* . *
  • About
  • Advertise
  • Privacy & Policy
  • Contact
Monday, May 26, 2025
Earth-News
  • Home
  • Business
  • Entertainment
    Ways to save money on entertainment and travel this summer – CBS News

    Smart Strategies to Slash Your Summer Entertainment and Travel Costs!

    ‘Devil Wears Prada 2’ Sparks Debate Over Miranda Priestly’s Fate – Yahoo

    Will Miranda Priestly Rise Again? The Controversy Surrounding ‘Devil Wears Prada 2

    CT Senate backs panel to support struggling live entertainment venues – WSHU

    CT Senate Approves New Initiative to Aid Struggling Live Entertainment Venues

    Elizabeth Hurley Will Be ‘Deceased’ on New Reality Show The Inheritance – Yahoo

    Elizabeth Hurley Takes a Bold Turn in New Reality Show ‘The Inheritance

    SRM Entertainment Announces $5 Million Private Placement – GlobeNewswire

    SRM Entertainment Secures $5 Million Investment to Fuel Growth!

    Embracer intends to spin off Coffee Stain Group by the end of 2025, with remaining business rebranded as Fellowship Entertainment – GamesIndustry.biz

    Embracer intends to spin off Coffee Stain Group by the end of 2025, with remaining business rebranded as Fellowship Entertainment – GamesIndustry.biz

  • General
  • Health
  • News

    Cracking the Code: Why China’s Economic Challenges Aren’t Shaking Markets, Unlike America’s” – Bloomberg

    Trump’s Narrow Window to Spread the Truth About Harris

    Trump’s Narrow Window to Spread the Truth About Harris

    Israel-Gaza war live updates: Hamas leader Ismail Haniyeh assassinated in Iran, group says

    Israel-Gaza war live updates: Hamas leader Ismail Haniyeh assassinated in Iran, group says

    PAP Boss to Niger Delta Youths, Stay Away from the Protest

    PAP Boss to Niger Delta Youths, Stay Away from the Protest

    Court Restricts Protests In Lagos To Freedom, Peace Park

    Court Restricts Protests In Lagos To Freedom, Peace Park

    Fans React to Jazz Jennings’ Inspiring Weight Loss Journey

    Fans React to Jazz Jennings’ Inspiring Weight Loss Journey

    Trending Tags

    • Trump Inauguration
    • United Stated
    • White House
    • Market Stories
    • Election Results
  • Science
  • Sports
  • Technology
    Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

    Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

    Prediction: This Will Be the First Mega Technology Company to Split Its Stock in 2025 (and It Isn’t Tesla) – The Motley Fool

    Get Ready: The First Mega Tech Company Set to Split Its Stock in 2025 (And It’s Not Tesla!)

    SD state worker promoted to lead Bureau of Information and Technology and its $88 million budget – South Dakota Searchlight

    South Dakota State Worker Takes the Helm of Bureau of Information and Technology with an $88 Million Budget!

    The data center boom in the desert – MIT Technology Review

    Unleashing the Desert: The Thriving Data Center Revolution

    T. Hasegawa creates flavor technology for plant-based applications – Food Business News

    Revolutionizing Taste: T. Hasegawa’s Innovative Flavor Technology for Plant-Based Foods

    Nike cuts some jobs in technology division – Reuters

    Nike Streamlines Workforce: Job Cuts in Technology Division

    Trending Tags

    • Nintendo Switch
    • CES 2017
    • Playstation 4 Pro
    • Mark Zuckerberg
No Result
View All Result
  • Home
  • Business
  • Entertainment
    Ways to save money on entertainment and travel this summer – CBS News

    Smart Strategies to Slash Your Summer Entertainment and Travel Costs!

    ‘Devil Wears Prada 2’ Sparks Debate Over Miranda Priestly’s Fate – Yahoo

    Will Miranda Priestly Rise Again? The Controversy Surrounding ‘Devil Wears Prada 2

    CT Senate backs panel to support struggling live entertainment venues – WSHU

    CT Senate Approves New Initiative to Aid Struggling Live Entertainment Venues

    Elizabeth Hurley Will Be ‘Deceased’ on New Reality Show The Inheritance – Yahoo

    Elizabeth Hurley Takes a Bold Turn in New Reality Show ‘The Inheritance

    SRM Entertainment Announces $5 Million Private Placement – GlobeNewswire

    SRM Entertainment Secures $5 Million Investment to Fuel Growth!

