Nitrogen-Doped Diamond-like Coatings for Long-Term Enhanced Cell Adhesion on Electrospun Poly(ε-caprolactone) Scaffold Surfaces.

Electrospun poly(ε-caprolactone) (PCL)-based scaffolds are widely used in tissue engineering. However, low cell adhesion remains the key drawback of PCL scaffolds. It is well known that nitrogen-doped diamond-like carbon (N-DLC) coatings deposited on the surface of various implants are able to enhance their biocompatibility and functional properties.

The Far-Infrared Absorption Spectrum of HDO: Experimental Line Positions, Accurate Empirical Energy Levels, and a Recommended Line List.

The far-infrared absorption spectrum of monodeuterated water vapor, HDO, is analyzed using three high-sensitivity absorption spectra recorded by high-resolution Fourier transform spectroscopy at the SOLEIL synchrotron facility. The gas sample was obtained using a 1:1 mixture of HO and DO leading to a HDO abundance close to 50%. The room temperature spectra recorded in the 50-720 cm range cover most of the rotational band.

Fabry-Perot Effect Suppression in Gas Cells Used in THz Absorption Spectrometers. Experimental Verification.

A standard measuring gas cell used in absorption spectrometers is a cylinder enclosed by two transparent windows. The Fabry-Perot effects caused by multiple reflections of terahertz waves between these windows produce significant variations in the transmitted radiation intensity. Therefore, the Fabry-Perot effects should be taken into account to correctly measure absorption spectra in Bouguer law-based absorption spectroscopy.

Rovibrational Line Lists of Triplet and Singlet Methylene.

The methylene molecule (CH) is a short-lived radical with lacking data on its spectral line intensities. Although the lifetime of CH is extremely short under Earth's conditions, it exists in a free form in interstellar media. CH is an important intermediate species in chemical reactions associated with the formation and destruction of complex hydrocarbons.

A dataset of optical spectra and clinical features acquired on human healthy skin and on skin carcinomas.

Optical spectroscopy is studied to contribute to skin cancer diagnosis. Indeed, optical spectra are modified along cancer progression and provide complementary information (e.g.

The infrared absorption spectrum of radioactive water isotopologue HO.

A room temperature line list for the HO radioactive isotopologue of the water molecule is computed using the variational nuclear-motion DVR3D program suite and an empirical high-precision potential energy function. The line list consists of rotation-vibrational energies and Einstein-A coefficients, covering a wide spectral range from 0 to 25000 cm and the total angular momenta J up to 30. Estimates of air-broadening coefficients are provided.

The Design, Modeling and Experimental Investigation of a Micro-G Microoptoelectromechanical Accelerometer with an Optical Tunneling Measuring Transducer.

This treatise studies a microoptoelectromechanical accelerometer (MOEMA) with an optical measuring transducer built according to the optical tunneling principle (evanescent coupling). The work discusses the design of the accelerometer's microelectromechanical sensing element (MSE) and states the requirements for the design to achieve a sensitivity threshold of 1 µg m/s at a calculated eigenvalue of the MSE. The studies cover the selection of the dimensions, mass, eigenfrequency and corresponding stiffness of the spring suspension, gravity-induced cross-displacements.

Lifetimes and decay mechanisms of isotopically substituted ozone above the dissociation threshold: matching quantum and classical dynamics.

Energies and lifetimes of vibrational resonances were computed for O-enriched isotopologue O = {OOO and OOO} of the ozone molecule using hyperspherical coordinates and the method of complex absorbing potential. Various types of scattering resonances were identified, including roaming OO-O rotational states, the series corresponding to continuation of bound vibrational resonances of highly excited bending or symmetric stretching vibrational modes. Such a series become metastable above the dissociation limit.

The high resolution absorption spectrum of methane in the 10 800-14 000 cm region: literature review, new results and perspectives.

The recent development of high resolution spectrographs for exoplanetary research in the visible range makes suitable an improvement of our knowledge of the high resolution spectrum of methane. In this contribution, the weak and highly congested absorption spectrum of methane in the 10 800-14 000 cm region (0.71-0.

