Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Predicting Reaction Outcomes02:24

Predicting Reaction Outcomes

8.5K
Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
8.5K
Alkylation of β-Diester Enolates: Malonic Ester Synthesis01:14

Alkylation of β-Diester Enolates: Malonic Ester Synthesis

3.4K
Malonic ester synthesis is a method to obtain α substituted carboxylic acids from ꞵ-diesters such as diethyl malonate and alkyl halides.
3.4K
Laminar Flow: Problem Solving01:24

Laminar Flow: Problem Solving

214
Laminar flow occurs when a fluid moves smoothly in parallel layers with minimal mixing and turbulence. In fluid mechanics, ensuring laminar flow within a pipe is essential for precise control of flow characteristics, especially in engineering applications. The key factor in determining whether flow remains laminar is the Reynolds number, a dimensionless quantity that depends on the fluid's velocity, density, viscosity, and the pipe's diameter. A Reynolds number of 2100 or lower...
214
Multi-input and Multi-variable systems01:22

Multi-input and Multi-variable systems

129
Cruise control systems in cars are designed as multi-input systems to maintain a driver's desired speed while compensating for external disturbances such as changes in terrain. The block diagram for a cruise control system typically includes two main inputs: the desired speed set by the driver and any external disturbances, such as the incline of the road. By adjusting the engine throttle, the system maintains the vehicle's speed as close to the desired value as possible.
In the absence...
129
Turbulent Flow: Problem Solving01:09

Turbulent Flow: Problem Solving

159
Carbonation is a process used to dissolve carbon dioxide gas in a liquid, commonly used in the production of carbonated beverages. Achieving efficient carbonation requires careful control of temperature, pressure, and flow conditions. By adjusting these parameters, carbonation efficiency can be maximized, producing a higher concentration of CO2 in the liquid.
Temperature is a key factor in CO2 solubility. In this case, the CO2 gas and the liquid are cooled to 20°C. Lower temperatures...
159
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

81
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
81

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Fluorescent Detection of Aqueous <i>N</i>-Nitrosodimethylamine via Photochemical Transformation and Affinity Capture.

Journal of the American Chemical Society·2026
Same author

Shedding light on bacterial fitness in a tug-of-war with liquid crystal emulsions.

Nature communications·2026
Same author

Interpretable machine learning-based automated HPLC/MS<sup>2</sup> platform using ion-molecule reactions for the identification of functionalities in analytes.

Chemical science·2026
Same author

Through-space donor-acceptor homoconjugation strategies for emissive radical species.

Chemical science·2026
Same author

Artificial Intelligence-Based LC-OzESI-MRM for Isomer-Resolved Triacylglycerol Profiling by In-Source Ozonolysis.

Analytical chemistry·2026
Same author

Synergizing Chemical and AI Communities for Advancing Laboratories of the Future.

ACS central science·2026

Related Experiment Video

Updated: Jul 20, 2025

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
08:24

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling

Published on: November 11, 2008

16.4K

Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active

John H Dunlap1,2, Jeffrey G Ethier1,2, Amelia A Putnam-Neeb1,3

  • 1Materials and Manufacturing Directorate, Air Force Research Laboratory Wright-Patterson AFB OH 45433 USA luke.baldwin.1@us.af.mil.

Chemical Science
|August 4, 2023
PubMed
Summary

We optimized butylpyridinium bromide synthesis using Bayesian optimization (EDBO+) in continuous flow, achieving high yield and production rates. Data analysis methods impacted model predictions, highlighting the importance of accurate nuclear magnetic resonance (NMR) interpretation.

More Related Videos

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
07:20

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

3.6K
Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid
07:06

Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid

Published on: November 15, 2017

11.5K

Related Experiment Videos

Last Updated: Jul 20, 2025

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
08:24

Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling

Published on: November 11, 2008

16.4K
Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
07:20

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

3.6K
Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid
07:06

Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid

Published on: November 15, 2017

11.5K

Area of Science:

  • Chemical Engineering
  • Organic Chemistry
  • Computational Chemistry

Background:

  • Continuous flow chemistry offers enhanced control and scalability over traditional batch processes.
  • Bayesian optimization is a powerful tool for multi-objective experimental design.
  • Accurate data analysis, particularly from nuclear magnetic resonance (NMR) spectroscopy, is crucial for reliable chemical synthesis optimization.

Purpose of the Study:

  • To implement a human-in-the-loop Bayesian optimization platform (EDBO+) for optimizing butylpyridinium bromide synthesis.
  • To simultaneously optimize reaction yield and production rate (space-time yield) under continuous flow conditions.
  • To investigate the impact of different data analysis methods on the optimization model's predictions.

Main Methods:

  • Utilized a Bayesian optimization platform (EDBO+) for multi-objective experimental design.
  • Employed continuous flow reactors for synthesis, enabling precise parameter control.
  • Applied the nmrglue Python module for semi-automated NMR data analysis and compared it with manual processing.
  • Retrained the EDBO+ model with data from low-field and high-field NMR spectrometers using both analysis methods.

Main Results:

  • Successfully generated a Pareto front, optimizing both reaction yield and space-time yield.
  • Demonstrated the platform's versatility by expanding the reaction temperature range mid-campaign.
  • Showcased the influence of NMR data analysis techniques on the predictive accuracy of the optimization model.
  • Extended continuous flow chemistry to synthesize functional materials via quaternization of poly(4-vinylpyridine).

Conclusions:

  • EDBO+ effectively optimizes multi-objective chemical syntheses in continuous flow.
  • The choice of data analysis method significantly affects Bayesian optimization model performance.
  • Continuous flow chemistry, coupled with robust data analysis, provides a scalable and automated route for chemical synthesis and materials development.