In the Beginner’s Guide to Mass Spectrometry blog series, you will have learned about the steps involved in MS—ionization, ion separation by a mass analyzer, detection, deflection, and data processing. Central to this process are the components that separate ions based on their mass-to-charge ratio—mass analyzers. The choice of mass analyzer can have a significant impact on the resolution, accuracy, and speed of the analysis; making it crucial for scientists to understand the various types available and their respective advantages.   In this final installment, we will delve into the diff ..read more

NMR Data Has More to Offer Than Single 2D Structural Analysis Nuclear Magnetic Resonance (NMR) spectroscopy is well known for its ability to provide detailed qualitative structural information. However, its utility extends far beyond qualitative analysis of single structures. As a non-destructive method to probe both intermolecular and intramolecular properties, NMR stands apart from other analytical techniques. Furthermore, NMR data contains information useful in a diversity of applications, ranging from determining sample concentrations or purity to providing intricate details of complex mix ..read more

Hectoramide B The tropical marine cyanobacterium Moorena producens JHB is known for its abundant secondary metabolites, which hold promise for biomedical applications. While previous investigations uncovered some unique compounds from this strain, genomic analysis indicates the presence of numerous undiscovered biosynthetic gene clusters. In an effort to promote the synthesis of novel compounds, the strain was co-cultured with Candida albicans by Gerwick and coworkers [1]. As a result, the authors observed the increased production of a new compound that was characterized as hectoramide B (1 ..read more

More than 70% of Scientists Are Not Familiar with FAIR Data A recent survey[i] found that 73% of scientists are not familiar with the concept of FAIR data. As FAIR data guidelines are of growing interest for data management in modern R&D by informatics groups, data scientists, and R&D leaders, it is concerning that it has yet to be understood by everyone. To help deepen the understanding of FAIR data principles, here we summarize the: Goals of FAIR data Benefits to be gained for scientists and their organizations Priority elements for successful implementation of the FAIR data guideli ..read more

The Role of High Throughput Experimentation (HTE) in Green Synthesis Sustainability is a growing concern in all aspects of life. Whether it is carbon emissions, plastic pollution, or deforestation, there is an endless list of environmental problems. While everyone should be mindful of their ecological footprint, scientists have a unique role in finding solutions through research and developing sustainable industrial processes. One area where chemists can have a profound impact is the selection of catalysts. Heavy metals, such as palladium, platinum, and rhodium, are efficient catalysts that ha ..read more

Janthinolide A A new 2,5-piperazinedione derivative, janthinolide A (1), was obtained from the fermentation broths of the endophytic fungus Penicillium janthinellum [1]. The latter was isolated from a soft coral, Dendronephthya sp. The structure of janthinolide A was established using MS spectrometry in combination with 1D and 2D NMR data. The molecular formula of janthinolide A (1) was determined to be C23H32N2O7 on the basis of HR-FAB-MS (m/z 449.2281, calcd 449.2282). The structure of 1 together with 13C NMR chemical shift assignments as suggested by the authors [1] is presented below: 1 H ..read more

Mythbusting Software Validation Every year, we speak with hundreds of scientists working in validated environments. The world over, we see the same compliance misconceptions arise. When it comes to 21 CFR Part 11, many scientists’ experience with software deployment falls into two categories: Software was installed alongside new hardware (e.g., a new LC/MS instrument comes with a CDS) Informatics systems were integrated into the entire development workflow to directly submit regulatory reports and data (e.g., LIMS) From experiences with these specific types of software, certain myths develop ..read more

A Digital Twin for Analysis Workflows As one of the leading manufacturers and distributors of certified reference materials in the world, MilliporeSigma, the U.S. and Canada Life Science business of Merck KGaA, Darmstadt, Germany has recognized the growing need for digital solutions in this area. They have taken the first step towards meeting the analytical chemist’s need for digitalization with the release of their digital reference material platform, ChemisTwin. ChemisTwin is a cloud-based platform which provides scientists in quality control labs with an automated structure verification (AS ..read more

ISO10993:18-2020—Simplifying the Chemical Characterization of Medical Device Materials The presence of extractables and leachables (E&Ls) in medical devices after the manufacturing, packaging, or storage process is unavoidable. E&L analysis is integral to safeguard the safety of medical products and addresses the fundamental questions “What substance(s) may be released from drug packaging or medical devices?” and “Will it cause harm to patients?” E&L studies require careful design and risk management and must be scientifically justified, considering factors such as device class, ap ..read more

ISO10993:18-2020—Simplify the Chemical Characterization of Medical Device Materials The presence of extractables and leachables (E&Ls) in medical devices after the manufacturing, packaging, or storage process is unavoidable. E&L analysis is integral to safeguard the safety of medical products and addresses the fundamental questions “What substance(s) may be released from drug packaging or medical devices?” and “Will it cause harm to patients?” E&L studies require careful design and risk management and must be scientifically justified, considering factors such as device class, appli ..read more