NC State Chemical and Biomolecular Engineering’s Post

Hear from the world's expert in the analysis of #cyanide and its #metabolites. Dr. Brian Logue, recently appointed head of the Chemistry, Biochemistry, and Physics department at South Dakota State University, answers some Q&A in Wiley Analytical Science's recent news. The department has expanded into #toxic industrial chemicals, #agrochemicals, and chemicals of #environmental concern, and are developing innovative methods to assess these compounds in blood, urine, and tissues. Explore the Q&A for more on #spectrometry challenges, daily activities, and Dr. Logue's time in the army. 🥤💥 Plus... Learn what the following picture has to do with innovative detection methods using #LCMSMS and #GCMS. 🥤💥 Full article: https://lnkd.in/gUX39aWK Author: Jon Evans.

#DICPResearchNews  Prof. WANG Fangjun's group developed a time-resolved native mass spectrometry (TR-nMS) strategy coupled with ultraviolet photodissociation (UVPD) analysis. This strategy can interrogate the mutation-induced subtle alterations in protein stability and structure unfolding dynamics.  This study was published in the Journal of the American Chemical Society. Learn it more: https://lnkd.in/eV9dK5ya

Halogen radicals in action: have a look at our recent work! Many congratulations to Monica Oliva for publishing her final PhD work. Thanks to Serena Pillitteri, Johannes Schoergenhumer, Riku Saito and Erik Van der Eycken for this wonderful collaboration. Bromine Radical Release from Nickel-Complex Facilitates the Activation of Alkyl Boronic Acids: A Boron Selective Suzuki-Miyaura Cross Coupling - now published in Chemical Science https://lnkd.in/etV_kgn8

Isn't it amazing how structurally similar enzymes can drive so many different reactions?! In our recent paper, featured in the cover of the latest Journal of Physical Chemistry B issue, we explore the mechanism of a sugar beet CYP used in novel, sustainable methods for the biosynthesis of natural opioid painkillers. 🧬 What’s the secret to CYPs' catalytic power? It lies in their heme group, which binds molecular oxygen and converts it into a highly reactive iron-oxo species. This intermediate is key for initiating a wide range of oxidation reactions. Additionally, CYPs can access multiple electronic states, allowing them to efficiently shift reaction equilibria towards the desired products. How far can we push CYPs’ capabilities, and what new applications might emerge as we continue to unlock their secrets? You can check the open access publcation in the following link: https://lnkd.in/dRhzBS3N ACS Publications Fundação para a Ciência e a Tecnologia (FCT) Laboratório Associado para a Química Verde (LAQV/REQUIMTE) #computationalchemistry #molecularmodeling #biosynthesis

Our EVOkit was utilized to catalyze the reductive kinetic resolution reaction for the enantioenrichment of organoperoxides.  While unspecific peroxygenases (UPOs) have been extensively used as powerful oxyfunctionalizing catalyst, this research is the first example of using UPOs in the reduction of organoperoxides. Interestingly, one UPO from our EVOkit showed totally reversed stereoselectivity, highlighting again great diversity of our UPOs collection. In general, UPOs displayed robust catalytic activity in the kinetic resolution reactions of model substrate with high turnover numbers. This exciting research was published recently in Angewandte Chemie. https://lnkd.in/d4id8DAQ 

How can we turn HTS lemons into lemonade? Check out our new work (with talented undergraduates Thu Nguyen and Chloris Li-Ma) in ACS Chem Bio using HTS to identify turn-on fluorescent dyes to characterize protein state. https://lnkd.in/gnRtNHRR

Thanks! Momentum conservation in general is practically absent in biological communication models. This is no misdemeanor, but a serious violation of nature’s principles (intentionally or not). It hast to be expected that is creates pictures of the mechanisms of life, just as absurd as those created in the absence of energy conservation. See also my comment here: https://lnkd.in/ew8XCgj9

It's great to see how ORCA (FACCTs & Max-Planck-Institut für Kohlenforschung) enables the investigation of complex reaction mechanisms. The robust TS search with the nudged elastic band (NEB) method in ORCA is particularly helpful here. Check out the NEB tutorial on our homepage: https://lnkd.in/eVgn_SJW #CompChem

It's great to see how ORCA (FACCTs) enables the investigation of complex reaction mechanisms. The robust TS search with the nudged elastic band (NEB) method in ORCA is particularly helpful here. Check out the NEB tutorial on our homepage: https://lnkd.in/eQzsSG5x #CompChem https://lnkd.in/eQzsSG5x

This JACS article represents the culmination of synthetic and mechanistic work from the last two years of my graduate studies focused on enabling aerobic oxidation chemistry. Here, we demonstrated the insertion of molecular oxygen into a Au(III)–H bond that proceeds by an autoaccelerated radical chain mechanism. Many thanks to Professor Karen Goldberg and Yotam Ardon for our many discussions and help getting this finalized!