Jason E. Hein
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View article: Closed-Loop: Vision-Guided Experimental Control in Self-Driving Labs
Closed-Loop: Vision-Guided Experimental Control in Self-Driving Labs Open
In experimental chemistry, actions are adjusted based on what we see—such as dosing until dissolution, heating until melting, or stirring until mixing is complete. However, current self-driving labs (SDLs) do not monitor these visual cues.…
View article: IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories
IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories Open
Self-driving laboratories (SDLs), powered by robotics, automation and artificial intelligence, accelerate scientific discoveries through autonomous experimentation. However, their adoption and transferability are limited by the lack of sta…
View article: Closed-Loop: Vision-Guided Experimental Control in Self-Driving Labs
Closed-Loop: Vision-Guided Experimental Control in Self-Driving Labs Open
In iterative optimization, actions are adjusted based on what we see—such as dosing until dissolution or stirring until mixing is complete. Self-driving laboratories (SDLs) offer an opportunity to guide experimental adjustments based on su…
View article: Commit: Mini article for dynamic reporting of incremental improvements to previous scholarly work
Commit: Mini article for dynamic reporting of incremental improvements to previous scholarly work Open
Introducing Commit, a new article type at Digital Discovery intended for reporting incremental improvements on work previously published in the journal.
View article: Human-AI synergy in adaptive active learning for continuous lithium carbonate crystallization optimization
Human-AI synergy in adaptive active learning for continuous lithium carbonate crystallization optimization Open
The synergy of human expertise and AI-enabled active learning accelerated process optimization, enabling battery-grade lithium production from impurity-rich brines while enhancing the economic viability of low-grade resources.
View article: Automating stochastic antibody–drug conjugation: a self-driving lab approach for enhanced therapeutic development
Automating stochastic antibody–drug conjugation: a self-driving lab approach for enhanced therapeutic development Open
We introduce a Self-Driving Lab (SDL) for automated stochastic antibody-drug conjugation (ADC) and characterization. The robotic platform performs conjugations and determines drug to antibody ratios from chromatography data, enabling the p…
View article: IvoryOS: an interoperable operating system for flexible self-driving laboratories
IvoryOS: an interoperable operating system for flexible self-driving laboratories Open
Graphical User Interfaces (GUIs) are essential for providing a user-friendly experience to chemists employing Self-Driving Laboratories (SDLs). However, building an interoperable GUI is challenging due to the diverse layouts, frameworks an…
View article: Halide Salts Alleviate TMSOK Inhibition in Suzuki–Miyaura Cross-Couplings
Halide Salts Alleviate TMSOK Inhibition in Suzuki–Miyaura Cross-Couplings Open
The Suzuki-Miyaura cross-coupling (SMC) remains one of the most widely used transformations available to chemists. Recently, robust new conditions achieving rapid reactivity under homogeneous aprotic conditions enabled by the use of potass…
View article: Leveraging GPT-4 to transform chemistry from paper to practice
Leveraging GPT-4 to transform chemistry from paper to practice Open
Large Language Models (LLMs) have revolutionized numerous industries as well as accelerated scientific research. However, their application in planning and conducting experimental science, has been limited. In this study, we introduce an a…
View article: Investigating the Origin of Epimerization Attenuation during Pd-Catalyzed Cross-Coupling Reactions
Investigating the Origin of Epimerization Attenuation during Pd-Catalyzed Cross-Coupling Reactions Open
Palladium-catalyzed cross-couplings remain among the most robust methodologies to form carbon-carbon and carbon-heteroatom bonds. In particular, carbon-nitrogen (C-N) couplings (Buchwald-Hartwig aminations) find widespread use in fine chem…
View article: Phase transfer catalysts shift the pathway to transmetalation in biphasic Suzuki-Miyaura cross-couplings
Phase transfer catalysts shift the pathway to transmetalation in biphasic Suzuki-Miyaura cross-couplings Open
The Suzuki-Miyaura coupling is a widely used C-C bond forming reaction. Numerous mechanistic studies have enabled the use of low catalyst loadings and broad functional group tolerance. However, the dominant mode of transmetalation remains …
View article: From eyes to cameras: Computer vision for high-throughput liquid-liquid separation
From eyes to cameras: Computer vision for high-throughput liquid-liquid separation Open
We present a high-throughput automation platform for screening liquid-liquid extraction (LLE) processes. Our hardware platform simultaneously screens up to 12 vials and is coupled with a computer vision (CV) system for real-time monitoring…
View article: Delocalized, asynchronous, closed-loop discovery of organic laser emitters
Delocalized, asynchronous, closed-loop discovery of organic laser emitters Open
Contemporary materials discovery requires intricate sequences of synthesis, formulation, and characterization that often span multiple locations with specialized expertise or instrumentation. To accelerate these workflows, we present a clo…
View article: Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters Open
Datasets related to the paper "Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters". Structures of all building blocks (cap_building_blocks.csv, bridge_building_blocks.csv, core_building_blocks.csv) Seed dataset of O…
View article: Kinalite A User-Friendly Online Tool for Automated Variable Time Normalization Analysis (VTNA)
Kinalite A User-Friendly Online Tool for Automated Variable Time Normalization Analysis (VTNA) Open
We introduce Kinalite, an innovative automation software designed to streamline kinetic analysis in chemical research. This tool utilizes concentration versus time profiles to conduct Variable Time Normalization Analysis (VTNA), effectivel…
View article: From Eyes to Cameras: Computer Vision for High-Throughput Liquid-Liquid Separation
From Eyes to Cameras: Computer Vision for High-Throughput Liquid-Liquid Separation Open
We present a modular, high-throughput (HT) automation platform for screening Liquid-Liquid Extraction (LLE) workup processes. Our automated hardware platform simultaneously screens up to 12 vials, and is coupled with a computer vision (CV)…
View article: Artificial Intelligence-Enabled Optimization of Battery-Grade Lithium Carbonate Production
Artificial Intelligence-Enabled Optimization of Battery-Grade Lithium Carbonate Production Open
By 2035, the need for battery-grade lithium is expected to quadruple. About half of this lithium is currently sourced from brines and must be converted from a chloride into lithium carbonate (Li2CO3) through a process called softening. Con…
View article: Leveraging GPT-4 to transform chemistry from paper to practice
Leveraging GPT-4 to transform chemistry from paper to practice Open
We present a two-step prompting approach to streamline literature reproduction, transforming published methods into detailed protocols and then into executable experimental steps for the Mettler Toledo EasyMax automated lab reactor.
