Reaction Monitoring

反应监视对于过程理解，优化和扩展至关重要，从而节省了成本，并确保最终产品的质量。它通常提供有关化学反应机制的重要见解，无论是传统的化学，生物生产还是（BIO）催化。动力学信息可以从时间课程数据中提取，并用于构建动力学模型，该模型将用于预测条件，实现有效的过程优化以及风险评估和控制。

A broad range of techniques can be used for process monitoring and perhaps in-situ vibrational spectroscopy is the most popular. A primary advantage of the use ofFT-IR spectroscopyis that it can be readily employed at a variety of physical scales from small development reactors (<50 cm3 vessel volume) up to full scale manufacturing plants (>1000 L vessel volume). The fact that the measurement instrumentation can be configured to operate in situ whereby a measurement probe is inserted directly into the reaction vessel and connected to a spectrometer via a fibre optic cable means that little (or no) perturbation is caused to operation of the process. Additionally, the spectra are often rich in detail and can reveal high quality information about chemical composition and physical form.

However, it is rarely the case that data fromFT-IRmeasurements would be employed in isolation. At the very least, companion data provided by techniques such as chromatographic assays, enthalpy measurements and structural elucidation studies will also be available from other activities carried out during synthetic route development and subsequent transfer. Most of these techniques require a calibration step to normalize the output to give data on concentration versus time. NMR is able to play an important role in the calibration of other techniques as it provides an inherently quantitative signal response based on the number of nuclei, and it is also the primary structural elucidation tool for molecular characterization (including intermediates) ensuring that usually plays a strong role in the development of APIs.

Combination ofFT-IRand NMR is a very powerful one, with the NMR also enhancing reaction understanding by gaining mechanistic insights. Online flow NMR mimics real reaction conditions, enabling time zero measurements and simultaneous acquisition with other spectroscopic. In combination with Mid-IR, it increases overall confidence when transferring process from the lab to the pilot or manufacturing plant.

Process monitoring allows drug development teams to streamline workflows and reduce time taken to bring new small molecule and biologics drugs to market.

Bruker has a wide portfolio of solutions and applications to monitor chemical and biological processes in order to increase the understanding of reaction mechanisms, the formation of radicals, the details of forced degradation, and the expression of cell metabolites.