• HOME
  • NEWS
  • EXPLORE
    • CAREER
      • Companies
      • Jobs
    • EVENTS
    • iGEM
      • News
      • Team
    • PHOTOS
    • VIDEO
    • WIKI
  • BLOG
  • COMMUNITY
    • FACEBOOK
    • INSTAGRAM
    • TWITTER
Friday, October 3, 2025
BIOENGINEER.ORG
No Result
View All Result
  • Login
  • HOME
  • NEWS
  • EXPLORE
    • CAREER
      • Companies
      • Jobs
        • Lecturer
        • PhD Studentship
        • Postdoc
        • Research Assistant
    • EVENTS
    • iGEM
      • News
      • Team
    • PHOTOS
    • VIDEO
    • WIKI
  • BLOG
  • COMMUNITY
    • FACEBOOK
    • INSTAGRAM
    • TWITTER
  • HOME
  • NEWS
  • EXPLORE
    • CAREER
      • Companies
      • Jobs
        • Lecturer
        • PhD Studentship
        • Postdoc
        • Research Assistant
    • EVENTS
    • iGEM
      • News
      • Team
    • PHOTOS
    • VIDEO
    • WIKI
  • BLOG
  • COMMUNITY
    • FACEBOOK
    • INSTAGRAM
    • TWITTER
No Result
View All Result
Bioengineer.org
No Result
View All Result
Home NEWS Science News Chemistry

Particle analysis improves outcomes in pharmaceutical and crystalline materials design

by
July 17, 2024
in Chemistry
Reading Time: 3 mins read
0
CSD-Particle can provide insight into surface chemistry and topology
Share on FacebookShare on TwitterShare on LinkedinShare on RedditShare on Telegram

A study published in Crystal Growth & Design, “Surface Analysis – From Crystal Structures to Particle Properties,” highlights the suite’s ability to visualize and quantify chemical and topological information from crystallographic data. Applied to the case study of punch sticking for ibuprofen particles, this approach can reduce the need for expensive trial-and-error methods by providing data-driven guidance for formulators and particle engineers.

CSD-Particle can provide insight into surface chemistry and topology

Credit: The Cambridge Crystallographic Data Centre (CCDC)

A study published in Crystal Growth & Design, “Surface Analysis – From Crystal Structures to Particle Properties,” highlights the suite’s ability to visualize and quantify chemical and topological information from crystallographic data. Applied to the case study of punch sticking for ibuprofen particles, this approach can reduce the need for expensive trial-and-error methods by providing data-driven guidance for formulators and particle engineers.

Another study in Crystal Growth & Design, “Identifying Possible Slip Systems of Molecular Crystals via a Geometry-Based Procedure,” builds on a previously published method (Predicting mechanical properties of crystalline materials through topological analysis ) to identify slip systems in molecular crystals developed by CCDC scientists by using a steric hindrance parameter to quantify molecular overlap as an impediment to slip. This efficient procedure helped to predict the plasticity of energetic materials, supporting better design for these complex products.

A third study in Powder Diffraction, “Predicting Particle Quality Attributes of Organic Crystalline Materials using Particle Informatics,” explored the surface properties of crystals of a novel quercetin solvate of dimethylformamide (QDMF). Using CSD-Particle, researchers explored key features of the QDMF particles and validated their findings with experimental methods such as Atomic Force Microscopy (AFM), demonstrating the suite’s accuracy and utility.

While the primary application of these tools will be in drug development, their utility extends to the development of agrochemicals, such as pesticides, and other advanced materials and formulated products, where early knowledge of surface properties is advantageous.

These innovations mark a significant advancement in the comprehensive understanding of particle surfaces and their impact on product performance, supporting formulators and particle engineers in making informed, data-driven decisions.

Press Contact

Michael Francis, CCDC Marketing, [email protected]

Notes to Editors

  • Interviews with CCDC scientists and C-level executives available upon request.

  • Stunning molecular images for both print and electronic use available upon request (credited: Image generated using CSD-Particle. Courtesy of the The Cambridge Crystallographic Data Centre (CCDC)).

  • More information on CSD-Particle can be found here.

  • Video introduction to the CCDC and the benefits offered by working together.

  • The three published scientific papers mentioned in this release:

    • Surface Analysis─From Crystal Structures to Particle Properties

    • Identifying Possible Slip Systems of Molecular Crystals via a Geometry-Based Procedure

    • Predicting particle quality attributes of organic crystalline materials using Particle Informatics

CSD-Particle is part of the CCDC’s commitment to enhancing the efficiency and effectiveness of pharmaceutical and fine chemical manufacturing. Designed in collaboration with leading academic and industrial partners, including AstraZeneca, Bristol-Myers Squibb, GlaxoSmithKline, and Pfizer, CSD-Particle tools were developed through collaborative projects such as the Advanced Digital Design of Pharmaceutical Therapeutics (ADDoPT) and the Digital Design Accelerator Platform (D-DAP). Both initiatives aim to shift pharmaceutical development to a ‘digital first’ approach, minimizing non-viable drug candidate formulations and anticipating manufacturing bottlenecks early in the process.

“Science is evolving, and so is the CCDC. Our CSD-Particle suite, released in 2022, for the study of the surface properties and the mechanical properties of crystalline materials, is becoming increasingly essential to save valuable time, costs, and resources. Used primarily, but by no means limited to, drug discovery and delivery, I’m delighted to see CSD-Particle-based research now being published in the scientific literature,” said Dr Jürgen Harter, CCDC CEO.

 



Journal

Crystal Growth & Design

DOI

10.1021/acs.cgd.4c00259

Share12Tweet7Share2ShareShareShare1

Related Posts

Rice membrane extracts lithium from brine faster and with reduced waste

Rice membrane extracts lithium from brine faster and with reduced waste

October 2, 2025
blank

Pseudokinases Drive Peptide Cyclization via Thioether Crosslinking

October 2, 2025

MIT Researchers Develop Simple Formula to Enhance Fast-Charging, Durable Batteries

October 2, 2025

Registration and Scientific Program Now Open for Upcoming Plasma Physics Conference

October 2, 2025

POPULAR NEWS

  • New Study Reveals the Science Behind Exercise and Weight Loss

    New Study Reveals the Science Behind Exercise and Weight Loss

    92 shares
    Share 37 Tweet 23
  • New Study Indicates Children’s Risk of Long COVID Could Double Following a Second Infection – The Lancet Infectious Diseases

    85 shares
    Share 34 Tweet 21
  • Physicists Develop Visible Time Crystal for the First Time

    74 shares
    Share 30 Tweet 19
  • How Donor Human Milk Storage Impacts Gut Health in Preemies

    65 shares
    Share 26 Tweet 16

About

We bring you the latest biotechnology news from best research centers and universities around the world. Check our website.

Follow us

Recent News

Scientists Harness Ultrasound Holograms to Modulate Brain Networks

Sleep Patterns in U.S. Kids with Neurodiversity

Bone Age in Diverse Children with Premature Adrenarche

Subscribe to Blog via Email

Enter your email address to subscribe to this blog and receive notifications of new posts by email.

Join 60 other subscribers
  • Contact Us

Bioengineer.org © Copyright 2023 All Rights Reserved.

Welcome Back!

Login to your account below

Forgotten Password?

Retrieve your password

Please enter your username or email address to reset your password.

Log In
No Result
View All Result
  • Homepages
    • Home Page 1
    • Home Page 2
  • News
  • National
  • Business
  • Health
  • Lifestyle
  • Science

Bioengineer.org © Copyright 2023 All Rights Reserved.