Chimia最新文献

A Failure Modes and Effects Analysis (FMEA) risk assessment was conducted to evaluate and document the criticality of process parameters and material attributes involved in a Pseudomonas aeruginosa phage production process. This assessment was carried out following the principles of Quality by Design (QbD) as outlined by the International Council for Harmonisation (ICH) of Technical Requirements for Pharmaceuticals for Human Use. By systematically identifying and controlling critical factors, this approach contributes to the development of a more robust and reproducible phage production process, ultimately enhancing process efficiency and product quality.

Self-driving laboratories (SDLs) are reshaping scientific discovery by combining robotics, artificial intelligence (AI), and data science to automate the full Design-Make-Test-Analyze (DMTA) cycle. This review highlights how SDLs address the inefficiencies of traditional trial-and-error methods through intelligent, autonomous experimentation. We explore key advances in AI, automation, and data infrastructure, as well as the remaining technical challenges. Applications across organic synthesis, materials science, and biotechnology (e.g. such as catalytic reaction optimization, solid-state synthesis, and protein engineering) demonstrate their transformative potential. A recurring theme is the role of SDLs in promoting sustainability by miniaturizing reactions and maximizing sample efficiency through AI and machine learning. Finally, we discuss the requirements for broader adoption, including robust hardware, interoperable software, and high-quality datasets, positioning SDLs as essential tools for next-generation sustainable research.

Quinone motifs play a crucial role in a wide range of living organisms, including bacteria, fungi, higher plants, and some animals. They are also present in numerous natural pigments. This review summarizes recent advances in the direct functionalization of quinones using green methods. Green synthesis of quinones employs environmentally sustainable strategies such as solvent-free microwave-assisted techniques, photoredox catalysis, and electrochemical oxidation, etc. These approaches aim to minimize hazardous waste generation and energy consumption, offering a cleaner alternative to conventional synthetic methods.

Achieving 100% atom economy in an organic transformation is a challenging task but it is always desirable in the context of green chemistry. Difunctionalization of alkynes using a bifunctional reagent is a useful strategy to achieve 100% atom economy, however, the challenge is to control the regio- and stereoselectivity of the reaction. In this article, we discuss the recent advances in developing 100% atom economic, highly regio- and stereoselective halo-chalcogenation and chlorosulfonylation strategies with alkynes for the green and sustainable synthesis of stereodefined tri- or tetrasubstituted alkenes, and its application in accessing valuable molecules including a marketed drug in a green and sustainable manner. The green chemistry metrics are presented to highlight the greenness of some of these protocols.

Knowledge of the potential degradation products of active pharmaceutical ingredients (APIs) is of major interest for the development and approval of new drugs. Therefore, methodologies for the time-efficient and precise prediction of degradation products and pathways are of great importance. Traditional degradation assessments typically involve solution-based forced degradations under acidic, basic, thermal, or photolytic conditions. However, such conditions often fail to accurately replicate degradation pathways relevant to solid-state formulations. A promising addition to the established solvent-based approaches are forced degradation processes in the solid-state using mechanochemistry. The newly developed methodologies enable a time-efficient and accurate simulation of degradation pathways under mild reaction conditions in the solid-state. Herein, the general principles of forced mechanochemical degradations will be discussed on the basis of published case studies involving marketed drugs.

This review examines the innovation journeys, developments, and properties of two ambimobile crop protection compounds containing a 2-aryl-1,3-dione pharmacophoric motif: pinoxaden for post-emergence broad-spectrum grass weed control in cereals, and spiropidion for protecting multiple crops against damaging and difficult to control piercing and sucking pests. Both active ingredients function as propesticides, hydrolyzing in planta to release their bioactive aryldione forms, which inhibit acetyl-CoA carboxylase and disrupt fatty acid metabolism. As weak acids with specific physicochemical properties, these aryl cyclic diones demonstrate ambimobility in plants, enabling them to access both long-distance translocation pathways in plant vasculature, xylem, and phloem. This systemic translocation is crucial for both herbicidal and insecticidal applications.

Municipal wastewater treatment plants are important contributors to the discharge of micropollutants to the aquatic environment. Therefore, in Switzerland it has been decided to treat the water at these point sources to reduce the discharge of micropollutants from municipal wastewater effluents. A team of scientists at Eawag has evaluated treatment options, which need to be readily available, easily applicable, and cheap. Based on a rigorous assessment, activated carbon-based processes and ozonation were selected. In this paper the focus is on ozonation, and the different aspects of its application are discussed, including kinetics and mechanisms for ozone reactions with micropollutants and matrix components, formation, and fate of transformation products in biological post-filtration and toxicological aspects. Finally, upgrading of ozonation is described including outreach of this approach to other countries.

Hydrogen (H2) is increasingly recognized as a key candidate to replace fossil fuels due to its high energy density, zero-carbon combustion, and compatibility with fuel cell technologies. Fuel cells offer an efficient means to convert hydrogen into electricity, with only water as a byproduct, making them a cornerstone for the energy transition. However, challenges remain in the widespread adoption of hydrogen, including production methods (green, blue, and grey hydrogen), transportation, and associated losses during fuel cell operation. A critical issue is hydrogen purge losses, where unreacted H2 is vented to maintain fuel cell efficiency and durability. This article explores the fundamentals of H2 fuel cells, purge losses, and the environmental implications. Potential solutions are examined, such as catalytic burning and recirculation systems, to minimize the hydrogen losses in fuel cell strategies. An innovative hydrogen recovery membrane, the SEPARATIC-H2, developed at the University of Fribourg, has been showcased to enhance fuel cell efficiency while reducing H2 waste. By addressing these challenges, hydrogen can reach its potential, accelerating the transition toward a sustainable, low-carbon future.

Commercial manufacturing processes in the pharmaceutical industry need to address numerous goals, ranging from cost effectiveness over process safety to environmental sustainability. While the design of the synthetic route may commonly be considered the centerpiece of chemical process development, only the combination with innovative technologies at scale and in-depth process understanding can unlock the full potential of a synthetic route. The development of a second-generation synthesis of sacubitril, one of the constituent active pharmaceutical ingredients of LCZ696, serves as an example to display how synthesis design can be successfully combined with (bio)catalysis and thorough process development to achieve superior results. In addition, the case at hand highlights the multidisciplinary and team-focused nature of chemical process development.