Welcome to DigitalGlassware™

 
 

DigitalGlassware™, the innovative cloud-based digital chemistry platform from deepmatter™, brings recordability, reproducibility and shareability to your lab at every stage of the discovery process. Over the coming weeks, this blog will show how DigitalGlassware™ works in real labs, under real reaction scenarios, and how it can save time and money and increase productivity. Whether working in a single site or at institutions across the world, DigitalGlassware™ is the fastest path to discovery.

DeviceX , the unique multi sensor probe able to measure in solution (immersed), the flask head space (exposed) and in ambient conditions.

DeviceX, the unique multi sensor probe able to measure in solution (immersed), the flask head space (exposed) and in ambient conditions.

DigitalGlassware™ allows users to capture and analyse a rich array of information about their chemical reaction. To facilitate this data capture in the lab, deepmatter™ has designed DeviceX, a unique multi-sensor probe developed that sits right inside the reaction vessel, providing real-time data (temperature, pressure, UV light levels and more). This data is collected and stored in the cloud alongside each process carried out during the reaction, providing a whole new level of insight and understanding.

For a quick look at the RunManager module of the DigitalGlassware™ online platform follow this link, or continue reading below to find out how the platform assists chemists in the lab.

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Meet Hannah, an academic R&D chemist in Glasgow. Hannah wants to perform a selective amination of an alcohol under mild conditions. After a literature search she came across the use of trichloromethyl ketones as unique reagents for this transformation. To produce the ketone, she identified a suitable alcohol oxidation reaction (Org. Synth. 2018, 95, 310-327).

First, she creates a recipe using the RecipeBuilder module. This records every reagent, piece of equipment and procedure, step by step, in a standard shareable format.

The scheme for the synthesis of 2,2,2-trichloro-1-phenylethan-1-one.

The scheme for the synthesis of 2,2,2-trichloro-1-phenylethan-1-one.

Hannah constructing a recipe in the  DigitalGlassware™   RecipeBuilder  module.

Hannah constructing a recipe in the DigitalGlassware™ RecipeBuilder module.

Next, Hannah sets up the reaction using the hardware that is the key to the unique insights from DigitalGlassware™. The EnvironmentalSensor records ambient conditions, while DeviceX sits inside the flask, continuously recording data such as temperature, UV light levels and even images and sound. Data from external hardware such as stirrer plates can also be recorded. Set-up is simple and the hardware is compact, taking up minimal space in the fume hood. 

DigitalGlassware™  in the lab.

DigitalGlassware™ in the lab.

As Hannah carries out the reaction, the RecipeRunner tablet app prompts her at every stage, and records the precise time each step is carried out. All the while, real-time data from the hardware is also being logged, showing how each process affects what is happening inside the flask.

After carrying out the reaction twice, and obtaining similar yields of 61% and 69%, Hannah compares the two reaction runs using the RunManager software. This provides a graphical view of the reaction data from start to finish, allowing any of the recorded data streams to be plotted side by side. In this case the temperature profile of the two reactions can be seen to be very similar.

The  DeviceX  immersed temperature sensor data for the two runs Hannah performed.

The DeviceX immersed temperature sensor data for the two runs Hannah performed.

Future reactions can be compared to these successful runs, giving insight into the reasons for failure – or, as we will see in future posts, giving an early warning if a reaction is not proceeding as it should.

You can view Hannah’s run data and look around the RunManager module of DigitalGlassware™ by following this link. Let us know what you think by clicking here and register here for further information. Make sure to check the blog for regular updates in which we will demonstrate more of the capabilities of DigitalGlassware™.

Note all captured reaction data is real as presented. User identities have been anonymised.