Robby Vroemans

Nature, Published online: 19 October 2022; doi:10.1038/d41586-022-03283-6

A novel visible-light-induced reaction for the reductive generation of synthetically important α-amino radicals proceeds via a π-π stacked ionic complex. Multiple π interactions stabilize the reactive intermediate, and neither a photocatalyst nor an initiator are required. This synthetic pathway enabled the synthesis of complex functionalized amines in high yield.

Abstract

π-π stacking and ion-pairing interactions induced the generation of α-amino radicals under the irradiation of visible light without the requirement of an expensive photocatalyst. This strategy enabled the construction of functionalized amines via three-component coupling reactions with broad scope (we report >50 examples with an up to 90 % yield). This synthetic pathway also delivered complex functionalized amines with a very high yield. Quantum chemistry Density Functional Theory (DFT) calculations identified π-π stacked ionic complexes; time-dependent DFT was employed to simulate the absorption spectra, and nudged elastic band (NEB) methodology provided a possible interaction/reaction picture of the selected species.

Molecules, Vol. 27, Pages 6606: Deep Eutectic Solvents: Alternative Solvents for Biomass-Based Waste Valorization

Molecules doi: 10.3390/molecules27196606

Authors: Giovanni P. Rachiero Paula Berton Julia Shamshina

Innovative technologies can transform what are now considered “waste streams” into feedstocks for a range of products. Indeed, the use of biomass as a source of biopolymers and chemicals currently has a consolidated economic dimension, with well-developed and regulated markets, in which the evaluation of the manufacturing processes relies on specific criteria such as purity and yield, and respects defined regulatory parameters for the process safety. In this context, ionic liquids and deep eutectic solvents have been proposed as environmentally friendly solvents for applications related to biomass waste valorization. This mini-review draws attention to some recent advancements in the use of a series of new-solvent technologies, with an emphasis on deep eutectic solvents (DESs) as key players in the development of new processes for biomass waste valorization. This work aims to highlight the role and importance of DESs in the following three strategic areas: chitin recovery from biomass and isolation of valuable chemicals and biofuels from biomass waste streams.

Nature, Published online: 03 October 2022; doi:10.1038/d41586-022-03085-w

Publication date: Available online 3 October 2022

Source: Chem

Author(s): Xue Han, Sihai Yang

Big (Bio)Chemical Data Mining: Large and complex chemical data sets generated by modern analytical technologies have led to the so-called Big (Bio)Chemical Data era. These data sets can be produced using modern analytical instruments such as multi-dimensional chromatography, high-resolution and multi-dimensional spectroscopy, hyperspectral imaging and DNA/RNA microarrays. Chemometric methods have shown potential to analyze BBCD especially in omics sciences and chemical toxicology/drug discovery.

Abstract

This Review summarizes how big (bio)chemical data (BBCD) can be analyzed with multivariate chemometric methods and highlights some of the important challenges faced by modern analytical researches. Here, the potential of chemometric methods to solve BBCD problems that are being encountered in chromatographic, spectroscopic and hyperspectral imaging measurements will be discussed, with an emphasis on their applications to omics sciences. In addition, insights and perspectives on how to address the analysis of BBCD are provided along with a discussion of the procedures necessary to obtain more reliable qualitative and quantitative results. In this Review, the importance of “big data” and of their relevance to (bio)chemistry are first discussed. Thereafter, analytical tools which can produce BBCD are presented as well as the theoretical background of chemometric methods and their limitations when they are applied to BBCD. Finally, the importance of chemometric methods for the analysis of BBCD in different chemical disciplines is highlighted with some examples. In this work, we have tried to cover many of the current applications of big data analysis in the (bio)chemistry field.