Molecular dynamics (MD) simulations and Brillouin light scattering (BLS) spectroscopy experiments have been carried to study the structure of sodium silicate glasses (SiO)(NaO), where X ranges from 0 to 45 at room temperature. The MD-obtained glass structures have been subjected to energy minimization at zero temperature to extract the elastic constants also obtained by BLS spectroscopy. The structures obtained are in good agreement with the structural experimental data realized by different techniques. The simulations show that the values of the elastic constants as a function of X (i.e., NaO mol %) agree well with those measured by BLS spectroscopy. The variations of elastic constants C and C as a function of NaO mol % are discussed and correlated to structural results and potential energies of oxygen atoms.
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http://dx.doi.org/10.1021/acs.jpcb.6b09664 | DOI Listing |
Nanotheranostics
January 2025
Department of Pathology and Laboratory Medicine, Warren Alpert Medical School, Brown University, Providence, RI 02912, USA.
In treating type 2 diabetes, avoiding glucose reabsorption (glucotoxicity) and managing hyperglycemia are also important. A metabolic condition known as diabetes (type-2) is characterized by high blood sugar levels in comparison to normal Bilosomes (BLs) containing Dapagliflozin (Dapa) were formulated, optimized, and tested for oral therapeutic efficacy in the current investigation. Used the Box Behnken design to optimize the Dapa-BLs, formulated via a thin-film hydration technique.
View Article and Find Full Text PDFAnal Methods
January 2025
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara, BLS 21, Yogyakarta 55281, Indonesia.
A method to detect camphor gas is considered indispensable in the pharmaceutical industry. Unfortunately, the available sensors to detect the presence of camphor in the air are very limited and still on a laboratory scale, such as using chromatography-mass spectroscopy (GC-MS). The research's main focus is to obtain a portable sensing system with excellent sensitivity and selectivity.
View Article and Find Full Text PDFJ Phys Chem B
December 2024
Institute of Electronic Structure and Laser, FORTH, Heraklion 70013, Greece.
The response of soft materials to an imposed oscillatory stress is typically frequency dependent, with the most utilized frequency range falling in the range of 10-10 rad/s. In contrast to most conventional contact techniques for measuring material elasticity, like tensile or shear rheology and atomic force microscopy, or invasive techniques using probes, such as microrheology, Brillouin light spectroscopy (BLS) offers an optical, noncontact, label-free, submicron resolution and three-dimensional (3D) mapping approach to access the mechanical moduli at GHz frequencies. Currently, the correlation between the experimental viscoelastic (at lower frequencies) and elastic (at higher frequencies) moduli has fundamental and practical relevance, but remains unclear.
View Article and Find Full Text PDFArXiv
November 2024
Center for Anatomy and Cell Biology, Medical University of Vienna, Austria.
Brillouin Light Scattering (BLS) spectroscopy is a non-invasive, non-contact, label-free optical technique that can provide information on the mechanical properties of a material on the sub-micron scale. Over the last decade it has seen increased applications in the life sciences, driven by the observed significance of mechanical properties in biological processes, the realization of more sensitive BLS spectrometers and its extension to an imaging modality. As with other spectroscopic techniques, BLS measurements not only detect signals characteristic of the investigated sample, but also of the experimental apparatus, and can be significantly affected by measurement conditions.
View Article and Find Full Text PDFTalanta
March 2025
School of Automation Engineering, University of Electronic Science and Technology of China, Chengdu, Sichuan 611731, PR China; National Key Laboratory of Prospecting, Mining and Remote Sense Detecting on Uranium Resources, East China University of Technology, Nanchang, Jiangxi, 330013, PR China.
Combining machine learning with X-ray fluorescence (XRF) spectroscopy is a promising solution for quantitatively analyzing heavy metal elements in soil. However, the implied linear and nonlinear interferences between spectral intensities and elemental concentrations are difficult to quantify by a single model, thus degrading the prediction performance for low-concentration elements. This paper presents a novel combined spectral variable selection and fusion modeling framework for quantitative analysis of heavy metal elements in soil XRF, which consists of the proposed Particle Swarm Optimization-based Competitive Adaptive Re-weighted Sampling (PSO-CARS) by adaptive decay strategy and Dual Principal Component Analysis-based broad learning system (BLS-Net).
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