Operator-free HPLC automated method development guided by Bayesian optimization DOI Creative Commons
Thomas M. Dixon, Jeanine Williams, Maximilian O. Besenhard

и другие.

Digital Discovery, Год журнала: 2024, Номер 3(8), С. 1591 - 1601

Опубликована: Янв. 1, 2024

Automated, closed-loop HPLC method optimization using single and multi-objective Bayesian algorithms.

Язык: Английский

Murottal Audio as a Medium for Memorizing the Qur’an in Super-Active Children DOI Creative Commons

Susi Safitri,

Mahmeed Alii,

Omar Mahmud

и другие.

Journal International Inspire Education Technology, Год журнала: 2022, Номер 1(2), С. 111 - 124

Опубликована: Авг. 14, 2022

The study aimed to develop murottal audio media as a medium for memorizing the Qur’an in tahfiz learn this schools of scholars boarding school payakumbuh. Learning that uses will make child even more excited improving improve onroveon. Every who is given mutual positive impact continuing their memorization, therefore feelrefeel beneficial helpful student beneficialg out recitation seta Qur’totalottal applications straightforward effortless get and also easy download on mobile phones because increasingly sophisticated modern technology makes it us them. Making students well any application social media, namely youtube, Instagram, WhatsApp, TikTok, vidmate application. A have an if used appropriately. Therefore teachers must be wise explaining students. which there significantly letediousiare. are dsssenly want pay attention lessons by teachers, so order not happen boring lessons, needed learning process enthusiasti about letherning takes place.

Язык: Английский

Процитировано

57

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation DOI Creative Commons
Yunchao Xie, Kianoosh Sattari, Chi Zhang

и другие.

Progress in Materials Science, Год журнала: 2022, Номер 132, С. 101043 - 101043

Опубликована: Ноя. 11, 2022

Язык: Английский

Процитировано

56

Materials Design of Highly Branched Bottlebrush Polymers at the Intersection of Modeling, Synthesis, Processing, and Characterization DOI
Tianyuan Pan, Sarit Dutta, Yash Kamble

и другие.

Chemistry of Materials, Год журнала: 2022, Номер 34(5), С. 1990 - 2024

Опубликована: Фев. 23, 2022

Highly branched "bottlebrush" polymers are a class of macromolecules characterized by side chains that densely grafted from backbone is typically linear. Their unique and often-desirable properties stem steric repulsion between chains, which stiffens the molecular contour increases interchain spacing. There has been renaissance in both our fundamental understanding, practical synthesis, application these materials, due to synergistic advances all branches polymer science. In this perspective, we outline how wide variety new functional bottlebrush materials have emerged convergence insights entire design process; integration characterization, processing, modeling demonstrated promise as versatile platform for engineering. We discuss may be further developed exhibit novel material out equilibrium put into practice next generation synthetic, analytical, computational tools chemistry.

Язык: Английский

Процитировано

44

Semiautomated synthesis of sequence-defined polymers for information storage DOI Creative Commons
Jeong Min Lee, Jun-Ho Kwon, Soo Jeong Lee

и другие.

Science Advances, Год журнала: 2022, Номер 8(10)

Опубликована: Март 11, 2022

Accelerated and parallel synthesis of sequence-defined polymers is an utmost challenge for realizing ultrahigh-density storage digital information in molecular media. Here, we report step-economical poly( l -lactic- co -glycolic acid)s (PLGAs) using continuous flow chemistry. A reactor performed the programmed coupling 2-bit storing building blocks to generate a library their permutations single flow, followed by sequential convergences PLGA 64 bits four successive flows. We demonstrate that bitmap image (896 bits) can be encoded decoded 14 PLGAs only fraction time required equivalent conventional batch processes. could also contribute macromolecular engineering with precision comparable natural precedents.

Язык: Английский

Процитировано

43

Continuous stirred-tank reactor cascade platform for self-optimization of reactions involving solids DOI Creative Commons
Kakasaheb Y. Nandiwale, Travis Hart, Andrew F. Zahrt

и другие.

Reaction Chemistry & Engineering, Год журнала: 2022, Номер 7(6), С. 1315 - 1327

Опубликована: Янв. 1, 2022

Research-scale fully automated flow platform for reaction self-optimization with solids handling facilitates identification of optimal conditions continuous manufacturing pharmaceuticals while reducing amounts raw materials consumed.

