Parametric resonance brain model.

The paper introduces a parametric resonance model for characterizing some features of the brain's electrical activity. This activity is assumed to be a fundamental aspect of brain functionality underpinning functions from basic sensory processing to complex cognitive operations such as memory, reasoning, and emotion. A pivotal element of the proposed parametric model is neuron synchronization which is crucial for generating detectable brain waves.

Exploring Nano-optical Molecular Switch Systems for Potential Electronic Devices: Understanding Electric and Electronic Properties through DFT-QTAIM Assembly.

The design and synthesis of molecular nanoswitches using organic molecules represent a crucial research field within molecular electronics. To understand the switching mechanisms, it is essential to investigate various factors, such as charge/energy transfer, electron transfer, nonlinear optical properties (NLO), current-voltage (I-V) curves, Joule-like (LJL) and Peltier-like (LPL) intramolecular phenomenological coefficients, as well as the energy levels of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) boundary orbitals. In this Article, a novel approach to designing a molecular nanoswitch and understanding its ON/OFF mechanism is presented, utilizing the quantum theory of atoms in molecules (QTAIM), density functional theory (DFT), and Landauer theory (LT).

DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers.

In this work, we use a combination of dispersion-corrected density functional theory (DFT-D3) and the TiberCAD framework for the first time to investigate a newly designed and synthesized class of (CHN)[CuCl] 2D-type perovskite. The inter- and intra-atomic reorganization in the crystal packing and the type of interaction forming in the active area have been discussed via Hirshfeld surface (HS) analyses. A distinct charge transfer from CuCl to [CHN] is identified by frontier molecular orbitals (FMOs) and density of states (DOS).

A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran.

The selectivity of a novel chemosensor, based on a modified nitrobenzofurazan referred to as NBD-Morph, has been investigated for the detection of heavy metal cations (Co, Pb, Mg, Ag, Cu, Hg, Ni2+, and Zn). The ligand, 4-morpholino-7-nitrobenzofurazan (NBD-Morph), was characterized using spectroscopic techniques including FT-IR and H NMR. Vibrational frequencies obtained from FT-IR and proton NMR (H) chemical shifts were accurately predicted employing the density functional theory (DFT) at the B3LYP level of theory.

Exponential feedback effects in a parametric resonance climate model.

The variations in the distribution of solar radiation due to the  ~ 10 years Milankovitch cycle, which is connected to the Earth eccentricity variation, cannot explain the sharp drop in temperature of 6 °C ÷ 10 °C that marks the transition from the interglacial to the glacial age registered in the last ~ 5.5 10 years temperature variation behavior. More specifically, neglecting other effects, only a temperature variation of 0.

Lichenysin-like Polypeptide Production by B3-15 and Its Antiadhesive and Antibiofilm Properties.

We report the ability of the crude biosurfactant (BS B3-15), produced by the marine, thermotolerant B3-15, to hinder the adhesion and biofilm formation of ATCC 27853 and ATCC 29213 to polystyrene and human cells. First, we attempted to increase the BS yield, optimizing the culture conditions, and evaluated the surface-active properties of cell-free supernatants. Under phosphate deprivation (0.

Exploration of intramolecular charge transfer in para-substituted nitrobenzofurazan: Experimental and theoretical analyses.

The present work aims at exploring the high electrophilic character of 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole (NBD-Cl) toward the morpholine group by an SAr reaction in acetonitrile or water (thereafter referred to as NBD-Morph). The electron-donating ability of the morpholine causes intra-molecular charge transfer (ICT). In this report, we present a comprehensive study on the optical characteristics using UV-Vis, photoluminescence (cw-PL) and its time-resolved (TR-PL) to determine the properties of the emissive intramolecular charge transfer (ICT) in the NBD-Morph donor-acceptor system.

Investigation of Glucose-Water Mixtures as a Function of Concentration and Temperature by Infrared Spectroscopy.

The main aim of the present paper is to characterize the hydration properties of glucose and the hydrogen bond network in glucose-water mixtures. For these purposes, temperature scans on ten concentration values of glucose-water mixtures were performed by means of Fourier Transform InfraRed (FTIR) spectroscopy. More specifically, in order to get this information an analysis of the intramolecular OH stretching mode, investigating the 3000-3700 cm spectral range, was performed by means of an innovative approach based on the evaluation of the Spectral Distance (SD).

Multiscale Spectral Analysis on Lysozyme Aqueous Solutions in the Presence of PolyEthyleneGlycol.