    Embracer intends to spin off Coffee Stain Group by the end of 2025, with remaining business rebranded as Fellowship Entertainment – GamesIndustry.biz

    Embracer intends to spin off Coffee Stain Group by the end of 2025, with remaining business rebranded as Fellowship Entertainment – GamesIndustry.biz

  • General
  • Health
  • News

    Cracking the Code: Why China’s Economic Challenges Aren’t Shaking Markets, Unlike America’s” – Bloomberg

    Trump’s Narrow Window to Spread the Truth About Harris

    Trump’s Narrow Window to Spread the Truth About Harris

    Israel-Gaza war live updates: Hamas leader Ismail Haniyeh assassinated in Iran, group says

    Israel-Gaza war live updates: Hamas leader Ismail Haniyeh assassinated in Iran, group says

    PAP Boss to Niger Delta Youths, Stay Away from the Protest

    PAP Boss to Niger Delta Youths, Stay Away from the Protest

    Court Restricts Protests In Lagos To Freedom, Peace Park

    Court Restricts Protests In Lagos To Freedom, Peace Park

    Fans React to Jazz Jennings’ Inspiring Weight Loss Journey

    Fans React to Jazz Jennings’ Inspiring Weight Loss Journey

    Trending Tags

    • Trump Inauguration
    • United Stated
    • White House
    • Market Stories
    • Election Results
  • Science
  • Sports
  • Technology
    Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

    Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

    Prediction: This Will Be the First Mega Technology Company to Split Its Stock in 2025 (and It Isn’t Tesla) – The Motley Fool

    Get Ready: The First Mega Tech Company Set to Split Its Stock in 2025 (And It’s Not Tesla!)

    SD state worker promoted to lead Bureau of Information and Technology and its $88 million budget – South Dakota Searchlight

    South Dakota State Worker Takes the Helm of Bureau of Information and Technology with an $88 Million Budget!

    The data center boom in the desert – MIT Technology Review

    Unleashing the Desert: The Thriving Data Center Revolution

    T. Hasegawa creates flavor technology for plant-based applications – Food Business News

    Revolutionizing Taste: T. Hasegawa’s Innovative Flavor Technology for Plant-Based Foods

    Nike cuts some jobs in technology division – Reuters

    Nike Streamlines Workforce: Job Cuts in Technology Division

    Trending Tags

    • Nintendo Switch
    • CES 2017
    • Playstation 4 Pro
    • Mark Zuckerberg
No Result
View All Result
Earth-News
No Result
View All Result
Home Science

New strategy for assessing the applicability of reactions

April 10, 2024
in Science
New strategy for assessing the applicability of reactions
Share on FacebookShare on Twitter

New strategy for assessing the applicability of reactions

The team led by Prof Frank Glorius transferred all approved active pharmaceutical ingredients into a digital code. Credit: Uni MS – Debanjan Rana/ Glorius Group

Chemists often develop and optimize new chemical reactions using so-called model systems, i.e., simple, easily accessible substrates. They then use up to around 100 other substrates as examples to show that the reaction works. This demonstration of versatile applicability is called “scope” in technical jargon.

However, a subjective selection of substrates often results in a distorted picture of the range of applications of the newly developed reaction. It is often unclear whether it can be used to synthesize a desired product. To address this problem, a team led by chemist Prof Frank Glorius from the University of Münster (Germany) is proposing a computer-aided, bias-free method for selecting the model substrates to evaluate new chemical reactions.

The selection of substrates is based on the complexity and structural properties of real pharmaceutical compounds. “Our method aims to improve the quality and information content of chemical reaction data in the future and to close knowledge gaps,” explains Glorius.

A deeper understanding of new reactions lowers the barriers to their application in both an academic and industrial context. The availability of high-quality, unbiased data also significantly facilitates the use of machine learning and paves the way for a more comprehensive use of the data. The work has been published in the journal ACS Central Science.

According to the team’s authors, attempts to standardize and objectify the development and evaluation of chemical reactions are still quite new and relatively uncommon. “We would like to initiate a ‘rethinking process’ with our publication. Instead of doing as many experiments as possible, which are often biased or have a predictable outcome, the focus should be on obtaining the best possible data about new chemical reactions,” says first author Debanjan Rana.

Other scientists have also tried to evaluate chemical reactions on the basis of “better” selected substrates. However, this work was limited to special cases—either to firmly selected structures with pharmaceutical relevance or to structures specially tailored for a single reaction, which have to be calculated and selected in a complex process.

In contrast to the previous work, the method presented by the Münster team takes the entire structure of a molecule into account, which makes it universally applicable to any chemical reaction.

Niklas Hölter, one of the paper’s authors in Münster, explains the thought process behind the study: “Scope is of central importance in all publications on chemical synthesis. However, chemists are often biased in their choice of substrate compounds to test.

“For example, they choose substrates that are structurally very simple, very similar to the model substrate or simply just available in the laboratory (‘selection bias’). They often don’t mention unsuccessful reactions at all in their publication in order to paint a better picture (‘reporting bias’).”

