K) and pressure range (up to 35 MPa) [10,12,13,14]. A further extension of the pressure and temperature range is technically possible.…”

Section: On-line Nmr Spectroscopymentioning

confidence: 99%

“…Most of the sample is directly recycled to the reactor, whereas typically only 5-10% pass through the NMR. The experiments described below were carried out using a flow probe with an active volume of 95 µL [12,13] for which the optimized flow is 0.5-1.2 mL min -1 . PEEK capillaries (0.25-0.75-mm ID) were used, which were thermostated by incorporating them into silicon tubing in which a thermostating liquid circulated.…”

Section: Solvent Suppression Quantitative Nmr Spectroscopymentioning

confidence: 99%

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Quantitative on-line high-resolution NMR spectroscopy in process engineering applications

et al. 2003

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In many technical processes, complex multicomponent mixtures have to be handled, for example, in reaction or separation equipment. High-resolution NMR spectroscopy is an excellent tool to study these mixtures and gain insight in their behavior in the processes. For on-line studies under process conditions, flow NMR probes can be used in a wide range of temperature and pressure. A major challenge in engineering applications of NMR spectroscopy is the need for quantitative evaluation. Flow rates, recovery times, and other parameters of the on-line NMR experiments have to be optimized for this purpose. Since it is generally prohibitive to use deuterated solvents in engineering applications, suitable techniques for field homogenization and solvent signal suppression are needed. Two examples for the application of on-line NMR spectroscopic experiments in process engineering are presented, studies on chemical equilibria and reaction kinetics of the technically important system formaldehyde-water-methanol and investigations on reactive gas absorption of CO(2) in aqueous solutions of monoethanolamine.

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Section: On-line Nmr Spectroscopymentioning

confidence: 99%

Section: Solvent Suppression Quantitative Nmr Spectroscopymentioning

confidence: 99%

Quantitative on-line high-resolution NMR spectroscopy in process engineering applications

et al. 2003

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“…An overlay of the two spectra readily identifies the residues that incur CSPs, which are then simply mapped onto the protein’s surface. Thus, a ligand-binding site is obtained extremely rapidly and the process is automatable with the addition of robotic sample-changers or flow-probes to an NMR spectrometer [111]. It was recently demonstrated that a high-quality protein-ligand complex model can be obtained rapidly by combining traditional in situ ligand docking software with experimental NMR CSPs [112].…”

Section: Rapid Protein-ligand Complex Structuresmentioning

confidence: 99%

Advances in nuclear magnetic resonance for drug discovery

Powers

2009

Expert Opinion on Drug Discovery

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Background Drug discovery is a complex and unpredictable endeavor with a high failure rate. Current trends in the pharmaceutical industry have exasperated these challenges and are contributing to the dramatic decline in productivity observed over the last decade. The industrialization of science by forcing the drug discovery process to adhere to assembly-line protocols is imposing unnecessary restrictions, such as short project time-lines. Recent advances in nuclear magnetic resonance are responding to these self-imposed limitations and are providing opportunities to increase the success rate of drug discovery. Objective/Method A review of recent advancements in NMR technology that have the potential of significantly impacting and benefiting the drug discovery process will be presented. These include fast NMR data collection protocols and high-throughput protein structure determination, rapid protein-ligand co-structure determination, lead discovery using fragment-based NMR affinity screens, NMR metabolomics to monitor in vivo efficacy and toxicity for lead compounds, and the identification of new therapeutic targets through the functional annotation of proteins by FAST-NMR. Conclusion NMR is a critical component of the drug discovery process, where the versatility of the technique enables it to continually expand and evolve its role. NMR is expected to maintain this growth over the next decade with advancements in automation, speed of structure calculation, in-cell imaging techniques, and the expansion of NMR amenable targets.

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“…Flow NMR spectroscopy allows one to investigate reaction processes almost in real time and under process conditions, in a wide range of temperatures and pressures [19][20][21][22]-commercial NMR probes presently for 0.1-35 MPa and 270-350 K (Bruker) and 0.1-3.0 MPa and 270-400 K (Varian), respectively. A further extension of this range is the focus of on-going research.…”

Section: Introductionmentioning

confidence: 99%

Quantitative high-resolution on-line NMR spectroscopy in reaction and process monitoring

Maiwald

Fischer

Kim

et al. 2004

Journal of Magnetic Resonance

142

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Small Volume Flow Probe for Automated Direct-Injection NMR Analysis: Design and Performance

Cited by 32 publications

References 12 publications

Quantitative on-line high-resolution NMR spectroscopy in process engineering applications

Quantitative on-line high-resolution NMR spectroscopy in process engineering applications

Advances in nuclear magnetic resonance for drug discovery

Quantitative high-resolution on-line NMR spectroscopy in reaction and process monitoring

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