Infrared spectroscopy measurements were performed on Lysozyme aqueous solutions also in the presence of PolyEthylene Glycol (PEG 400) as a function of an increasing temperature from T = 27 °C to 90 °C, and, successively in sequence, by decreasing temperatures from T = 90 °C to 27 °C. Data were analyzed by evaluating the spectral difference with respect to the initial spectrum collected at 27 °C. This procedure allows to quantitatively evaluate the thermal restraint related to the thermal scan from T = 27 °C to 90 °C, as well as to introduce a spectral resilience concerning the entire increasing and decreasing thermal paths which allow to highlight the bioprotectant effectiveness of low molecular weight PEG.

Stabilization Effects Induced by Trehalose on Creatine Aqueous Solutions Investigated by Infrared Spectroscopy.

Creatine is a very popular amino acid widely utilized in the sports world due to its functions mainly related to muscle building and increasing performance. The present work investigates the behavior of creatine aqueous solutions and of creatine aqueous in the presence of trehalose as a function of time changes by means of Infrared spectroscopy. Infrared spectra have been gathered and studied over time for both the full spectrum and the intramolecular OH-stretching region for the two mixtures.

Hydrating Capabilities of the Biopolymers Produced by the Marine Thermophilic SBP3 as Evaluated by ATR-FTIR Spectroscopy.

The surfactin-like lipopeptide (BS-SBP3) and the exopolysaccharide (EPS-SBP3) produced by the polyextremophilic SBP3 (DSM 103063) have been recently described as valuable biopolymers useful in biotechnological applications. To investigate the hydrating capabilities of BS-SBP3 and EPS-SBP3, here we evaluated (i) their wetting properties, measuring the contact angle; (ii) their moisture uptake abilities using the gravimetric method; and (iii) their hydrating states (from 0 to 160% / of water content) using ATR-FTIR spectroscopy. BS-SBP3 reduced the water contact angle on a hydrophobic surface from 81.

Experimental Investigation on the Bioprotective Role of Trehalose on Glutamine Solutions by Infrared Spectroscopy.

Glutamine plays a significant role in several basic metabolic processes and is an important regulator of heat shock protein response. The present work is focused on the analysis of the thermal response of aqueous solutions of Glutamine and aqueous solutions of Glutamine in the presence of Trehalose by means of infrared absorption technique. The performed study shows how in the case of a multicomponent system, characterized by a huge number of spectral contributions whose assignment are questionable, the Spectral Distance (SD) and the Cross Wavelet Correlation (XWT) approaches are able to furnish explanatory parameters that can characterize the variations in the spectra behaviour, which is an efficient tool for quantitative comparisons.

Molecular Basis of Interactions between the Antibiotic Nitrofurantoin and Human Serum Albumin: A Mechanism for the Rapid Drug Blood Transportation.

Nitrofurantoin is an antimicrobial agent obtained through the addition of a nitro group and a side chain containing hydantoin to a furan ring. The interactions of the antibiotic with human serum albumin (HSA) have been investigated by fluorescence, UV-VIS, Fourier transform infrared spectroscopy (FTIR) spectroscopy, and protein-ligand docking studies. The fluorescence studies indicate that the binding site of the additive involves modifications of the environment around Trp214 at the level of subdomain IIA.

Effects of Heavy Ion Particle Irradiation on Spore Germination of spp. from Extremely Hot and Cold Environments.

Extremophiles are optimal models in experimentally addressing questions about the effects of cosmic radiation on biological systems. The resistance to high charge energy (HZE) particles, and helium (He) ions and iron (Fe) ions (LET at 2.2 and 200 keV/µm, respectively, until 1000 Gy), of spores from two thermophiles, SBP3 and T14, and two psychrotolerants, sp.

Editorial-Special Issue "Macromolecular Self-Assembly Materials: From Modeling to Advanced Applications".

Materials self-assembly represents a key strategy for the design and fabrication of nanostructured systems and has become a fundamental approach for the construction of advanced nanomaterials [...

The inverse relation between mitochondrial transmembrane potential and proteins α-helix in neuronal-like cells under static magnetic field and the role of VDAC.

In this study, a correlation between cell channel α-helices displacement and the mitochondrial transmembrane potential after exposure of 3, 7, 15 and 24 h of neuronal-like cells to a uniform magnetic field at the intensity of 2 mT was shown. Fourier Transform Infrared (FTIR) Spectroscopy and fluorescence techniques were used to analyze the secondary structure of protein content and mitochondrial transmembrane potential, respectively. The main result of this study was represented by a significant inverse relation between the mitochondrial transmembrane potential and the intensity of the Amide I band that can be associated with time exposure.

Modulation of Maillard reaction and protein aggregation in bovine meat following exposure to microwave heating and possible impact on digestive processes: An FTIR spectroscopy study.

