Bartosz A. Grzybowski

Ulsan National Institute of Science and Technology

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i-10 index

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Kyle J. M. Bishop

Columbia University

Bartłomiej Kowalczyk

Uniwersytecki Szpital Dziecięcy

Sara Szymkuć

Highland Community College - Illinois

Rafał Klajn

Weizmann Institute of Science

Christopher J. Campbell

Lawrence Livermore National Laboratory

Kristiana Kandere‐Grzybowska

Ulsan National Institute of Science and Technology

Karol Molga

Highland Community College - Illinois

Rafał Roszak

Institute of Organic Chemistry

Stoyan K. Smoukov

Queen Mary University of London

Siowling Soh

National University of Singapore

Cooperative Institutions

Northwestern University

153

Polish Academy of Sciences

Institute for Basic Science

Ulsan National Institute of Science and Technology

Harvard University

Institute of Organic Chemistry

Government of the Republic of Korea

University of Warsaw

Centre National de la Recherche Scientifique

Chinese Academy of Sciences

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Mesoscale Self-Assembly of Hexagonal Plates Using Lateral Capillary Forces: Synthesis Using the “Capillary Bond”

Journal of the American Chemical Society (1999)

Ned B. Bowden Insung S. Choi Bartosz A. Grzybowski George M. Whitesides

This paper examines self-assembly in a quasi-two-dimensional, mesoscale system. The system studied here involves hexagonal plates ("hexagons") of poly(dimethylsiloxane) (PDMS; 5.4 mm in diameter, 0.9−2.0 mm thick), with faces functionalized to be hydrophilic or hydrophobic, floating at the interface between perfluorodecalin (PFD) and H2O. The hexagons assemble by capillary forces originating in the interactions of the menisci at their hydrophobic and hydrophilic rectangular faces. The strength and directionality of the interactions can be tailored by manipulating the heights of the faces, the pattern of the hydrophobic faces, the pattern of hydrophobic regions on these faces, and the densities of the three interacting phases (organic liquid, aqueous liquid, polymeric solid). Examination of all 14 possible combinations of hydrophobic and hydrophilic faces on the hexagonal plates led to three outcomes: (i) the extension of the strategies of self-assembly from the molecular to the mesoscale, (ii) the demonstration of a system in which small objects can be designed to self-assemble into a variety of arrays, and (iii) the hypothesis that capillary forces between objects can, in some circumstances, be considered to form the basis for a "bond" between themthe capillary bondand be used in synthesis in a way analogous to that in which noncovalent bonds are employed in molecular-scale synthesis.

10.1021/ja983882z

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Citations (219)

pH Oscillator Stretched in Space but Frozen in Time

The Journal of Physical Chemistry Letters (2015)

Thomas M. Hermans Peter S. Stewart Bartosz A. Grzybowski

Chemical oscillations are studied using a continuous-flow microfluidic system transforming the time domain of chemical oscillators into a spatial domain. This system allows one (i) to monitor the dynamics of chemical oscillators with the accuracy of vigorously stirred batch reactors but with the ease and speed of CSTRs and (ii) to rapidly screen the phase space of chemical oscillators in just one experiment versus a traditional series of batch measurements.

Chemical Dynamics

10.1021/jz502711c

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Citations (7)

Self-assembling fluidic machines

Applied Physics Letters (2004)

Bartosz A. Grzybowski Michal Radkowski Christopher J. Campbell Jessamine Ng Lee George M. Whitesides

This letter describes dynamic self-assembly of two-component rotors floating at the interface between liquid and air into simple, reconfigurable mechanical systems (“machines”). The rotors are powered by an external, rotating magnetic field, and their positions within the interface are controlled by: (i) repulsive hydrodynamic interactions between them and (ii) by localized magnetic fields produced by an array of small electromagnets located below the plane of the interface. The mechanical functions of the machines depend on the spatiotemporal sequence of activation of the electromagnets.

Electromagnet

Interface (matter)

Fluidics

Component (thermodynamics)

Rotating magnetic field

10.1063/1.1664019

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Citations (42)

Engineering Gram Selectivity of Mixed‐Charge Gold Nanoparticles by Tuning the Balance of Surface Charges

Angewandte Chemie (2016)

Pramod P. Pillai Bartłomiej Kowalczyk Kristiana Kandere‐Grzybowska Magdalena Borkowska Bartosz A. Grzybowski

Abstract Nanoparticles covered with ligand shells comprising both positively and negatively charged ligands exhibit Gram‐selective antibacterial action controlled by a single experimental parameter, namely the proportion of [+] and [−] ligands tethered onto these particles. Gram selectivity is attributed to the interplay between polyvalent electrostatic and non‐covalent interactions that work in unison to disrupt the bacterial cell wall. The [+/−] nanoparticles are effective in low doses, are non‐toxic to mammalian cells, and are tolerated well in mice. These results constitute the first example of rational engineering of Gram selectivity at the (macro)molecular level.