View article: Artificial intelligence-enabled optimization of battery-grade lithium carbonate production
Artificial intelligence-enabled optimization of battery-grade lithium carbonate production Open
Employing AI to optimize the production of battery-grade lithium carbonate through a CO 2 -driven process, enhancing efficiency and reducing environmental impact of industrial Li production.
View article: Dynamic sampling in autonomous process optimization
Dynamic sampling in autonomous process optimization Open
Autonomous process optimization (APO) is a technology that has recently found utility in a multitude of process optimization challenges.
View article: Guidelines for hardware-focused articles
Guidelines for hardware-focused articles Open
In this editorial we set expectations and requirements for submissions describing discovery-enabling hardware.
View article: Correction: Applying quantum mechanics to deconvolute benchtop <sup>1</sup>H NMR reaction data
Correction: Applying quantum mechanics to deconvolute benchtop <sup>1</sup>H NMR reaction data Open
Correction for ‘Applying quantum mechanics to deconvolute benchtop 1 H NMR reaction data’ by Jiayu Zhang et al. , React. Chem. Eng. , 2024, https://doi.org/10.1039/D3RE00583F.
View article: A reliable external calibration method for reaction monitoring with benchtop NMR
A reliable external calibration method for reaction monitoring with benchtop NMR Open
Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical technique with the ability to acquire both quantitative and structurally insightful data for multiple components in a test sample. This makes NMR spectroscopy a desirab…
View article: Accelerated chemical science with AI
Accelerated chemical science with AI Open
The ASLLA Symposium focused on accelerating chemical science with AI. Discussions on data, new applications, algorithms, and education were summarized. Recommendations for researchers, educators, and academic bodies were provided.
View article: Keeping an “eye” on the experiment: computer vision for real-time monitoring and control
Keeping an “eye” on the experiment: computer vision for real-time monitoring and control Open
Chemists heavily rely on visual cues for routine tasks. Here, we introduce a computer vision system to automatically monitor and control diverse workup processes based on visual aspects, advancing toward autonomous operations.
View article: Balancing act: when to flex and when to stay fixed
Balancing act: when to flex and when to stay fixed Open
View article: Keeping an “eye” on the experiment: computer vision for real-time monitoring and control
Keeping an “eye” on the experiment: computer vision for real-time monitoring and control Open
This work presents a generalizable computer vision (CV) and machine learning model that is used for automated real-time monitoring and control of a diverse array of workup processes. Our system simultaneously monitors multiple physical par…
View article: Code and trained model for "Keeping an 'Eye' on the Experiment: Computer Vision for Real-Time Monitoring and Control"
Code and trained model for "Keeping an 'Eye' on the Experiment: Computer Vision for Real-Time Monitoring and Control" Open
This repository includes the dataset for the HeinSight 2.0 model, comprising 823 training images and 103 testing images. It encompasses the pretrained model weights along with its code and the 3D design for the camera enclosure used to cap…
View article: Code and trained model for "Keeping an 'Eye' on the Experiment: Computer Vision for Real-Time Monitoring and Control"
Code and trained model for "Keeping an 'Eye' on the Experiment: Computer Vision for Real-Time Monitoring and Control" Open
This repository includes the dataset for the HeinSight 2.0 model, comprising 823 training images and 103 testing images. It encompasses the pretrained model weights along with its code and the 3D design for the camera enclosure used to cap…
View article: Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of <i>on‐line</i> stopped‐flow and continuous‐flow sampling methods
Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of <i>on‐line</i> stopped‐flow and continuous‐flow sampling methods Open
The ability for nuclear magnetic resonance (NMR) spectroscopy to provide quantitative, structurally rich information makes this spectroscopic technique an attractive reaction monitoring tool. The practicality of NMR for this type of analys…