Grzybowski Group Publications : 2020s   

2024

 

305

Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks
 

Rafal Roszak, Agnieszka Wolos, Marcin Benke, Lukasz Glen, Jakub Konka, Phillip Jensen, Pawel Burgchardt, Anna Zadlo-Dobrowolska, Piotr Janiuk, Sara Szymkuc, Bartosz A Grzybowski*

Chem 10, 1-9 (2024). 

   

304

Computational prediction of complex cationic rearrangement outcomes
 

Tomasz Klucznik, Leonidas-Dimitrios Syntrivanis*, Sebastian Bas, Barbara Mikulak-Klucznik, Martyna Moskal, Sara Szymkuc, Jacek Mlynarski, Louis Gadina, Wiktor Beker*, Martin D. Burke*, Konrad Tiefenbacher* & Bartosz A. Grzybowski*  

Nature 625, 508-515 (2024). https://doi.org/10.1038/s41586-023-06854-3 

   

303

Active learning guides discovery of a champion four-metal perovskite oxide for oxygen evolution electrocatalysis
 

Junseok Moon, Wiktor Beker, Marta Siek, Jiheon Kim, Hyeon Seok Lee, Taeghwan Hyeon* & Bartosz A. Grzybowski*

Nat. Mater. 23, 108-115 (2024);  https://doi.org/10.1038/s41563-023-01707-w

 

   

2023

 

302

Accelerated Chemical Science with AI
 

S. Back, A. Aspuru-Guzik, M. Ceriotti, G. Gryn'ova, B. A. Grzybowski, G. H. Gu, J. E. Hein, K. Hippalgaonkar, R.

Hormazabal, Y. Jung, S. Kim, W. Y. Kim, M. Moosavi, J. Noh, C. Park, J. Schrier, P. Schwaller, K. Tsuda, T.

Vegge, A. von Lilienfeld and A. Walsh. Digital Discovery 3, 23-33 (2024); DOI: 10.1039/D3DD00213F

   

301

Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
 

Felix Strieth-Kalthoff, Han Hao, Vandana Rathore, Joshua Derasp, Theophile Gaudin, Nicholas H Angello, Martin Seifrid, Ekaterina Trushina, Mason Guy, Junliang Liu, Xun Tang, Masashi Mamada, Wesley Wang, Tuul Tsagaantsooj, Cyrille Lavigne, Robert Pollice, Tony C Wu, Kazuhiro Hotta, Leticia Bodo, Shangyu Li, Mohammad Haddadnia, Agnieszka Wolos, Rafal Roszak, Cher-Tian Ser, Carlota Bozal-Ginesta, Riley J Hickman, Jenya Vestfrid, Andres Aguilar-Granda, Elena L Klimareva, Ralph C Sigerson, Wenduan Hou, Daniel Gahler, Slawomir Lach, Adrian Warzybok, Oleg Borodin, Simon Rohrbach, Benjamin Sanchez-Lengeling, Chihaya Adachi*, Bartosz A Grzybowski*, Leroy Cronin*, Jason E Hein*, Martin D Burke*, Alan Aspuru-Guzik* 

ChemRxiv, September 2023.

   

300

Solid-body trajectoids shaped to roll along desired pathways
 

Yaroslav I. Sobolev*, Ruoyu Dong, Tsvi Tlusty*, Jean-Pierre Eckmann*, Steve Granick* & Bartosz A. Grzybowski*. 

Nature 620, 310 -315 (2023). COVER

 

   

299

One-Pot, Three-Phase Recycling of Metals from Li-Ion Batteries in Rotating, Concentric-Liquid Reactors
 

Cristobal Quintana, Olgierd Cybulski, Barbara Mikulak-Klucznik, Tomasz Klucznik & Bartosz A. Grzybowski*

Adv. Mat. 352211946 (2023). COVER

 

   

298

On-nanoparticle monolayers as a solute-specific, solvent-like phase
 

Juan C. Ahumada, Guillermo A. Ahumada , Yaroslav Sobolev , Minju Kim, and Bartosz A. Grzybowski* 

 Nanoscale 15, 6379-6386 (2023). DOI: 10.1039/D2NR06341G

 

   

297

Network search algorithms and scoring functions for advanced-level computerized synthesis planning
 

Bartosz A. Grzybowski*, Tomasz Badowski, Karol Molga, and Sara Szymkuc. 