Wildfire plume ageing in the Photochemical Large Aerosol Chamber (PHOTO-LAC).

Plumes from wildfires are transported over large distances from remote to populated areas and threaten sensitive ecosystems. Dense wildfire plumes are processed by atmospheric oxidants and complex multiphase chemistry, differing from processes at typical ambient concentrations. For studying dense biomass burning plume chemistry in the laboratory, we establish a Photochemical Large Aerosol Chamber (PHOTO-LAC) being the world's largest aerosol chamber with a volume of 1800 m and provide its figures of merit.

A numerical-tensorial "hybrid" nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules.

The analysis and modeling of high-resolution spectra of nonrigid molecules require a specific Hamiltonian and group-theoretical formulation that differs significantly from that of more familiar rigid systems. Within the framework of Hougen-Bunker-Johns (HBJ) theory, this paper is devoted to the construction of a nonrigid Hamiltonian based on a suitable combination of numerical calculations for the nonrigid part in conjunction with the irreducible tensor operator method for the rigid part. For the first time, a variational calculation from ab initio potential energy surfaces is performed using the HBJ kinetic energy operator built from vibrational, large-amplitude motion, and rotational tensor operators expressed in terms of curvilinear and normal coordinates.

Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet ( B ) methylene.

In this work, we report rovibrational energy levels for four isotopologues of methylene (CH , CHD, CD , and CH ) in their ground triplet electronic state ( B ) from variational calculation up to ~10,000 cm and using a new accurate ab initio potential energy surface (PES). Triplet methylene exhibits a large-amplitude bending vibration and can reach a quasilinear configuration due to its low barrier (~2000 cm ). To construct the ab initio PES, the Dunning's augmented correlation-consistent core-valence orbital basis sets were employed up to the sextuple-ζ quality [aug-cc-pCVXZ, X = T, Q, 5, and 6] combined with the single- and double-excitation unrestricted coupled cluster approach with a perturbative treatment of triple excitations [RHF-UCCSD(T)].

Prolonged and Controllable Release of Doxorubicin Hydrochloride from the Composite Electrospun Poly(ε-Caprolactone)/Polyvinylpyrrolidone Scaffolds.

Burst release, typical for the drug-loaded electrospun poly(ε-caprolactone) (PCL) scaffolds is unfavorable in case of cytostatics due to the toxic levels reached during the initial implantation period. In the present short communication, we report an unexpected ability of the composite scaffolds made of PCL and water-soluble polyvinylpyrrolidone (PVP) to provide long-term release of widely used anti-cancer drug doxorubicin hydrochloride (DOX-HCl). That effect was observed for electrospun DOX-HCl-loaded composite scaffolds based on PCL and PVP with various mass ratios (100/0, 95/5, 90/10, 75/25 and 50/50).

Diabetes noninvasive diagnostics and monitoring through volatile biomarkers analysis in the exhaled breath using optical absorption spectroscopy.

The review is aimed on the analysis the abilities of noninvasive diagnostics and monitoring of diabetes mellitus (DM) and DM-associated complications through volatile molecular biomarkers detection in the exhaled breath. The specific biochemical reactions in the body of DM patients and their associations with volatile molecular biomarkers in the breath are considered. The applications of optical spectroscopy methods, including UV, IR, and terahertz spectroscopy for DM-associated volatile molecular biomarkers measurements, are described.

Analysis of experimental spectra of phosphine in the Tetradecad range near 2.3 μm using ab initio calculations.

Due to its major interest for the chemistry of planetary atmospheres and exobiology, accurate spectroscopy data of phosphine are required for the search of signatures of this molecule in astronomical observations. In this work, high resolution infrared laboratory spectra of phosphine were analyzed for the first time in the full Tetradecad region (3769-4763 cm) involving 26 rotationally resolved bands. Overall, 3242 lines were assigned in spectra previously recorded by Fourier transform spectroscopy at temperatures 200 K and 296 K, using a combined theoretical model based on ab initio calculations.

