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Novel medication development is a time-consuming and expensive multistage procedure. Recent technology developments have lowered timeframes, complexity, and cost dramatically. Current research projects are driven by AI and machine learning computational models. This chapter will introduce quantum computing (QC) to drug development issues and provide an in-depth discussion of how quantum computing may be used to solve various drug discovery problems. We will first discuss the fundamentals of QC, a review of known Hamiltonians, how to apply Hamiltonians to drug discovery challenges, and what the noisy intermediate-scale quantum (NISQ) era methods and their limitations are.We will further discuss how these NISQ era techniques can aid with specific drug discovery challenges, including protein folding, molecular docking, AI-/ML-based optimization, and novel modalities for small molecules and RNA secondary structures. Consequently, we will discuss the latest QC landscape's opportunities and challenges., (© 2024. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)

From many years, studies on psychoanalysis were built within a Newtonian framework. Today, with updated contemporary knowledge about quantum physics, we have the opportunity to bring a deeper appreciation to the study of psychoanalysis. Based on the contemporary development of quantum mechanics, I sought to demonstrate how these developments are compatible with psychoanalytic psychotherapy. By illustrating the supervised psychotherapy case below, I sketch a line of thought about a quantum-like modeling in psychoanalytic psychotherapy, specifically in the psychoanalytic listening. Finally, I have proposed ‘Quantum Listening’ eventually transmitting this quantum-like perspective of psychoanalytic listening to the rest of the psychoanalyst community and psychiatrist society in general. Through this paper, I hope to demonstrate how quantum physics is applicable to psychoanalysis. Although it is hard to know how much credence is given to the concept ‘Quantum Listening’, it does add motivation for a more comprehensive understanding of psychoanalytic listening. This short and basic paper is a preliminary to ‘Quantum Listening’ and further research will be carried out afterwards. [ABSTRACT FROM AUTHOR]

The profiles of the edge of rectangular sheets of paper folded so as to join opposite edges were measured and compared with the profiles calculated with the theory of elasticity. I show how the calculation can be accomplished by using the aspect ratio of the loops as the only input parameter. [ABSTRACT FROM AUTHOR]

Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory. The main use of Fanpy is to quickly prototype new methods by making it easier to convert the mathematical formulation of a new wavefunction ansätze to a working implementation. Fanpy is designed based on our recently introduced Flexible Ansatz for N-electron Configuration Interaction (FANCI) framework, where multideterminant wavefunctions are represented by their overlaps with Slater determinants of orthonormal spin-orbitals. In the simplest case, a new wavefunction ansatz can be implemented by simply writing a function for evaluating its overlap with an arbitrary Slater determinant. Fanpy is modular in both implementation and theory: the wavefunction model, the system's Hamiltonian, and the choice of objective function are all independent modules. This modular structure makes it easy for users to mix and match different methods and for developers to quickly explore new ideas. Fanpy is written purely in Python with standard dependencies, making it accessible for various operating systems. In addition, it adheres to principles of modern software development, including comprehensive documentation, extensive testing, quality assurance, and continuous integration and delivery protocols. This article is considered to be the official release notes for the Fanpy library., (© 2022 Wiley Periodicals LLC.)

Cyclic tetraaryl[5]cumulenes (1 a-f) have been synthesized and studied as a function of increasing ring strain. The magnitude of ring strain is approximated by the extent of bending of the cumulenic core as assessed by a combination of X-ray crystallographic analysis and DFT calculations. Trends are observed in 13 C NMR, UV-vis, and Raman spectra associated with ring strain, but the effects are small. In particular, the experimental HOMO-LUMO gap is not appreciably affected by bending of the [5]cumulene framework from ca. 174° (λ max =504 nm) in 1 a to ca. 178° (λ max =494 nm) in 1 f., (© 2022 Wiley-VCH GmbH.)