The aim of this study was to highlight the existence of a correlation between Maillard reaction and protein aggregation in bovine meat as a function of power level and exposure time used by microwave heating. The obtained results are compared with those of convective heating. For this, Fourier Transform-Infrared Spectroscopy was used to analyze the effects of microwave heating on different samples of bovine meat cooked in microwave ovens at three power levels of 700, 900 and 1100 W, and in conventional electric oven at the temperature of 170°C.

Chromosome aberration in typical biological systems under exposure to low- and high-intensity magnetic fields.

The aim of this study was to investigate the response of chromosomes in typical human and plant cells under applied low-frequency magnetic fields at low and high intensities. Neuronal-like cells and roots of and were used to investigate chromosome's response to a static and 50 Hz magnetic fields at intensities ranging from 1 mT to 0.8 T, generated by two Helmholtz coils driven by direct current or alternate current voltage.

Self-assembly Processes in Hydrated Montmorillonite by FTIR Investigations.

Experimental findings obtained by FTIR and Raman spectroscopies on montmorillonite-water mixtures at three concentration values are presented. To get some insight into the hydrogen bond network of water within the montmorillonite network, FTIR and Raman spectra have been collected as a function of time and then analyzed following two complementary approaches: An analysis of the intramolecular OH stretching mode in the spectral range of 2700-3900 cm in terms of two Gaussian components, and an analysis of the same OH stretching mode by wavelet cross-correlation. The FTIR and Raman investigations have been carried as a function of time for a montmorillonite-water weight composition (wt%) of 20%-80%, 25%-75%, and 35%-65%, until the dehydrated state where the samples appear as a homogeneous rigid layer of clay.

Self-assembly of Organic Nanomaterials and Biomaterials: The Bottom-Up Approach for Functional Nanostructures Formation and Advanced Applications.

In this paper, we survey recent advances in the self-assembly processes of novel functional platforms for nanomaterials and biomaterials applications. We provide an organized overview, by analyzing the main factors that influence the formation of organic nanostructured systems, while putting into evidence the main challenges, limitations and emerging approaches in the various fields of nanotechology and biotechnology. We outline how the building blocks properties, the mutual and cooperative interactions, as well as the initial spatial configuration (and environment conditions) play a fundamental role in the construction of efficient nanostructured materials with desired functional properties.

Thermal properties of an exopolysaccharide produced by a marine thermotolerant Bacillus licheniformis by ATR-FTIR spectroscopy.

The novel exopolysaccharide (EPS-B3-15) produced by the marine thermotolerant Bacillus licheniformis strain B3-15, constituted by mannose and glucose, has been recently reported as a valuable biopolymer in pharmaceutical applications. To dynamically characterize the thermal behavior of the whole EPS-B3-15 system, the Attenuated Total Reflectance Fourier Transform Infra-Red spectroscopy technique was used over a temperature range from ambient to 78.5 °C.

Methyl and methylene vibrations response in amino acids of typical proteins in water solution under high-frequency electromagnetic field.

The aim of this paper was to study the response of methyl (CH) and methylene (CH) vibration bands in amino acids of some typical proteins diluted in bidistilled water solution after exposure to a high-frequency electromagnetic fields using Fourier Transform Infrared (FTIR) Spectroscopy. Hemoglobin in HO solution and bovine serum albumin and myoglobin diluted in different DO solutions were exposed for 4 h to a power density of 0.95 W/m at the frequency of 1750 MHz, emitted by operational mobile phones Nokia model 105 and Samsung model GT-E1270, in order to study the response of stretching vibrations of CH and CH that are in amino acids of those proteins.

Infrared spectroscopic demonstration of magnetic orientation in SH-SY5Y neuronal-like cells induced by static or 50 Hz magnetic fields.

To study the response of neuronal-like cells to an applied static or low-frequency magnetic field. Fourier Transform Infrared (FTIR) Spectroscopy was used to investigate the overall behavior of SH-SY5Y neuronal-like cells exposed to a static or 50 Hz magnetic fields at intensities up to 1 mT generated by two Helmholtz coils driven by direct current or alternate current voltage. The Helmholtz coils were placed into an incubator in a 5% CO/95% air humidified at 37 °C.

Leonardo da Vinci: Cause, effect, linearity, and memory.

In this contribution, some textual portions of the Leonardo da Vinci's work were analyzed with the aim to highlight how, moving from Aristotle and going beyond him, he combines the intermediate positions that, from the Greek philosopher, passing through Buridan, arrive to Newton. This has been performed following a path that passes through the formulation of the principle of causality, the use of the concept of linear relationship (pyramidal law) between cause and effect and the introduction of a duration of the impression (memory) of mechanical systems. In the framework of the studies aimed to a valorization of Leonardo as a scientist, which is a crucial aspect in the analysis of the Leonardo genius, the present work sheds a new light on his intuitions about some fundamental physics concepts as well as about the conceptual model that, several centuries later, will be formalized in the modern linear response theory.