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Items: 1 to 50 of 254

1.

BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules.

Lin TS, Coley CW, Mochigase H, Beech HK, Wang W, Wang Z, Woods E, Craig SL, Johnson JA, Kalow JA, Jensen KF, Olsen BD.

ACS Cent Sci. 2019 Sep 25;5(9):1523-1531. doi: 10.1021/acscentsci.9b00476. Epub 2019 Sep 12.

2.

Autonomous discovery in the chemical sciences part I: Progress.

Jensen KF, Coley CW, Eyke NS.

Angew Chem Int Ed Engl. 2019 Sep 25. doi: 10.1002/anie.201909987. [Epub ahead of print]

PMID:
31553511
3.

Autonomous discovery in the chemical sciences part II: Outlook.

Coley CW, Eyke NS, Jensen KF.

Angew Chem Int Ed Engl. 2019 Sep 25. doi: 10.1002/anie.201909989. [Epub ahead of print]

PMID:
31553509
4.

Reducing the Amyloidogenicity of Functional Amyloid Protein FapC Increases Its Ability To Inhibit α-Synuclein Fibrillation.

Christensen LFB, Jensen KF, Nielsen J, Vad BS, Christiansen G, Otzen DE.

ACS Omega. 2019 Feb 22;4(2):4029-4039. doi: 10.1021/acsomega.8b03590. eCollection 2019 Feb 28.

5.

High-Speed Vapor Transport Deposition of Perovskite Thin Films.

Hoerantner MT, Wassweiler EL, Zhang H, Panda A, Nasilowski M, Osherov A, Swartwout R, Driscoll AE, Moody NS, Bawendi MG, Jensen KF, Bulović V.

ACS Appl Mater Interfaces. 2019 Sep 11;11(36):32928-32936. doi: 10.1021/acsami.9b07651. Epub 2019 Aug 30.

6.

A robotic platform for flow synthesis of organic compounds informed by AI planning.

Coley CW, Thomas DA 3rd, Lummiss JAM, Jaworski JN, Breen CP, Schultz V, Hart T, Fishman JS, Rogers L, Gao H, Hicklin RW, Plehiers PP, Byington J, Piotti JS, Green WH, Hart AJ, Jamison TF, Jensen KF.

Science. 2019 Aug 9;365(6453). pii: eaax1566. doi: 10.1126/science.aax1566.

PMID:
31395756
7.

RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application.

Coley CW, Green WH, Jensen KF.

J Chem Inf Model. 2019 Jun 24;59(6):2529-2537. doi: 10.1021/acs.jcim.9b00286. Epub 2019 Jun 13.

PMID:
31190540
8.

Flow Toolkit for Measuring Gas Diffusivity in Liquids.

Zhang J, Teixeira AR, Zhang H, Jensen KF.

Anal Chem. 2019 Mar 19;91(6):4004-4009. doi: 10.1021/acs.analchem.8b05396. Epub 2019 Mar 4.

PMID:
30781945
9.

A graph-convolutional neural network model for the prediction of chemical reactivity.

Coley CW, Jin W, Rogers L, Jamison TF, Jaakkola TS, Green WH, Barzilay R, Jensen KF.

Chem Sci. 2018 Nov 26;10(2):370-377. doi: 10.1039/c8sc04228d. eCollection 2019 Jan 14.

10.

Analysis and simulation of multiphase hydrodynamics in capillary microseparators.

Yang L, Ładosz A, Jensen KF.

Lab Chip. 2019 Feb 12;19(4):706-715. doi: 10.1039/c8lc01296b.

PMID:
30676606
11.

Revealing the Formation Mechanism of Alloyed Pd-Ru Nanoparticles: A Conversion Measurement Approach Utilizing a Microflow Reactor.

Asano S, Maki T, Sebastian V, Jensen KF, Mae K.

Langmuir. 2019 Feb 12;35(6):2236-2243. doi: 10.1021/acs.langmuir.8b03516. Epub 2019 Jan 28.

PMID:
30642186
12.

Using Machine Learning To Predict Suitable Conditions for Organic Reactions.

Gao H, Struble TJ, Coley CW, Wang Y, Green WH, Jensen KF.

ACS Cent Sci. 2018 Nov 28;4(11):1465-1476. doi: 10.1021/acscentsci.8b00357. Epub 2018 Nov 16.

13.

Reconfigurable system for automated optimization of diverse chemical reactions.

Bédard AC, Adamo A, Aroh KC, Russell MG, Bedermann AA, Torosian J, Yue B, Jensen KF, Jamison TF.

