Correction: Threading of three rings on two stations: a convergent approach to [4]rotaxane

Correction for ‘Threading of three rings on two stations: a convergent approach to [4]rotaxane’ by Yidan Zhou et al., Chem. Commun., 2021, 57, 13506–13509, DOI: 10.1039/D1CC05501A.

A Convergent Approach to the Viability of the Dynamical Systems: The Cognitive Value of Complexity

The integration of information and industrial technologies, digitalization and differentiation of sciences are accompanied by an increase in various types of complexity. This limits the capabilities of computer modelling, data mining, and predictive analytics. The increasing cognitive complexity of information flows and their diversity creates problems of safety, reliability and stability of the functioning of a complex dynamic system in extreme conditions. Here we show the possibility of cognitive visualization of signals of different nature through their geometrization in the form of a topological 3D model of functioning. Its projections are spatio-temporal signatures, the configurations of which reflect the dynamic, energetic and structural features of the model. An increase in the number of components of the signature configuration and its area under external influence indicates an increase in structural and functional complexity. Therefore, the signal structure can be analyzed in real time using complementary probabilistic and deterministic methods. A set of tools for the synthesis and analysis of 3D models has innovative potential for monitoring the functioning of elements of complex dynamic systems, risk management and predictive analytics.

Convergent Total Synthesis of (+)-Calcipotriol: A Scalable, Modular Approach to Vitamin D Analogs

Vitamin D is a group of seco-steroids with diverse bioactivities. An enormous amount of effort was expended by medicinal chemists to search for Vitamin D analogs that could exhibit pro-differentiating and antiproliferative effects on normal and cancer cells as well as immunomodulatory effects without causing hypercalcemia. A convergent approach for the total synthesis of calcipotriol (brand name: Dovonex), a proven Vitamin D analog used for the treatment of psoriasis, and medicinally relevant synthetic analogs is described. Given the rich synthetic history of the Vitamin D family, a complete novel approach towards both the A-ring and CD-ring is reported. From a retrosynthetic standpoint, hidden symmetry within the decorated A-ring is disclosed, which allowed for scalable quantities of this advanced intermediate. In addition, a radical retrosynthetic approach is described, which highlights an electrochemical reductive coupling as well as an intramolecular hydrogen atom transfer (HAT)-Giese addition to establish the 6,5-trans-carbon skeleton found in the Vitamin D family. Lastly, a late-stage decarboxylative cross-coupling approach allowed for the facile preparation of various C20-arylated derivatives which show promising biological activity in an early bioassay.

No-boundary thinking: a viable solution to ethical data-driven AI in precision medicine

Today Artificial Intelligence (AI) supports difficult decisions about policy, health, and our personal lives. The AI algorithms we develop and deploy to make sense of information, are informed by data, and based on models that capture and use pertinent details of the population or phenomenon being analyzed. For any application area, more importantly in precision medicine which directly impacts human lives, the data upon which algorithms are run must be procured, cleaned, and organized well to assure reliable and interpretable results, and to assure that they do not perpetrate or amplify human prejudices. This must be done without violating basic assumptions of the algorithms in use. Algorithmic results need to be clearly communicated to stakeholders and domain experts to enable sound conclusions. Our position is that AI holds great promise for supporting precision medicine, but we need to move forward with great care, with consideration for possible ethical implications. We make the case that a no-boundary or convergent approach is essential to support sound and ethical decisions. No-boundary thinking supports problem definition and solving with teams of experts possessing diverse perspectives. When dealing with AI and the data needed to use AI, there is a spectrum of activities that needs the attention of a no-boundary team. This is necessary if we are to draw viable conclusions and develop actions and policies based on the AI, the data, and the scientific foundations of the domain in question.

Transdisciplinary convergent approach - human factor

The article is devoted to the systemic problems of the study of the human factor, which are associated with the cognitive aspects of human-computer interaction. The rapid development of mathematical modeling has created systemic problems of safety, control and forecasting of the functioning of dynamic transport systems in difficult conditions. The accumulation of latent contradictions and interdisciplinary conflict are the main reasons for the systemic complexity of the problems of education and science, which have increased the importance of the human factor. The main goal of the work is to further develop a convergent approach to studying the problems of the safety of the human factor on a transdisciplinary basis. The key reason for systemic security problems and the manifestation of the human factor is self-organized criticality, the manifestation of which in information transmission lines causes nonlinearity and instability of fractal signals of various natures. The work establishes a connection between the transitional functional states of a person with the individuality of his cognitive activity. A toolkit for identifying induced spatial and temporal inhomogeneities of information transmission media, which generate hidden spatio-temporal relationships at different scale levels, is proposed. These interconnections are determined by the individuality of the cognitive graphic images of fractal and multifractal signals of various natures. The creation of a knowledge base of cognitive graphic images of the dynamic structure of fractal and multifractal signals of various nature will allow finding solutions not yet available to the brain and computer separately. The application of the transdisciplinary convergent approach and tools based on it to electrophysiological signals of a human operator demonstrates advantages and new possibilities. In particular, revealing hidden spatio-temporal relationships that determine the manifestation of human factor in difficult conditions. The innovative potential of the convergent approach to training and forecasting activities of operators (pilot, dispatcher, etc.) is being discussed.

Dinuclear Copper(I) Thiodiacetate Complex-Mediated Expeditious Synthesis of the Chlorine-Containing Cyclen-Cored 36-Glucose-Coated Glycodendrimer

High-sugar-tethered glycodendrimers are a remarkable tool in glycobiology for the investigation of carbohydrate-protein interaction using its multivalency property. An enthralling double-stage convergent synthetic approach was selected to build a novel class of chlorine-containing glucose-coated dendrimers using an efficient click catalyst ‘dinuclear copper(I) thiodiacetate complex.’ In this context, cyclen core was developed through a divergent approach, while the glucodendron was developed via a convergent approach independently. Both azide-alkyne partners were coupled through a modular copper azide-alkyne cycloaddition (CuAAC) strategy to afford a high yield of the desired 36-glucose-coated glycodendrimer. The synthesized glycodendrimer has been elucidated by NMR, gel permeation chromatography (GPC), and IR spectral analysis.

THE VIABILITY AS AN EMERGENT PROPERTY OF SELF-ORGANIZING SYSTEMS

The necessity of a man-machine system considering as a self-organizing one is shown. The most significant difficulty in such a system is the study of its emergent properties. The paper focuses on viability as an emergent property of the system. The concepts of hardiness, human factor, system resources, biosystem were considered. It allowed proposing the viability’s concept of a self-organizing system based on biomimetics principles. The roadmap of convergent research and analysis of the man-machine system’s viability is presented. The convergent approach to the self-organizing system’s viability is realised in the proposed roadmap.