Implementation of data fusion to increase the efficiency of classification of precancerous skin states using in vivo bimodal spectroscopic technique.

This study presents the results of the classification of diffuse reflectance (DR) spectra and multiexcitation autofluorescence (AF) spectra that were collected in vivo from precancerous and benign skin lesions at three different source detector separation (SDS) values. Spectra processing pipeline consisted of dimensionality reduction, which was performed using principal component analysis (PCA), followed by classification step using such methods as support vector machine (SVM), multilayered perceptron (MLP), linear discriminant analysis (LDA), and random forest (RF). In order to increase the efficiency of lesion classification, several data fusion methods were applied to the classification results: majority voting, stacking, and manual optimization of weights.

Discovering Glioma Tissue through Its Biomarkers' Detection in Blood by Raman Spectroscopy and Machine Learning.

The most commonly occurring malignant brain tumors are gliomas, and among them is glioblastoma multiforme. The main idea of the paper is to estimate dependency between glioma tissue and blood serum biomarkers using Raman spectroscopy. We used the most common model of human glioma when continuous cell lines, such as U87, derived from primary human tumor cells, are transplanted intracranially into the mouse brain.

Light distribution in fat cell layers at physiological temperatures.

Adipose tissue (AT) optical properties for physiological temperatures and in vivo conditions are still insufficiently studied. The AT is composed mainly of packed cells close to spherical shape. It is a possible reason that AT demonstrates a very complicated spatial structure of reflected or transmitted light.

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range calculations.

The results of a rigorous study of the two first pure rotational transitions of CO perturbed by Ar are presented. The experimental part is based on the use of three different spectrometers covering together the pressure range from 0.02 up to 1500 torr.

Pulsed Vacuum Arc Deposition of Nitrogen-Doped Diamond-like Coatings for Long-Term Hydrophilicity of Electrospun Poly(ε-caprolactone) Scaffolds.

The surface hydrophobicity of poly(ε-caprolactone) electrospun scaffolds prevents their interactions with cells and tissue integration. Although plasma treatment of scaffolds enhances their hydrophilicity, this effect is temporary, and the hydrophobicity of the scaffolds is restored in about 30 days. In this communication, we report a method for hydrophilization of poly(ε-caprolactone) electrospun scaffolds for more than 6 months.

Nonlinear Propagation and Filamentation on 100 Meter Air Path of Femtosecond Beam Partitioned by Wire Mesh.

High-intensity (∼1 TW/cm2 and higher) region formed in the propagation of ∼60 GW, 90 fs Ti:Sapphire laser pulse on a ∼100 m path in air spans for several tens of meters and includes a plasma filament and a postfilament light channel. The intensity in this extended region is high enough to generate an infrared supercontinuum wing and to initiate laser-induced discharge in the gap between the electrodes. In the experiment and simulations, we delay the high-intensity region along the propagation direction by inserting metal-wire meshes with square cells at the laser system output.

New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations.

In the present work, high-level ab initio calculations were carried out for the ground electronic state of the methyl radical (CH). Dunning's augmented correlation-consistent orbital basis sets were employed up to the quintuple-ζ valence quality with the core-valence electron correlation [aug-cc-pCV5Z] combined with the single- and double-excitation unrestricted coupled-cluster approach with a perturbative treatment of triple excitations [RHF-UCCSD(T)]. The explicitly correlated version of the coupled-cluster approach [RHF-UCCSD(T)-F12x{x = a, b}] was additionally applied with the core-valence cc-pCVQZ-F12 basis set in order to study convergence with respect to the basis set size.

Effect of Temperature on the Diffusion and Sorption of Cations in Clay Vermiculite.

The MD method for modeling vermiculite containing Na, Rb, Cs, Mg, and Ba cations shows the following: With a weak swelling of clay, the temperature has no significant effect on the diffusion of water and cations through vermiculite. With a high content of water in vermiculite, the effect of temperature on the diffusion coefficient of water is greater than that of cations. We studied the structure of RDF ions in Na-vermiculite, in which some of the cations are replaced by Rb, Cs, Mg, and Ba.