ACS Central Science最新文献

Advances have made modifying natural products possible, but chemists have just scratched the surface.

Phosphomethylpyrimidine synthase (ThiC) catalyzes the conversion of AIR to the thiamin pyrimidine HMP-P. This reaction is the most complex enzyme-catalyzed radical cascade identified to date, and the detailed mechanism has remained elusive. In this paper, we describe the trapping of five new intermediates that provide snapshots of the ThiC reaction coordinate and enable the formulation of a revised mechanism for the ThiC-catalyzed reaction.

The mechanism of thiamin pyrimidine formation is the last major unsolved problem in thiamin biosynthesis. Here, we describe the trapping of five intermediates, providing snapshots of the reaction coordinate for this complex radical rearrangement.

Fluorogenic immunophilin probes obtained by site-specific BODIPY labeling at tyrosine hold promise for immunosuppressant monitoring in biosamples.

Leroy Cronin and his team showcase experiments to measure molecular complexity using spectroscopic techniques, applicable in drug discovery, characterizing molecule evolution, and life detection.

Three laboratories team up to “flip the switch” and turn a CB₂R agonist into a fluorescent CB₂R inverse agonist.

Until now, no fast, low-cost, and direct technique exists to identify and detect protein/peptide enantiomers, because their mass and charge are identical. They are essential since l- and d-protein enantiomers have different biological activities due to their unique conformations. Enantiomers have potential for diagnostic purposes for several diseases or normal bodily functions but have yet to be utilized. This work uses an aerolysin nanopore and electrical detection to identify vasopressin enantiomers, l-AVP and d-AVP, associated with different biological processes and pathologies. We show their identification according to their conformations, in either native or reducing conditions, using their specific electrical signature. To improve their identification, we used a principal component analysis approach to define the most relevant electrical parameters for their identification. Finally, we used the Monte Carlo prediction to assign each event type to a specific l- or d-AVP enantiomer.

An aerolysin nanopore allows the identification of vasopressin enantiomers as well as their conformation. A Monte Carlo prediction assigns each event type to a specific l- or d-AVP enantiomer.

As the field floods with new powders, gels, and drinks, preference still drives athletes' choices for race day.

In this study, an innovative approach is presented in the field of engineered plant living materials (EPLMs), leveraging a sophisticated interplay between synthetic biology and engineering. We detail a 3D bioprinting technique for the precise spatial patterning and genetic transformation of the tobacco BY-2 cell line within custom-engineered granular hydrogel scaffolds. Our methodology involves the integration of biocompatible hydrogel microparticles (HMPs) primed for 3D bioprinting with Agrobacterium tumefaciens capable of plant cell transfection, serving as the backbone for the simultaneous growth and transformation of tobacco BY-2 cells. This system facilitates the concurrent growth and genetic modification of tobacco BY-2 cells within our specially designed scaffolds. These scaffolds enable the cells to develop into predefined patterns while remaining conducive to the uptake of exogenous DNA. We showcase the versatility of this technology by fabricating EPLMs with unique structural and functional properties, exemplified by EPLMs exhibiting distinct pigmentation patterns. These patterns are achieved through the integration of the betalain biosynthetic pathway into tobacco BY-2 cells. Overall, our study represents a groundbreaking shift in the convergence of materials science and plant synthetic biology, offering promising avenues for the evolution of sustainable, adaptive, and responsive living material systems.

Utilizing Nicotiana tabacum BY-2 cells within custom hydrogel scaffolds, this research demonstrates the creation of genetically modified engineered plant living materials with specific geometries and functionalities. Innovative granular hydrogel microparticles facilitate cell growth and DNA transformation, leading to those materials with unique pigmentation and fluorescent patterns. This advancement opens new avenues in bioengineering, offering diverse applications in bioengineering and material science.

Direct air capture (DAC) is an emerging technology to aid decarbonization. Exploring metal−organic frameworks (MOFs) for DAC needs to encompass vast numbers of materials in the presence of humid CO₂. We present a data set with over 38 million quantum chemistry calculations on thousands of MOFs containing CO₂ and/or H₂O, enabling machine learning models to accelerate development of MOFs for DAC.

Direct air capture (DAC) of CO₂ with porous adsorbents such as metal−organic frameworks (MOFs) has the potential to aid large-scale decarbonization. Previous screening of MOFs for DAC relied on empirical force fields and ignored adsorbed H₂O and MOF deformation. We performed quantum chemistry calculations overcoming these restrictions for thousands of MOFs. The resulting data enable efficient descriptions using machine learning.