Methods of evolutionary synthesis including embodied chemical syntheses

Patent metadata

Field	Value
Publication number	US-9757706-B2
Application number	US-201314402943-A
Country	US
Kind code	B2
Filing date	May 24, 2013
Priority date	May 25, 2012
Publication date	Sep 12, 2017
Grant date	Sep 12, 2017

Abstract

The invention provides a method for preparing a compound or a product having one or more characteristics that meet or exceed a user specification, the process comprising the step of selecting a first combination of chemical inputs, optionally together with physical inputs, and supplying those inputs to a reaction space, thereby to generate a first product; analyzing one or more characteristics of the product generated; comparing the one or more characteristics against a user specification; using a genetic algorithm selecting a second combination of chemical inputs, optionally together with physical inputs, wherein the second combination differs from the first combination, and supplying those inputs to the reaction space, thereby to generate a second product; analyzing one or more characteristics of the second product generated; comparing the one or more characteristics generated against the user specification; repeating the selecting and analyzing steps for further individual combinations of chemical and/or physical inputs, to provide an array of products wherein the flow chemistry system operates continuously to provide the first, second and further products, thereby to identify one or more products meeting or exceeding the user specification.

First claim

The invention claimed is:

1. A process for generating a product having one or more characteristics that meet or exceed a user specification, the process comprising the steps of:
(i) providing:
(A) a user specification, which is one or more characteristics that is desirable for a product to have;
(B) a flow chemistry system, wherein the system comprises a series of chemical inputs in fluid communication with a reaction space, and the system optionally comprises one or more physical inputs, wherein the physical inputs are deliverable to one or more of the chemical inputs and/or are deliverable to the reaction space;
(C) an analytical system adapted for interaction with the flow chemistry system, wherein the analytical system is for the measurement of one or more characteristics of a product;
(D) a control system adapted for controlling the delivery of the chemical and physical inputs to the reaction space, and for comparing the one or more characteristics measured by the analytical system against the user specification, wherein the control system is provided with a genetic algorithm for selecting combinations of the chemical and physical inputs;

(ii) selecting a first combination of chemical inputs, optionally together with physical inputs, and supplying those inputs to the reaction space, thereby to generate a first product;
(iii) analysing one or more characteristics of the first product generated;
(iv) comparing the one or more characteristics against the user specification;
(v) permitting the genetic algorithm to select a second combination of chemical inputs, optionally together with physical inputs, wherein the second combination differs from the first combination, and supplying those inputs to the reaction space, thereby to generate a second product;
(vi) analysing one or more characteristics of the second product generated;
(vii) comparing the one or more characteristics generated against the user specification;
(viii) repeating steps (v) to (vii) for further individual combinations of chemical, optionally together with physical inputs, where each further combination is selected by the genetic algorithm, to provide an array of products,
wherein the flow chemistry system operates continuously to provide the first, second and further products,
thereby to identify one or more products meeting or exceeding the user specification.

2. The process of claim 1 , further comprising the step of (ix) producing further quantities of a product meeting or exceeding the user specification.

3. The process of claim 1 , wherein the genetic algorithm selects a first combination of chemical inputs.

4. The process of claim 1 , wherein chemical and physical inputs are available for selection in a combination.

5. The process of claim 1 , wherein the number of chemical inputs is five or more.

6. The process of claim 4 , wherein the physical inputs include reaction time, concentration of chemical input, and ratio of chemical inputs.

7. The process of claim 1 , wherein the characteristic for measurement is a physical property of the product.

8. The process of claim 7 , wherein the physical property is selected from the group consisting of:
optical property,
mass property,
electrochemical property, and
rheological property.

9. The process of claim 7 , wherein the physical property is an optical property.

10. The process of claim 1 , wherein the product is selected from the groups consisting of polyoxometallate, coordination cluster, nanoparticles, single molecule magnet, quantum dot, dye, an electronic material, a pharmaceutical composition, a personal healthcare product, and a biologically active agent, optionally further including a polymer or organic molecule.

11. The process of claim 10 , wherein the product is a polyoxometallate.

Assignees

• Univ Glasgow Court

Inventors

• Cronin Leroy

Classifications

• B01J2219/00049

  Controlling or regulating processes · CPC title

• B01J19/0046 Primary

  Sequential or parallel reactions, e.g. for the synthesis of polypeptides or polynucleotides; Apparatus and devices for combinatorial chemistry or for making molecular arrays (synthesis methods per se C40B50/00) · CPC title

• B01J2219/00283

  Reactor vessels with top opening · CPC title

• B01J2219/0059

  Sequential processes · CPC title

• B01J2219/00583

  Features relative to the processes being carried out · CPC title