When synthesizing new chemical compounds, such as active ingredients or materials, chemists have to select the most suitable method for producing the target compound from a large number of known chemical reactions and methods. To do this, they consider several factors, such as the yield of the desired product as well as environmental and safety aspects. The development of new, versatile chemical reactions therefore continues to be a focus of current chemical research.

The method developed by the team at the University of Münster used molecular fingerprints to transfer all approved active pharmaceutical ingredients into a digital code. Using unsupervised machine-learning and clustering methods, they created a model that divides this “space” of active pharmaceutical ingredients into chemically meaningful regions based on molecular structures.

To evaluate a new chemical reaction, thousands of potential test substrates can be projected into the same space using the machine-learning model. A test substrate is automatically selected from the center of each of the previously identified regions to cover the entire space without bias.

More information:
Debanjan Rana et al, Standardizing Substrate Selection: A Strategy toward Unbiased Evaluation of Reaction Generality, ACS Central Science (2024). DOI: 10.1021/acscentsci.3c01638

Citation:
New strategy for assessing the applicability of reactions (2024, April 10)
retrieved 10 April 2024
from https://phys.org/news/2024-04-strategy-applicability-reactions.html

This document is subject to copyright. Apart from any fair dealing for the purpose of private study or research, no
part may be reproduced without the written permission. The content is provided for information purposes only.

>>> Read full article>>>
Copyright for syndicated content belongs to the linked Source : Phys.org – https://phys.org/news/2024-04-strategy-applicability-reactions.html

Tags: AssessingscienceStrategy
Previous Post

3D mouth of an ancient jawless fish suggests they were filter-feeders, not scavengers or hunters

Next Post

Quantum crystal of frozen electrons—the Wigner crystal—is visualized for the first time

If a Tree Falls in the Forest, Was it a Pine? UVA Researchers Can Make a Good Guess – UVA Today

Decoding Nature: UVA Researchers Unravel the Mystery of Forest Sounds

May 26, 2025
The extraordinary enigma of ordinary tickle behavior: Why gargalesis still puzzles neuroscience – Science | AAAS

Unlocking the Mystery of Tickle: Why Gargalesis Continues to Baffle Neuroscience

May 26, 2025
GAME DAY | U.S. Plays for Gold Today in Men’s Worlds Against Swiss – Team USA Hockey

Gold Medal Showdown: Team USA Faces Off Against Switzerland in Men’s World Championship!

May 26, 2025
Outside In | How sustainable is a US economy heavily dependent on arms sales? – South China Morning Post

Inside the Arms Trade: Assessing the Sustainability of a US Economy Reliant on Military Sales

May 26, 2025
Top Dawg Entertainment Delivers Spring 2025 Racing Collection – hypebeast.com

Rev Up Your Style: Top Dawg Entertainment Unveils Exciting Spring 2025 Racing Collection!

May 26, 2025
Mrs. California America uses crown to champion mental health – CBS News

Mrs. California America: Using Her Crown to Champion Mental Health Awareness

May 26, 2025
Christianity Is Political – Catholic Answers

Christianity Is Political – Catholic Answers

May 26, 2025
Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

Stripe announced as new headline sponsor of Young Scientist & Technology Exhibition – The Irish Times

May 26, 2025
Oklahoma’s Brent Venables, Auburn’s Hugh Freeze among coaches who can significantly boost ranking in 2025 – CBS Sports

Game Changers: How Brent Venables and Hugh Freeze Could Transform Their Teams’ Rankings by 2025

May 25, 2025
AhnLab employees clean up Tancheon Wetland to support local ecology – Chosunbiz

AhnLab Team Takes Action: Revitalizing Tancheon Wetland for a Greener Future!

May 25, 2025

Categories

Archives

May 2025
MTWTFSS
 1234
567891011
12131415161718
19202122232425
262728293031 
« Apr    
Earth-News.info

The Earth News is an independent English-language daily published Website from all around the World News

Browse by Category

  • Business (20,132)
  • Ecology (640)
  • Economy (653)
  • Entertainment (21,562)
  • General (15,236)
  • Health (9,694)
  • Lifestyle (657)
  • News (22,149)
  • People (654)
  • Politics (660)
  • Science (15,876)
  • Sports (21,160)
  • Technology (15,640)
  • World (642)

Recent News

If a Tree Falls in the Forest, Was it a Pine? UVA Researchers Can Make a Good Guess – UVA Today

Decoding Nature: UVA Researchers Unravel the Mystery of Forest Sounds

May 26, 2025
The extraordinary enigma of ordinary tickle behavior: Why gargalesis still puzzles neuroscience – Science | AAAS

Unlocking the Mystery of Tickle: Why Gargalesis Continues to Baffle Neuroscience

May 26, 2025
  • About
  • Advertise
  • Privacy & Policy
  • Contact

© 2023 earth-news.info

No Result
View All Result

© 2023 earth-news.info

No Result
View All Result

© 2023 earth-news.info

Go to mobile version