A Brief Overview of FlowControl Software

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FlowControl software Liquid handler Reagent rack Polar Bear Plus Flow

Binary Pump ModuleFraction collectorSyringe pump FlowSyn

Uniqsis Flow Reactor System …. 4 Pumping Channels, 3 Reactors

3 Flow Reactors – Chip, Coil(1), Coil (2)

4 Pumping Channels - FlowSyn, BPM

Automated SampleLoop Filling

Uniqsis FlowControl software allows researchers to program Uniqsis flow chemistry equipment and automate sequences of experiments with a level of freedom and flexibility not previously possible.

� A custom flow reactor system can be built and configured using a range of Uniqsispump, reactor and liquid handling modules, including fraction collectors and sampling robots.

� Either chemically resistant PTFE or high pressure stainless steel pumping modules may be selected and these can be allocated to a specific flow channel without the inconvenience of having to undo and replumb the system.

� The output from individual experiments can be collected either using a fraction collector or a larger scale experiment can be run collecting the product in a single vessel.

� One particularly useful option is the ability to collect only a small sample of each experiment at steady-state in order to perform off-line analysis for reaction optimisation or profiling.

� The optional WiFi connection ensures that the PC running FlowControl can be located in a convenient location outside of the fume cupboard.

The Start Menu gives users 4 options:

� Display real time pressure and temperature whilst setting up & priming the system

� Reload and analyse previous reaction data (History)

� Build new experiment sequences by configuring and programming up to 4 independent pumping channels and 3 independent reactor modules

� Build new experiment sequences based upon previously stored experiment set-ups and conditions

Getting Started with FlowControl …

When building flow experiments FlowControl behaves as a ‘wizard’ that encourages users to enter the required information in a logical way, and before continuing prompts them when required parameters have not been specified.

� Selecting Start New Experiment the user is first prompted to give the experiment a unique name.

� This is typically a lab notebook number and is used to document and archive all the information associated with this experiment.

� A single experiment is programmed initially as a starting point, which can be expanded later to produce a series of experiments, each of which can be completely independent of the previous experiment in the sequence.

� Next, it is necessary to define the desired system configuration by moving to the Configuration control screen

Naming an Experiment …

The next task is to enter the hardware setup (Configuration) required for this particular experiment.

� FlowControl auto-detects which modules are connected.

� Just ‘click’ on the tick/cross boxes to select the pump channels and reactor required.

� One unique feature of FlowControl is that any pump channel, for example a PTFE Binary Pump Channel, can be assigned to any flow channel used in an experiment –A, B, C or D – without needing to replumb the system.

� In choosing a reactor, when the type and material of the reactor is selected, FlowControl automatically assigns safe temperature and pressure limits.

� Reactor options include the FlowSyn column/chip and coil reactor modules, a stadalone Cold Coil (chiller), or up to 2 Polar Bear Plus Flow reactor modules.

� FlowControl checks if there are any conflicts or missing parameters before allowing you to leave the Configuration screen and move to the Experiment Planningscreen.

Defining the Flowpath & Hardware Configuration …

Experiment Planning: Individual experiments are programmed one at a time - although there are some tools that allow duplicates and series of experiments with, for example a specific temperature increment, to be created more quickly.

� Experiments are planned in a chemically intuitive way that is similar to batch, starting with the molarity and number of equivalents of each reagent required and then defining the reactor temperatures and residence times required for each experiment.

� FlowControl automatically calculates the correct pump flow rates and reagent introduction delays, accordingly.

� Reagent inputs can be either from reagent stock bottles or from sample loops, the high pressure chemically resistant injection valves for which are positioned after the pump heads.

� The sample loops can be automatically filled by a liquid handling robot. Because this is physically separate from the fraction collector, loop filling – which is intrinsically slow – can be commenced for the next experiment before the current experiment has actually finished!

� A wide range of different reagent inputs can be utilised – thus permitting fully combinatorial experimentation utilising up to 4 channels.

Planning Experiments (1) – Molarities, Ratios, Temps & Times

Finally, it is necessary to set up fraction collection by entering the collection mode, size and number of fractions required.

� Both simple sequential fraction collection and an ‘optimise’ mode, whereby all the reaction output is collected in a single larger vial with a small sample being automatically placed into a LCMS vial at a pre-determined time point, are available.

� In addition, a complete system wash at the end of each experiment can be specified to ensure that there is no cross-contamination between experiments.

Planning Experiments (2) – Setting up Fraction Collection

Finally, the Start Experiment button is pressed. FlowControl first checks that all the required information has been entered and that adequate volumes of reagents required are confirmed as being available before saving the experiment(s) and starting the reaction temperature equilibration process.

� As the experiments are run automatically, reactor temperature and channel pressures are logged in real time. In addition, event markers indicating when valve switches occur; fraction collection information is also overlaid on the graphs.

� A status log records a history of key events. All of this data is automatically archived.

Logger (Status) Screen

� A summary of fraction collection progress may be viewed as a pop-up at any time –the black vial is currently being processed.

Fraction Collection Summary Pop-up

The History button may be pressed at any time – even whilst an experiment is running. It allows the user to either:

� Load and view pressure/temperature plots from a previously run experiment, or alternatively

� Data from the current experiment may be viewed and manipulated. The data may be refreshed periodically if desired.

History – Pressure Plot

History – Temperature Plot

This brief overview can only scratch the surface of what FlowControl is capable of doing.

It truly unifies the control of all the Uniqsis flow chemistry modules and allows experiments to be automated and run without the need for manual intervention for extended periods of time whilst offering an unprecedented degree of flexibility and control.

Please contact feel free to contact Uniqsis if you would like more detailed information.

info@uniqsis.com