Data Analysis, Statistics, and Chemometrics

Artificial intelligence (AI) is reshaping analytical chemistry by enhancing data analysis and optimizing experimental methods. This study explores AI's advancements, challenges, and future directions in the field, emphasizing its transformative potential and the need for ethical considerations for separation science and spectroscopy.

LCGC International spoke with Shawn Anderson, Associate Vice President of Digital Lab Innovations at Agilent Technologies; Marco Kleine, Head of the Informatics Department at Shimadzu Europa GmbH; Trish Meek, Senior Director, Connected Science, Waters Corporation and Todor Petrov, Senior Director, QA/QC, Waters Corporation; and Crystal Welch, Product Marketing Manager at Thermo Fisher Scientific about the latest trends in data handling.

Scientists from the University of Turin, Italy have learned how to combine their complementary competencies in analytical chemistry and big data analytics to achieve significant advances in food science and health.

In this installment, we establish why peak integration still poses challenges, and at the same time, see some of the computational techniques in action that we learn to use ourselves in future installments.

In this edition of "Inside the Laboratory," John A. McLean, the dean of graduate education and research at the College of Arts & Science of Vanderbilt University, discusses his laboratory's recent work regarding ion mobility-mass spectrometry (IM-MS) and how it can be applied in various fields.

The 26th Norwegian Symposium on Chromatography was held 21–23 January 2024. The symposium has strong traditions in the Norwegian separation science community, serving as a forum for excellent scientific talks, networking, and social events.

The purpose of this short tutorial article is to review the terms and official nomenclatures for size-exclusion separations and to provide some guidance and recommendations for practicing chromatographers. The interconversion between the different metrics is explained and some examples are presented.

To combat fraudulent sales of low-aged ginseng disguised as high-aged ginseng, scientists from Shanghai University of Traditional Chinese Medicine created machine learning models to predict the ages of ginseng samples.

At the 2023 Gulf Coast Conference, LCGC spoke with John Wasson of Wasson-ECE Instrumentation, who discussed the process of retrieving high-quality, real-time data from chemical processing plant streams. This interview was one of four conducted live at GCC 2023.

“Questions of Quality” is 30 years old! What, if anything, has changed in chromatography laboratories over that time?

Are you interested by ChatGPT's vast potential? Or are you getting tired of reading or hearing about ChatGPT? If the latter, this blog post might give you some tips and tricks on taking advantage of ChatGPT while avoiding its application beyond its intended scope.

HRMS is widely used in chromatography for analyzing complex mixtures. However, chromatographers should take note of the exponentially larger data set that HRMS provides before deciding whether to use the technique for the analysis they are conducting.

On a fundamental level, equilibrium and diffusion define chemical separations.

Researchers have utilized computational fluid dynamics (CFD) simulations to optimize the design of membrane chromatography devices, enhancing fluid flow uniformity and separation efficiency.

At HPLC 2023, Hyukju Kwon hosted a lecture on the roles LC–MS and artificial intelligence can have in autonomous material discovery.

At HPLC 2023, Kelly Zhang gave a lecture on how machine learning can help further our understanding of the characterization of lipid nanoparticles.

At HPLC 2023, Dr. Joachim Richert held a plenary lecture about what steps need to be taken to reach true laboratory digitalization.

Adjustable polyacrylamide stationary phases developed by researchers enhance separation performance in liquid chromatography, according to a recent publication. The study demonstrates the synthesis of vinyl modified silica and the successful preparation of polyacrylamide modified silica (PAM-SIL) stationary phases, allowing for fine control of separation performance.

How physical and chemical characteristics are related to dirt in the GC system.

In this LCGC Blog, Tony Taylor performs various experiments with ChatGPT to test how useful the AI technology can be in aiding chromatographers' work.

A new publication introduces a groundbreaking automated system for high-throughput mass spectrometry analysis, reshaping the future of biotherapeutic characterization.

Innovative gas chromatography (GC) study combines computer vision and chromatographic fingerprinting to uncover diagnostic signatures in food volatilome.

A researcher has derived an expression for peak width in liquid chromatography with exponential retention and linear program preceded by an isocratic hold, providing valuable insights for enhancing chromatographic separations.

At Pittcon 2023, LCGC spoke with Jim Grinias of Rowan University. This segment is the full-length version of the interview that was conducted at the conference.

The workshop will take place 28–29 June 2023 in Liège, Belgium.

A newly published review reveals insights into the history of capillary electrophoresis, from its development to its current state-of-the-art applications, through a comprehensive bibliometric analysis of publications between 1980 and 2021.

A desorption electrospray ionization mass spectrometry (DESI-MS) method has been developed to effectively analyze historical synthetic dye samples.

A new study tested different solvents and buffer additives for ion mobility spectrometry to test their impact on results.

Scientists have discovered that combining imaging mass spectrometry and microscopy can enhance molecular visualization.

Separation science will be at the core of the artificial intelligence (AI) revolution in science.