WIREs Comput. Mol. Sci. 13, e1630 (2023). REVIEW

First published: 16 June 2022 https://doi.org/10.1002/wcms.1630 


 

 

   

296

AlphaFold2 Can Predict Single-Mutation Effects
 

John M. McBride, Konstantin Polev, Amirbek Abdirasulov, Vladimir Reinharz, Bartosz A. Grzybowski, and Tsvi Tlusty. Phys. Rev. Lett. 131, 218401 (2023). https://doi.org/10.1103/PhysRevLett.131.218401

 

   

295

Protocol and Software for Automated Detection of Lysosome Active "Runs" and "Flights" with Wavelet Transform Approach
 

Kandere-Grzybowska, K.*, Polev, K., Kolygina, D.V., Grzybowski, B.A. (2023).  

In: Kalyuzhny, A.E. (eds) Signal Transduction Immunohistochemistry. Methods in Molecular Biology, vol 2593. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-2811-9_11 

 

   

2022

 

294

Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling
 

Nicholas H. Angello, Vandana Rathore, Wiktor Beker, Agnieszka Wolos, Edward R. Jira, Tony C. Wu, Charles M. Schroeder, Alan Aspuru-Guzik,

Bartosz A. Grzybowski*, and Martin D. Burke*

Science 378, 399-495 (2022).

   

293

Charge mosaics on contact-electrified dielectrics result from polarity-inverting discharges
 

Yaroslav I. Sobolev, Witold Adamkiewicz, Marta Siek & Bartosz A. Grzybowski*.

Nat. Phys. 18, 1347-1355 (2022). COVER ART


   

292

Proving Cooperativity of a Catalytic Reaction by Means of Nanoscale Geometry: The Case of Click Reaction
 

Cristobal Quintana, Juan C. Ahumada, Guillermo Ahumada, Yaroslav Sobolev, Minju Kim, Atabay Allamyradov, and Bartosz A. Grzybowski.

J. Am. Chem. Soc. 144, 11238 - 11245 (2022). 

 

   

291

Computer-designed repurposing of chemical wastes into drugs
 

Agnieszka Wolos, Dominik Koszelewski, Rafal Roszak, Sara Szymkuc, Martyna Moskal, Ryszard Ostaszewski, Brenden T. Herrera, Josef M. Maier, Gordon Brezicki, Jonathon Samuel, Justin A. M. Lummiss, D. Tyler McQuade, Luke Rogers & Bartosz A. Grzybowski*  

Nature 604, 668-676 (2022).


 

   

290

Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki-Miyaura Coupling
 

Wiktor Beker, Rafal Roszak, Agnieszka Wolos, Nicholas H. Angello, Vandana Rathore, Martin D. Burke*, and Bartosz A. Grzybowski*. J. Am. Chem. Soc. 144, 4819-4827 (2022). 

  

   

289

Materials, assemblies and reaction systems under rotation
 
Bartosz A. Grzybowski*, Yaroslav I. Sobolev, Olgierd Cybulski & Barbara Mikulak-Klucznik
Nat. Rev. Mater. (2022). https://doi.org/10.1038/s41578-021-00404-x  REVIEW, COVER ART

   

288

Large-Scale, Wavelet-Based Analysis of Lysosomal Trajectories and Co-Movements of Lysosomes with Nanoparticle Cargos
 

Polev, K., Kolygina, D.V., Kandere-Grzybowska, K*. & Grzybowski, B.A*. 

Cells 11, 270 (2022).


   

287

A computer algorithm to discover iterative sequences of organic reactions
 

Karol Molga, Sara Szymkuc, Patrycja Golebiowska, Oskar Popik, Piotr Dittwald, Martyna Moskal, Rafal Roszak, Jacek Mlynarski & Bartosz A. Grzybowski*   

Nat. Synth. 1, 49-58 (2022). COVER ART


   

2021

 

286

Is organic chemistry really growing exponentially?
 