Rational design

Gram

Surface charge

10.1002/ange.201602965

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Citations (18)

Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses

Journal of the American Chemical Society (2025)

Karol Molga Wiktor Beker Rafał Roszak A. Czerwiński Bartosz A. Grzybowski

The prevalent assumption in computer-assisted synthesis planning has been to rely on the wealth of reaction data and on the consideration of this vast knowledge base at every stage of route planning. Yet even if equipped with all requisite knowledge of individual reaction transforms and state-of-the-art search algorithms, the existing programs struggle when confronted with advanced targets, such as the complex peptides this work considers. By contrast, when the searches are constrained by hierarchical logic, dictating which subsets of reactions to apply at different stages of synthesis planning, these algorithms are able to plan, within minutes, complete routes to clinically relevant targets as complex as vancomycin and as large as semaglutide. Despite not being trained on any literature precedents, the routes designed by the algorithm mimic the strategies used by human experts. The hierarchical planning we describe incorporates protecting-group strategies and realistic pathway pricing and can be performed in solid-state or solution modes, in the latter case using either C-to-N or N-to-C peptide extension strategies.

10.1021/jacs.4c17057

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Citations (0)

Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful Descriptors

Angewandte Chemie (2018)

Wiktor Beker Ewa Gajewska Tomasz Badowski Bartosz A. Grzybowski

Abstract Machine learning can predict the major regio‐, site‐, and diastereoselective outcomes of Diels–Alder reactions better than standard quantum‐mechanical methods and with accuracies exceeding 90 % provided that i) the diene/dienophile substrates are represented by “physical‐organic” descriptors reflecting the electronic and steric characteristics of their substituents and ii) the positions of such substituents relative to the reaction core are encoded (“vectorized”) in an informative way.

Diastereomer

Diene

Diels–Alder reaction

Quantum chemical

10.1002/ange.201806920

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Citations (36)

Replication Data for: Charge mosaics on contact-electrified dielectrics result from polarity-inverting discharges

Harvard Dataverse (2022)

Yaroslav I. Sobolev Witold Adamkiewicz Marta Siek Bartosz A. Grzybowski

Experimental data and numerical simulation results used in a research article (see "Related publication"). Respective code for data analysis, simulations, and controlling experimental setups is available from Github repository.

Polarity (international relations)

Replication

10.7910/dvn/zofdkm

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Citations (0)

Shaping Microcrystals of Metal–Organic Frameworks by Reaction–Diffusion

Angewandte Chemie (2020)

Jun Heuk Park Jan Paczesny Namhun Kim Bartosz A. Grzybowski

Abstract When components of a metal–organic framework (MOF) and a crystal growth modulator diffuse through a gel medium, they can form arrays of regularly‐spaced precipitation bands containing MOF crystals of different morphologies. With time, slow variations in the local concentrations of the growth modulator cause the crystals to change their shapes, ultimately resulting in unusual concave microcrystallites not available via solution‐based methods. The reaction–diffusion and periodic precipitation phenomena 1) extend to various types of MOFs and also MOPs (metal–organic polyhedra), and 2) can be multiplexed to realize within one gel multiple growth conditions, in effect leading to various crystalline phases or polycrystalline formations.

Crystal (programming language)

10.1002/ange.201910989

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Citations (4)

Nanoparticle Core/Shell Architectures within MOF Crystals Synthesized by Reaction Diffusion

Angewandte Chemie International Edition (2012)

Yanhu Wei Shuangbing Han David Walker Patrick E. Fuller Bartosz A. Grzybowski

Location, location, location: The combination of reaction and diffusion has been used to deposit nanoparticles (red and blue) inside of cyclodextrin MOFs (black), either uniformly or in a core/shell manner. Such processes can also be combined with galvanic exchange reactions to provide a flexible route to the location-specific post-processing of MOFs. When dissolved, the core/shell MOFs liberate nanoparticles of different types sequentially. Detailed facts of importance to specialist readers are published as "Supporting Information". Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.

Galvanic cell

Reaction–diffusion system

10.1002/anie.201202549

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Citations (147)

Dynamic hook-and-eye nanoparticle sponges

Nature Chemistry (2009)

Rafał Klajn Mark A. Olson Paul J. Wesson Lei Fang Ali Coskun

Sponge

10.1038/nchem.432

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Citations (116)