Science. 2018 Sep 21;361(6408):1220-1225. doi: 10.1126/science.aat0650.

PMID:
30237351
14.

Intracellular Delivery by Membrane Disruption: Mechanisms, Strategies, and Concepts.

Stewart MP, Langer R, Jensen KF.

Chem Rev. 2018 Aug 22;118(16):7409-7531. doi: 10.1021/acs.chemrev.7b00678. Epub 2018 Jul 27. Review.

15.

Multistage Microfluidic Platform for the Continuous Synthesis of III-V Core/Shell Quantum Dots.

Baek J, Shen Y, Lignos I, Bawendi MG, Jensen KF.

Angew Chem Int Ed Engl. 2018 Aug 20;57(34):10915-10918. doi: 10.1002/anie.201805264. Epub 2018 Jul 18.

PMID:
29944772
16.

Continuous N-Hydroxyphthalimide (NHPI)-Mediated Electrochemical Aerobic Oxidation of Benzylic C-H Bonds.

Mo Y, Jensen KF.

Chemistry. 2018 May 24. doi: 10.1002/chem.201802588. [Epub ahead of print]

PMID:
29797694
17.

Machine Learning in Computer-Aided Synthesis Planning.

Coley CW, Green WH, Jensen KF.

Acc Chem Res. 2018 May 15;51(5):1281-1289. doi: 10.1021/acs.accounts.8b00087. Epub 2018 May 1.

PMID:
29715002
18.

Ligand-Mediated Nanocrystal Growth.

Lazzari S, Theiler PM, Shen Y, Coley CW, Stemmer A, Jensen KF.

Langmuir. 2018 Mar 13;34(10):3307-3315. doi: 10.1021/acs.langmuir.8b00076. Epub 2018 Feb 28.

PMID:
29429346
19.

Advanced Continuous Flow Platform for On-Demand Pharmaceutical Manufacturing.

Zhang P, Weeranoppanant N, Thomas DA, Tahara K, Stelzer T, Russell MG, O'Mahony M, Myerson AS, Lin H, Kelly LP, Jensen KF, Jamison TF, Dai C, Cui Y, Briggs N, Beingessner RL, Adamo A.

Chemistry. 2018 Feb 21;24(11):2776-2784. doi: 10.1002/chem.201706004. Epub 2018 Jan 31.

PMID:
29385292
20.

SCScore: Synthetic Complexity Learned from a Reaction Corpus.

Coley CW, Rogers L, Green WH, Jensen KF.

J Chem Inf Model. 2018 Feb 26;58(2):252-261. doi: 10.1021/acs.jcim.7b00622. Epub 2018 Jan 26.

PMID:
29309147
21.

Computer-Assisted Retrosynthesis Based on Molecular Similarity.

Coley CW, Rogers L, Green WH, Jensen KF.

ACS Cent Sci. 2017 Dec 27;3(12):1237-1245. doi: 10.1021/acscentsci.7b00355. Epub 2017 Nov 16.

22.

Continuous purification of active pharmaceutical ingredients utilizing polymer membrane surface wettability.

Imbrogno J, Rogers L, Thomas DA, Jensen KF.

Chem Commun (Camb). 2017 Dec 19;54(1):70-73. doi: 10.1039/c7cc08218e.

PMID:
29210378
23.

Costs of subcutaneous and intravenous administration of trastuzumab for patients with HER2-positive breast cancer.

Olsen J, Jensen KF, Olesen DS, Knoop A.

J Comp Eff Res. 2018 May;7(5):411-419. doi: 10.2217/cer-2017-0048. Epub 2017 Dec 4.

PMID:
29199854
24.

Next-generation in vivo optical imaging with short-wave infrared quantum dots.

Bruns OT, Bischof TS, Harris DK, Franke D, Shi Y, Riedemann L, Bartelt A, Jaworski FB, Carr JA, Rowlands CJ, Wilson MWB, Chen O, Wei H, Hwang GW, Montana DM, Coropceanu I, Achorn OB, Kloepper J, Heeren J, So PTC, Fukumura D, Jensen KF, Jain RK, Bawendi MG.

Nat Biomed Eng. 2017;1. pii: 0056. doi: 10.1038/s41551-017-0056. Epub 2017 Apr 10.

25.

In-Situ Microfluidic Study of Biphasic Nanocrystal Ligand-Exchange Reactions Using an Oscillatory Flow Reactor.

