What is the nature of polyacetylene neutral and anionic chains HC(2n)H and HC(2n)H(-) (n = 6-12) that have recently been observed?

The optimized geometries, adiabatic electron affinities, and IR-active vibrational frequencies have been predicted for the long linear carbon chains HC(2n)H. The B3LYP density functional combined with the DZP basis set was used in this theoretical study. The computed physical properties are discussed. The predicted electron affinities form a remarkably regular sequence: 1.78 (HC(12)H), 2.08 (HC(14)H), 2.32 (HC(16)H), 2.53 (HC(18)H), 2.69 (HC(20)H), 2.83 (HC(22)H), and 2.95 eV (HC(24)H). The predicted structures display an alternating triple and very short single bond pattern, with the degree of bond alternation significantly less for the radical anions.     

Inclusion of thymol into cucurbiturils: density functional theory approach with dispersion correction and natural bond orbital analysis

Journal of Inclusion Phenomena and Macrocyclic Chemistry - Stability of inclusion complexes of thymol (a natural flavour) with cucurbit[n]urils was interpreted by using density functional theory...     

Cycle-maximal triangle-free graphs

We conjecture that the balanced complete bipartite graph _{K⌊n/2⌋,⌈n/2⌉}$K_{\lfloor n/2\rfloor ,\lceil n/2\rceil }$ contains more cycles than any other n$n$-vertex triangle-free graph, and we make some progress toward proving this. We give equivalent conditions for cycle-maximal triangle-free graphs; show bounds on the numbers of cycles in graphs depending on numbers of vertices and edges, girth, and homomorphisms to small fixed graphs; and use the bounds to show that among regular graphs, the conjecture holds. We also consider graphs that are close to being regular, with the minimum and maximum degrees differing by at most a positive integer k$k$. For k=1$k=1$, we show that any such counterexamples have n≤91$n\le 91$ and are not homomorphic to _C5$C_5$; and for any fixed k$k$ there exists a finite upper bound on the number of vertices in a counterexample. Finally, we describe an algorithm for efficiently computing the matrix permanent (a #P$\#P$-complete problem in general) in a special case used by our bounds.     

Adaptive vehicle posture and height synchronization control of active air suspension systems with multiple uncertainties

This paper addresses the tasks of height and posture motion control for an electronically controlled active air suspension (AAS) system. A mathematical model of a vehicle body with AAS system is established to describe the dynamic characteristics and then formulated into a multi-input multi-output nonlinear system by considering parametric uncertainties and unmodelled dynamics. Based on this mathematical model, a synchronization control strategy is proposed to adjust the heights of adjacent AASs simultaneously, driving the pitch and roll angles closely to an arbitrarily neighborhood of zero, achieving global uniform ultimate boundedness. The proposed controller is robust to parametric uncertainties and external disturbances. A projection operator is utilized to limit the estimated parameters to their corresponding prescribed bounds in finite time. A co-simulation is conducted by combining a virtual vehicle plant with ASS system in AMEsim with the proposed synchronization controller in MATLAB/Simulink. Simulation results demonstrate that the proposed synchronization controller is effective and robust.     

Health-Promoting Properties of Medicinal Mushrooms and Their Bioactive Compounds for the COVID-19 Era—An Appraisal: Do the Pro-Health Claims Measure Up?

Many mushroom species are consumed as food, while significant numbers are also utilised medicinally. Mushrooms are rich in nutrients and bioactive compounds. A growing body of in vitro, in vivo, and human research has revealed their therapeutic potentials, which include such properties as anti-pathogenic, antioxidant, anti-inflammatory, immunomodulatory, gut microbiota enhancement, and angiotensin-converting enzyme 2 specificity. The uses of medicinal mushrooms (MMs) as extracts in nutraceuticals and other functional food and health products are burgeoning. COVID-19 presents an opportunity to consider how, and if, specific MM compounds might be utilised therapeutically to mitigate associated risk factors, reduce disease severity, and support recovery. As vaccines become a mainstay, MMs may have the potential as an adjunct therapy to enhance immunity. In the context of COVID-19, this review explores current research about MMs to identify the key properties claimed to confer health benefits. Considered also are barriers or limitations that may impact general recommendations on MMs as therapy. It is contended that the extraction method used to isolate bioactive compounds must be a primary consideration for efficacious targeting of physiological endpoints. Mushrooms commonly available for culinary use and obtainable as a dietary supplement for medicinal purposes are included in this review. Specific properties related to these mushrooms have been considered due to their potential protective and mediating effects on human exposure to the SARS CoV-2 virus and the ensuing COVID-19 disease processes.     

Balance of mass, momentum, and energy in splintering central collisions for 40Ar up to 115 MeV /Nucleon

For central collisions of (17-115)A MeV 40Ar+Cu, Ag, Au, an overall balance is determined for the average mass, energy, and longitudinal momentum. Light charged particles and fragments are separated into forward-focused and isotropic components in the frame of the heaviest fragment. Energy removal by the isotropic component reaches 1-2 GeV. For such high deposition energies, statistical multifragmentation models predict much more extensive nuclear disassembly than is observed.     

Investigation of cw injection laser with external dispersive cavity

Tunable single-frequency lasing with output power up to 9 mW was achieved in an injection laser with an external dispersive cavity. The bistable lasing mode was investigated theoretically and experimentally. It is shown that its presence is due to the laser-diode active-region optical nonlinearity. Investigation of equal-frequency fluctuation spectra of the output power has shown that only modes with differing transverse structures can be excited simultaneously. Suppression of weak modes by the field of a strong mode was observed. This increases the stability of the single-frequency lasing as the laser output power is increased.Translated from Trudy Ordena Lenina Fizicheskogo Instituta im. P. N. Lebedeva, Vol. 141, pp. 62–88, 1983.     

Four Questions on Birkhoff Polytope

We ask several questions on the structure of the polytope P_n of doubly stochastic n 2 n matrices, known as a Birkhoff polytope. We discuss the volume of P_n, the work of the simplex method, and the mixing of random walks on P_n.