IDBS Blog | 14th June 2016

Round and Round, I Calculate

Traditionally, when you needed to work out the quantities of reagents required for a synthetic reaction, your best ally used to be a piece of paper, your calculator and your integral knowledge of the formulae for calculating the required quantities. Many common reagents are often liquids e.g. Et3N with a density of 0.79 g/ml or pre-packaged solutions e.g. 1M BuLi in THF, thus requiring concurrent density and concentration calculations.

Using the new E‑WorkBook Chemistry product, we have translated the thought-process of the chemist into the software, and designed our performant stoichiometry calculation engine to handle all the calculations in one go, allowing you to calculate and record all the amounts in your reaction from the starting materials, reagents and the final calculation of the yield once you have purified your product.

In addition, the system also handles the “reverse” calculation e.g. “I’ve done this reaction before, and I know it gives me a 75% yield after purification. If I needed 5g of product, what quantities of reagents would I need?”. By providing the system with the equivalent scale of the reaction components, and the desired amount of product and the expected yield, it will work backwards to give you the required amounts of all the starting material, in a single click.

With the E‑WorkBook chemistry product, your old calculator will start to gather dust…

About IDBSContact us

More news

Webinar | January 26th | Managing the Journey from Process Development to Insight

Join our webinar, Managing the Journey from Process Development to Insight, where you will learn how to build the right foundation to ensure confidence in the accuracy and availability of your data, understand how to get actionable insights from your bioprocess data to maximize cell culture productivity, and discover how digital workflows with embedded integrations can curate a process data backbone that speeds time-to-insight with advanced data analytics and visualization tools.

Read more