Shen Y, Abolhasani M, Chen Y, Xie L, Yang L, Coley CW, Bawendi MG, Jensen KF.

Angew Chem Int Ed Engl. 2017 Dec 18;56(51):16333-16337. doi: 10.1002/anie.201710899. Epub 2017 Nov 21.

PMID:
29073335
26.

High-throughput Nuclear Delivery and Rapid Expression of DNA via Mechanical and Electrical Cell-Membrane Disruption.

Ding X, Stewart M, Sharei A, Weaver JC, Langer RS, Jensen KF.

Nat Biomed Eng. 2017;1. pii: 0039. doi: 10.1038/s41551-017-0039. Epub 2017 Mar 9.

27.

Automated in Situ Measurement of Gas Solubility in Liquids with a Simple Tube-in-Tube Reactor.

Zhang J, Teixeira AR, Zhang H, Jensen KF.

Anal Chem. 2017 Aug 15;89(16):8524-8530. doi: 10.1021/acs.analchem.7b02264. Epub 2017 Aug 3.

PMID:
28737892
28.

Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction.

Coley CW, Barzilay R, Green WH, Jaakkola TS, Jensen KF.

J Chem Inf Model. 2017 Aug 28;57(8):1757-1772. doi: 10.1021/acs.jcim.6b00601. Epub 2017 Jul 25.

PMID:
28696688
29.

Material-Efficient Microfluidic Platform for Exploratory Studies of Visible-Light Photoredox Catalysis.

Coley CW, Abolhasani M, Lin H, Jensen KF.

Angew Chem Int Ed Engl. 2017 Aug 7;56(33):9847-9850. doi: 10.1002/anie.201705148. Epub 2017 Jul 17.

PMID:
28651035
30.

A segmented flow platform for on-demand medicinal chemistry and compound synthesis in oscillating droplets.

Hwang YJ, Coley CW, Abolhasani M, Marzinzik AL, Koch G, Spanka C, Lehmann H, Jensen KF.

Chem Commun (Camb). 2017 Jun 16;53(49):6649-6652. doi: 10.1039/c7cc03584e.

PMID:
28585652
31.

Prediction of Organic Reaction Outcomes Using Machine Learning.

Coley CW, Barzilay R, Jaakkola TS, Green WH, Jensen KF.

ACS Cent Sci. 2017 May 24;3(5):434-443. doi: 10.1021/acscentsci.7b00064. Epub 2017 Apr 18.

32.

A Rapid Total Synthesis of Ciprofloxacin Hydrochloride in Continuous Flow.

Lin H, Dai C, Jamison TF, Jensen KF.

Angew Chem Int Ed Engl. 2017 Jul 17;56(30):8870-8873. doi: 10.1002/anie.201703812. Epub 2017 Jun 20.

PMID:
28561939
33.

Multistage extraction platform for highly efficient and fully continuous purification of nanoparticles.

Shen Y, Weeranoppanant N, Xie L, Chen Y, Lusardi MR, Imbrogno J, Bawendi MG, Jensen KF.

Nanoscale. 2017 Jun 14;9(23):7703-7707. doi: 10.1039/c7nr01826f.

PMID:
28561116
34.

Design and Scaling Up of Microchemical Systems: A Review.

Zhang J, Wang K, Teixeira AR, Jensen KF, Luo G.

Annu Rev Chem Biomol Eng. 2017 Jun 7;8:285-305. doi: 10.1146/annurev-chembioeng-060816-101443. Epub 2017 Apr 3. Review.

PMID:
28375772
35.

A fully automated flow-based approach for accelerated peptide synthesis.

Mijalis AJ, Thomas DA 3rd, Simon MD, Adamo A, Beaumont R, Jensen KF, Pentelute BL.

Nat Chem Biol. 2017 May;13(5):464-466. doi: 10.1038/nchembio.2318. Epub 2017 Feb 28.

PMID:
28244989
36.

Suzuki-Miyaura cross-coupling optimization enabled by automated feedback.

Reizman BJ, Wang YM, Buchwald SL, Jensen KF.

React Chem Eng. 2016 Dec 1;1(6):658-666. Epub 2016 Oct 18.

37.

In vitro and ex vivo strategies for intracellular delivery.

Stewart MP, Sharei A, Ding X, Sahay G, Langer R, Jensen KF.

Nature. 2016 Oct 13;538(7624):183-192. doi: 10.1038/nature19764. Review.

PMID:
27734871
38.

Characterization of Indium Phosphide Quantum Dot Growth Intermediates Using MALDI-TOF Mass Spectrometry.