Sara Szymkuc, Tomasz Badowski, Bartosz A. Grzybowski* 

Angew. Chem. Int. Ed. 133, 26430-26436 (2021).

   

285

An Electrocatalytic Reaction As a Basis for Chemical Computing in Water Droplets
 

Zhijie Yang, Qiang Zhuang, Yong Yan, Guillermo Ahumada, and Bartosz A. Grzybowski*

J. Am. Chem. Soc. 143, 16908-16912 (2021). 


 

   

284

Stimuli-responsive granular crystals assembled by dipolar and multipolar interactions
 

Konstantin Polev, Valentin Visyn, Witold Adamkiewicz, Yaroslav I. Sobolev & Bartosz A. Grzybowski*

Soft Matter 17, 8595-8604 (2021). COVER ART 

Graphical abstract: Stimuli-responsive granular crystals assembled by dipolar and multipolar interactions

   

283

Self-Assembling Films of Covalent Organic Frameworks Enable Long-Term, Efficient Cycling of Zinc-Ion Batteries
 

Jun Heuk Park, Myung-Jun Kwak, Chihyun Hwang, Kyeong-Nam Kang, Nian Liu, Ji-Hyun Jang*, Bartosz A. Grzybowski*

Advanced Materials 33, 2101726, (2021).

   

282

Mixed-Charge Nanocarriers Allow for Selective Targeting of Mitochondria by Otherwise Nonselective Dyes
 

D. V. Kolygina, M. Siek, M. Borkowska, G. Ahumada, P. Barski, D. Witt, A.-Y. Jee, H. Miao, J. C. Ahumada, S. Granick, K. Kandere-Grzybowska*, and B. A. Grzybowski*

ACS Nano 15,  11470-11490 (2021).

 

   

281

Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent Interactions
 

M. Moskal, W. Beker, S. Szymkuc, B. A. Grzybowski*

Angew. Chem. Int. Ed. 60, 1-7 (2021)


 

   

280

Transistors and logic circuits based on metal nanoparticles and ionic gradients
 

Xing Zhao, Liu Yang, Jiahui Guo, Tao Xiao, Yi Zhou, Yuchun Zhang, Bin Tu, Tiehu Li, Bartosz A. Grzybowski, Yong Yan

Nature Electronics 4, 109-115 (2021)

 

   

279

On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-Selective
 

M. Kim, M. Dygas, Y. I. Sobolev, W. Beker, Q. Zhuang, T. Klucznik, G. Ahumada, J.C. Ahumada & B. A. Grzybowski*

J. Am. Chem. Soc. 143, 1807-1815 (2021)

 

   

278

Chemist Ex Machina: Advanced Synthesis Planning by Computers
 

K. Molga, S. Szymkuc, B.A. Grzybowski* 

Acc. Chem. Res. 54, 1094-1106 (2021) COVER ART

 

   

277

Synthetic planning, reaction discovery and design of chemical systems using computers
 

B. A. Grzybowski* 

Proc. 25th Solvay Conf. Chem. (2021, in press) 

   

2020

 

276

Engines of discovery: Computers in advanced synthesis planning and identification of drug candidates.
 

Bartosz A. Grzybowski.  ACM. 1:42-49 (2020). DOI: 10.51167/acm00010 

   

275

Mixed-Charge, pH-Responsive Nanoparticles for Selective Interactions with Cells, Organelles, and Bacteria
 

Marta Siek, Kristiana Kandere-Grzybowska*, and Bartosz A. Grzybowski*

Acc. Mater. Res. 1, 188-200 (2020) 

   

274

Computational planning of the synthesis of complex natural products
 

Barbara Mikulak-Klucznik, Patrycja Golebiowska, Alison A. Bayly, Oskar Popik, Tomasz Klucznik, Sara Szymkuc, Ewa P. Gajewska, Piotr Dittwald, Olga Staszewska-Krajewska, Wiktor Beker, Tomasz Badowski, Karl A. Scheidt, Karol Molga*, Jacek Mlynarski*, Milan Mrksich* and Bartosz A. Grzybowski*