In the 21st century, various socio-economic crises have revealed that traditional economic science and (neo)classical thinking are unable to explain all the complexity of current economic problems, therefore the application of more complex and non-trivial economic concepts is gaining relevance. In addition to behavioral and evolutionary economic thinking, models of quantum economics have been developed in recent years, which allow solving economic problems, using mainly quantum thinking and the principles of quantum physics, in particular particle-wave dualism, the principle of uncertainty, the absence of a subject-object distinction, superposition and confusion. The article addresses 3 research questions (RQ). According to RQ1, the paper finds that quantum economics research is dominated by the following topics: quantum economics, quantum finance, quantum decision making, and quantum game theory. According to these four thematic descriptors, the article carries out a systematic modern review of scientific works in the period from 1978 to 2022 (if only 50 works were published in 1978-1999, then in 2000-2022 already 3430), with an emphasis on the most cited (Google Scholar) English-language journal articles. The analysis showed that articles on this topic are published mainly in journals of a non-economic profile, that the peaks of publication activity occur at times of powerful socio-economic upheavals (for example, the dot.com bubble, the substandard/financial crisis, the European debt crisis, the coronavirus pandemic, etc.). In accordance with RQ2, the article defines the key characteristics of the quantum economic model: in contrast to neoclassical economics (based on mechanistic classical physics, is rational and deterministic, with the help of the invisible hand of the market it leads to a stable equilibrium), the quantum approach, on the contrary, considers the economy as more complex, empirically oriented, uncertain, probabilistic, superpositional, as an archetypal example of a quantum social system that has its own versions of duality, measurement, and entanglement. According to RQ 3, the article determines to what extent quantum economics can update (neo)classical economics (integration of new ontological premises into economic thinking, more experimental and practical approach, connection between the concept of entanglement and sustainable development, management of financial risks based on the concept of quantum probability, rethinking the concept of randomness by quantum probability, introduction of quantum money, equilibrium using quantum games, etc.). [ABSTRACT FROM AUTHOR]

In 2 H double quantum filtered (DQF) NMR, the various water compartments are characterized by their different residual quadrupolar interactions. The spectral separation between the different signals enables the measurement of the relaxation of each compartment and the magnetization transfer (MT) between them. In the current study, five water compartments were identified in the 2 H DQF spectra of porcine spinal cord. The most prominent signal was the pair of satellites with a quadrupolar splitting of about 550 Hz. 2 H DQF MRI optimized for the 550 Hz quadrupolar splitting indicated that this signal originated mainly from the white matter and it was assigned to the myelin water. This splitting does not change upon changing the orientation of the spinal cord relative to the magnetic field, indicating a liquid crystalline nature. Another site exhibiting splitting of about 1500 Hz was assigned to collagenous connective tissue. The narrow central peak was assigned to a combination of intra- and inter-axonal water. The assignment of the other two sites is not certain and requires further study. The rates of MT between the various sites were recorded., (© 2020 John Wiley & Sons, Ltd.)

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In a recent paper, we derived a new equation of state (EOS) for dense hydrogen/helium mixtures that covers the temperature–density domain from solar-type stars to brown dwarfs and gaseous planets. This EOS is based on the so-called additive volume law and thus does not take into account the interactions between the hydrogen and helium species. In the present paper, we go beyond these calculations by taking into account H/He interactions, derived from quantum molecular dynamics simulations. These interactions, which eventually lead to H/He phase separation, become important at low temperature and high density, in the domain of brown dwarfs and giant planets. The tables of this new EOS are made publicly available. [ABSTRACT FROM AUTHOR]

A waste-derived paste of a mixture of paper sludge and tire derived aggregate (TDA) was investigated for daily cover application in municipal solid waste (MSW) landfills. The use of earth materials as daily covers not only consumes valuable landfill space, but also creates a series of operating issues. In this study, an experimental testing program was undertaken with the goal of evaluating the mechanical behaviors of the paste based on the findings of the index properties, compressibility, hydraulic conductivity, stress-induced deformation, stress–strain response, and shear resistance of the materials. The mechanical behaviors of the individual TDA, the sludge, as well as the mixture of the two, were evaluated. When compared to traditional soil covers, the proposed paste was: (i) 2–3 times lighter in weight; (ii) at least two orders of magnitude more impermeable; and (iii) comparable in shear resistance. It was also found that with the addition of TDA to the sludge, the shear strength of the paste was improved considerably. The reinforcing mechanisms were explored and quantified, suggesting an optimal TDA content of about 55% by weight. The results from this study indicate that the proposed paste has mechanical characteristics that are desirable for a potential landfill daily cover. [ABSTRACT FROM AUTHOR]