Xie L, Shen Y, Franke D, Sebastián V, Bawendi MG, Jensen KF.

J Am Chem Soc. 2016 Oct 19;138(41):13469-13472. doi: 10.1021/jacs.6b06468. Epub 2016 Oct 6.

PMID:
27690411
39.

A Size-Selective Intracellular Delivery Platform.

Saung MT, Sharei A, Adalsteinsson VA, Cho N, Kamath T, Ruiz C, Kirkpatrick J, Patel N, Mino-Kenudson M, Thayer SP, Langer R, Jensen KF, Liss AS, Love JC.

Small. 2016 Nov;12(42):5873-5881. doi: 10.1002/smll.201601155. Epub 2016 Sep 4.

40.

Feedback in Flow for Accelerated Reaction Development.

Reizman BJ, Jensen KF.

Acc Chem Res. 2016 Sep 20;49(9):1786-96. doi: 10.1021/acs.accounts.6b00261. Epub 2016 Aug 15.

PMID:
27525813
41.

Nanoengineering a library of metallic nanostructures using a single microfluidic reactor.

Sebastián V, Jensen KF.

Nanoscale. 2016 Aug 18;8(33):15288-95. doi: 10.1039/c6nr04104c.

PMID:
27500728
42.

Molecular Engineering of Trifunctional Supported Catalysts for the Aerobic Oxidation of Alcohols.

Fernandes AE, Riant O, Jensen KF, Jonas AM.

Angew Chem Int Ed Engl. 2016 Sep 5;55(37):11044-8. doi: 10.1002/anie.201603673. Epub 2016 Jul 19.

PMID:
27430481
43.

Oscillatory multiphase flow strategy for chemistry and biology.

Abolhasani M, Jensen KF.

Lab Chip. 2016 Jul 19;16(15):2775-84. doi: 10.1039/c6lc00728g. Review.

PMID:
27397146
44.

Portable, Constriction-Expansion Blood Plasma Separation and Polymerization-Based Malaria Detection.

Shatova TA, Lathwal S, Engle MR, Sikes HD, Jensen KF.

Anal Chem. 2016 Aug 2;88(15):7627-32. doi: 10.1021/acs.analchem.6b01355. Epub 2016 Jul 13.

PMID:
27366819
45.

On-demand continuous-flow production of pharmaceuticals in a compact, reconfigurable system.

Adamo A, Beingessner RL, Behnam M, Chen J, Jamison TF, Jensen KF, Monbaliu JC, Myerson AS, Revalor EM, Snead DR, Stelzer T, Weeranoppanant N, Wong SY, Zhang P.

Science. 2016 Apr 1;352(6281):61-7. doi: 10.1126/science.aaf1337.

46.

Shape-controlled continuous synthesis of metal nanostructures.

Sebastian V, Smith CD, Jensen KF.

Nanoscale. 2016 Apr 14;8(14):7534-43. doi: 10.1039/c5nr08531d.

PMID:
26927867
47.

Live-cell protein labelling with nanometre precision by cell squeezing.

Kollmannsperger A, Sharei A, Raulf A, Heilemann M, Langer R, Jensen KF, Wieneke R, Tampé R.

Nat Commun. 2016 Jan 29;7:10372. doi: 10.1038/ncomms10372.

48.

Expanding the test set: Chemicals with potential to disrupt mammalian brain development.

Mundy WR, Padilla S, Breier JM, Crofton KM, Gilbert ME, Herr DW, Jensen KF, Radio NM, Raffaele KC, Schumacher K, Shafer TJ, Cowden J.

Neurotoxicol Teratol. 2015 Nov-Dec;52(Pt A):25-35. doi: 10.1016/j.ntt.2015.10.001. Epub 2015 Oct 22. Review.

PMID:
26476195
49.

The Unexpected Influence of Precursor Conversion Rate in the Synthesis of III-V Quantum Dots.

Franke D, Harris DK, Xie L, Jensen KF, Bawendi MG.

Angew Chem Int Ed Engl. 2015 Nov 23;54(48):14299-303. doi: 10.1002/anie.201505972. Epub 2015 Oct 6.

PMID:
26437711
50.

Multiphase Oscillatory Flow Strategy for in Situ Measurement and Screening of Partition Coefficients.

Abolhasani M, Coley CW, Jensen KF.

Anal Chem. 2015 Nov 3;87(21):11130-6. doi: 10.1021/acs.analchem.5b03311. Epub 2015 Oct 13.

PMID:
26436292

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