Nature 588, 83-88 (2020)

 

   

273

Concentric liquid reactors for chemical synthesis and separation
 

Olgierd Cybulski, Miroslaw Dygas, Barbara Mikulak-Klucznik, Marta Siek, Tomasz Klucznik, Seong Yeol Choi, Robert J. Mitchell, Yaroslav I. Sobolev and Bartosz A. Grzybowski*

Nature 586, 57-63 (2020) COVER ART


   

272

Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry
 

Agnieszka Wolos, Rafal Roszak, Anna Zadlo-Dobrowolska, Wiktor Beker, Barbara Mikulak-Klucznik, Grzegorz Spolnik, Miroslaw Dygas, Sara Szymkuc* and Bartosz A. Grzybowski*

Science 369, 1955 (2020) 

 

   

271

Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks
 

Wiktor Beker, Agnieszka Wolos, Sara Szymkuc and Bartosz A. Grzybowski*

Nature Machine Intelligence 2, 457-465 (2020)

 

   

270

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity ...
 

Martyna Moskal, Wiktor Beker, Rafal Roszak, Ewa P. Gajewska, Agnieszka Wolos, Karol Molga, Sara Szymkuc, Grzegorz Grynkiewicz and Bartosz A. Grzybowski*

ChemRxiv (2020) 

   

269

Targeted crystallization of mixed-charge nanoparticles in lysosomes induces selective death of cancer cells
 

Magdalena Borkowska, Marta Siek, Diana V. Kolygina, Yaroslav I. Sobolev, Slawomir Lach, Sumit Kumar, Yoon-Kyoung Cho, Kristiana Kandere-Grzybowska* & Bartosz A. Grzybowski*

Nature Nanotechnology 15, 331-341 (2020) COVER ART

 

   

268

Enhancing crystal growth using polyelectrolyte solutions and shear flow
 

Jian-Ke Sun, Yaroslav I. Sobolev, Weiyi Zhang, Qiang Zhuang and Bartosz A. Grzybowski*

Nature 579, 73-79 (2020)

 

   

267

Shaping Microcrystals of Metal-Organic Frameworks by Reaction-Diffusion
 

Jun Heuk Park, Jan Paczesny, Namhun Kim and Bartosz A. Grzybowski*

Angew. Chem. Int. Ed59, 10301 (2020)

 

   

266

Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
 

Ewa P.Gajewska, SaraSzymkuc, PiotrDittwald, Michal Startek, Oskar Popik, Jacek Mlynarski* and Bartosz A. Grzybowski*
Chem 6, 3-4 (2020)

 

   

265

Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning
 

Tomasz Badowski, Ewa P. Gajewska, Karol Molga and Bartosz A. Grzybowski*

Angew. Chem. Int. Ed59, 725 (2020)

 

   

264

Old drugs in new therapeutic indications - the case of chloroquine
 

Grzybowski, Bartosz A., Grynkiewicz, Grzegorz

Polish Technical Review 1, 5-10 (2020) COVER ART

   

263

Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
 

Sara Szymkuc, Ewa P. Gajewska, Karol Molga, Agnieszka Wolos, Rafal Roszak, Wiktor Beker, Martyna Moskal, Piotr Dittwald and Bartosz A. Grzybowski*

Chem. Sci. 11, 6736-6744 (2020)

 

   

262

Additive Contact Polarization of Nonferroelectric Polymers for Patterning of Multilevel Memory Elements
 

Witold Adamkiewicz, Marta M. Siek, Tomasz W. Mazur, Slawomir Lach, and Bartosz A. Grzybowski*

ACS Applied Materials & Interfaces, 12, 1504-1510 (2020)


 

   

[1]

grzybowski-group.net
50, UNIST-gil, Ulsan 44919, Republic of Korea.
Copyright 2016 grzybowski-group.net All rights reserved