Attending both the United Nations Decade of Education for Sustainable Development (2005–2014) and the United Nations 2030 Agenda for Sustainable Development, this review is presented, bearing in mind that green chemistry is essential to contribute to sustainability. This work has compiled all the information relating to green chemistry metrics, so that stakeholders can select an appropriate model, under the Green Chemistry Protocol, to evaluate how much green is a process. The review was organized considering the following convenient sections: the mass valuation, the recognition of the human health and environmental impact, metrics using computational programs (software and spreadsheets), and finally global metrics. This review was developed by consulting the principal databases, since the appearance of the first green chemistry textbook in 1998. A massive number of references were attained involving the keywords proposed below, with six languages observed, highlighted by the English language. It is important to emphasize that the 12 Principles of Green Chemistry are conceptual and offer little quantitative information. In addition, almost all the reported metric green propositions do not consider the 12 principles and few papers offer how to obtain an appropriate evaluation about the greenness of a research. In this sense, it is convenient to note that only in the Spanish literature are there two metrics that consider all the principles. Finally, to our knowledge, and after a deep search in the literature, it is the first review that covers the different features of green chemistry: mass, environment/human health. and in some cases, the use of computational programs.

Aflatoxin B₁ (AFB₁) exhibits the most potent mutagenic and carcinogenic activity among aflatoxins. For this reason, AFB₁ is recognized as a human group 1 carcinogen by the International Agency of Research on Cancer. Consequently, it is essential to determine its properties and behavior in different chemical systems. The chemical properties of AFB₁ can be explored using computational chemistry, which has been employed complementarily to experimental investigations. The present review includes in silico studies (semiempirical, Hartree–Fock, DFT, molecular docking, and molecular dynamics) conducted from the first computational study in 1974 to the present (2022). This work was performed, considering the following groups: (a) molecular properties of AFB₁ (structural, energy, solvent effects, ground and the excited state, atomic charges, among others); (b) theoretical investigations of AFB₁ (degradation, quantification, reactivity, among others); (c) molecular interactions with inorganic compounds (Ag⁺, Zn²⁺, and Mg²⁺); (d) molecular interactions with environmentally compounds (clays); and (e) molecular interactions with biological compounds (DNA, enzymes, cyclodextrins, glucans, among others). Accordingly, in this work, we provide to the stakeholder the knowledge of toxicity of types of AFB₁-derivatives, the structure–activity relationships manifested by the bonds between AFB₁ and DNA or proteins, and the types of strategies that have been employed to quantify, detect, and eliminate the AFB₁ molecule.

This review provides a comprehensive overview of where infrared irradiation has been employed, mainly as regards activating green mode for natural products extractions, as well as to favor a reaction, highlighting its actual importance. It is also underlined that infrared irradiation heating has been around for a long time; however, only in the last eighteen years have many of its advantages been applied to satisfy a wide range of chemical processes, natural products extractions, and for the promotion of many kinds of reactions. In addition, it is brought to light that near infrared irradiation is more efficient than middle and far infrared irradiations, being easily controllable and with the quality of a fast responding heat source. Thus, the main objective of this review is to offer infrared irradiation as an alternative clean energy source to activate reactions, in addition to favor the selective extraction of natural products, all of which is within the Green Chemistry protocol. Some recent results from our laboratory are also included.

The most environmentally friendly protocol for obtaining mesoporous SiO₂–TiO₂catalysts has been sought.

A green approach for the synthesis of a set of ten 4-aryl substituted-5-alcoxy carbonyl-6-methyl-3,4-dihydro-2(1H)-pyridones using Meldrum’s acid has been devised, the absence of solvent and the activation with infrared irradiation in addition to a multicomponent protocol are the main reaction conditions. The transformations proceeded with moderated yields (50–75%) with a reasonable reaction rate (3 h). It is worth noting that two novel molecules of the new class of the bis-3,4-dihydropyridones were also obtained. In addition, a comparison without the use of infrared irradiation was performed.

Multicomponent reactions are excellent methods that meet the requirements of green chemistry, by reducing the number of steps, and consequently reducing purification requirements. Accordingly, in this work, 11 novel hybrid-boron-containing molecules, namely eight 1,4-dihydropyridines and three 3,4-dihydropyrimidinones, derived from formylphenylboronic acids (ortho, meta and para), were obtained using a green approach, involving H-4CR and B-3CR practices, in the presence of ethanol, which is a green solvent, and using three comparatively different modes of activation (mantle heating, yield 3%–7% in 24 h, Infrared Radiation (IR) irradiation, yield 12%–17% in 12 h, and microwave irradiation, yield 18%–80%, requiring very low reaction times of 0.25–0.33 h). In addition, as a green-approach is offered, a convenient analysis, of the 12 green chemistry principles for the overall procedure was performed. Finally, since all the products are new, characterizations were carried out using common analytic procedures (¹H, ¹¹B, and ¹³C NMR, FAB⁺MS, HRMS, and IR). The accurate mass data of unexpected ions related to interactions between thioglycerol and the expected products, in the FAB⁺-mode, enabled unequivocal characterization of the target molecules.