Язык: Английский

Процитировано

41

An integrated self-optimizing programmable chemical synthesis and reaction engine DOI Creative Commons
Artem I. Leonov, Alexander Hammer, Sławomir Lach

и другие.

Nature Communications, Год журнала: 2024, Номер 15(1)

Опубликована: Фев. 9, 2024

Abstract Robotic platforms for chemistry are developing rapidly but most systems not currently able to adapt changing circumstances in real-time. We present a dynamically programmable system capable of making, optimizing, and discovering new molecules which utilizes seven sensors that continuously monitor the reaction. By dynamic programming language, we demonstrate 10-fold scale-up highly exothermic oxidation reaction, end point detection, as well detecting critical hardware failures. also show how use in-line spectroscopy such HPLC, Raman, NMR can be used closed-loop optimization reactions, exemplified using Van Leusen oxazole synthesis, four-component Ugi condensation manganese-catalysed epoxidation two previously unreported discovered from selected chemical space, providing up 50% yield improvement over 25–50 iterations. Finally, an experimental pipeline explore trifluoromethylations reaction discovers molecules.

Язык: Английский

Процитировано

15

Machine Learning Applications for Chemical Reactions DOI Creative Commons
Sanggil Park, Herim Han, Hyungjun Kim

и другие.

Chemistry - An Asian Journal, Год журнала: 2022, Номер 17(14)

Опубликована: Апрель 26, 2022

Abstract Machine learning (ML) approaches have enabled rapid and efficient molecular property predictions as well the design of new novel materials. In addition to great success for problems, ML techniques are applied various chemical reaction problems that require huge costs solve with existing experimental simulation methods. this review, starting basic representations reactions, we summarized recent achievements studies on two different problems; predicting properties synthetic routes. The models used predict physical related (e. g. thermodynamic changes, activation barriers, rates). Furthermore, reactivity, self‐optimization reaction, designing retrosynthetic paths also tackled by approaches. Herein illustrate strategies utilized in context studies.

Язык: Английский

Процитировано

30

Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening DOI Creative Commons
Christian P. Haas,

Maximilian Lübbesmeyer,

Edward H. Jin

и другие.

ACS Central Science, Год журнала: 2023, Номер 9(2), С. 307 - 317

Опубликована: Фев. 9, 2023

Automation and digitalization solutions in the field of small molecule synthesis face new challenges for chemical reaction analysis, especially high-performance liquid chromatography (HPLC). Chromatographic data remains locked vendors' hardware software components, limiting their potential automated workflows science applications. In this work, we present an open-source Python project called MOCCA analysis HPLC-DAD (photodiode array detector) raw data. provides a comprehensive set features, including peak deconvolution routine known signals, even if overlapped with signals unexpected impurities or side products. We highlight broad applicability four studies: (i) simulation study to validate MOCCA's features; (ii) kinetics on Knoevenagel condensation demonstrating feature; (iii) closed-loop optimization alkylation 2-pyridone without human control during analysis; (iv) well plate screening categorical parameters novel palladium-catalyzed cyanation aryl halides employing O-protected cyanohydrins. By publishing as package envision community chromatographic further advancing its scope capabilities.

Язык: Английский

Процитировано

21

Automated synthesis and processing of functional nanomaterials: Advances and perspectives DOI
Masoud Negahdary, Samuel Mabbott

Coordination Chemistry Reviews, Год журнала: 2024, Номер 523, С. 216249 - 216249

Опубликована: Окт. 11, 2024

Язык: Английский

Процитировано

8

Recent advances in synthetic organic electrochemistry using flow systems DOI Creative Commons
David Cantillo

Current Opinion in Electrochemistry, Год журнала: 2024, Номер 44, С. 101459 - 101459

Опубликована: Фев. 6, 2024

The recent resurgence of electrochemical methods in organic synthesis has also boosted the interest use flow electrolysis cells. Flow electrolyzers are essential tools for scale up processes due to their high electrode surface area reactor volume ratio, which only depends on interelectrode gap regardless size. Recent literature topic reveals that cell a very common tool lab provide gram amounts material, often enabling lower voltages and decrease supporting electrolyte needed reaction. Scale-up multi-100 g kilogram been demonstrated both using numbering sizing strategies.

Язык: Английский

Процитировано

7