A Novel Internet-Based Reaction Monitoring, Control and Autonomous Self-Optimization Platform for Chemical Synthesis

被引：153

作者：

Fitzpatrick, Daniel E. ^{[1
]}

Battilocchio, Claudio ^{[1
]}

Ley, Steven V. ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Innovat Technol Ctr, Lensfield Rd, Cambridge CB2 1EW, England

来源：

ORGANIC PROCESS RESEARCH & DEVELOPMENT | 2016年 / 20卷 / 02期

基金：

英国工程与自然科学研究理事会;

关键词：

ORGANIC-SYNTHESIS; PROCESS WINDOWS; FLOW; SYSTEM; INTELLIGENT;

D O I：

10.1021/acs.oprd.5b00313

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

We have developed a modular software system that enables researchers to monitor and control chemical reactions-via the Internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self optimize reaction parameters to find the best conditions meeting customizable, multicomponent optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three-dimensional heterogeneous catalytic reaction and a five-dimensional Appel reaction against various target functions.

引用

收藏

页码：386 / 394

页数：9

相关论文

共 38 条

[21] Development of a web-based platform for studying lithiation reactions in silico [J].

Kabeshov, Mikhail A. ;

Sliwinski, Eric ;

Fitzpatrick, Daniel E. ;

Musio, Biagia ;

Newby, James A. ;

Blaylock, Wayne D. W. ;

Ley, Steven V. .

CHEMICAL COMMUNICATIONS, 2015, 51 (33) :7172-7175

[22]

Kazmierczak Jr R. F., 704C61 DAE

[23] A breakthrough method for the accurate addition of reagents in multi-step segmented flow processing [J].

Lange, Heiko ;

Carter, Catherine F. ;

Hopkin, Mark D. ;

Burke, Adrian ;

Goode, Jon G. ;

Baxendale, Ian R. ;

Ley, Steven V. .

CHEMICAL SCIENCE, 2011, 2 (04) :765-769

[24] Machines vs Malaria: A Flow-Based Preparation of the Drug Candidate OZ439 [J].

Lau, Shing-Hing ;

Galvan, Alicia ;

Merchant, Rohan R. ;

Battilocchio, Claudio ;

Souto, Jose A. ;

Berry, Malcolm B. ;

Ley, Steven V. .

ORGANIC LETTERS, 2015, 17 (13) :3218-3221

[25] Machine-Assisted Organic Synthesis [J].

Ley, Steven V. ;

Fitzpatrick, Daniel E. ;

Myers, Rebecca M. ;

Battilocchio, Claudio ;

Ingham, Richard. J. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (35) :10122-10136

[26] Organic Synthesis: March of the Machines [J].

Ley, Steven V. ;

Fitzpatrick, Daniel E. ;

Ingham, Richard. J. ;

Myers, Rebecca M. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (11) :3449-3464

[27] Camera-enabled techniques for organic synthesis [J].

Ley, Steven V. ;

Ingham, Richard J. ;

O'Brien, Matthew ;

Browne, Duncan L. .

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, 2013, 9 :1051-1072

[28] End-to-End Continuous Manufacturing of Pharmaceuticals: Integrated Synthesis, Purification, and Final Dosage Formation [J].

Mascia, Salvatore ;

Heider, Patrick L. ;

Zhang, Haitao ;

Lakerveld, Richard ;

Benyahia, Brahim ;

Barton, Paul I. ;

Braatz, Richard D. ;

Cooney, Charles L. ;

Evans, James M. B. ;

Jamison, Timothy F. ;

Jensen, Klavs F. ;

Myerson, Allan S. ;

Trout, Bernhardt L. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 52 (47) :12359-12363

[29] An Integrated Microreactor System for Self-Optimization of a Heck Reaction: From Micro- to Mesoscale Flow Systems [J].

McMullen, Jonathan P. ;

Stone, Matthew T. ;

Buchwald, Stephen L. ;

Jensen, Klavs F. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (39) :7076-7080

[30] "Batch" Kinetics in Flow: Online IR Analysis and Continuous Control [J].

Moore, Jason S. ;

Jensen, Klavs F. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (02) :470-473

← 1 2 3 4 →