Search results for "Note"

Structural symmetry breaking in octupolar tetrastyrylpyrazines and their dipole moments in equilibrium ground and Franck-Condon excited state

2018

Abstract From electrooptical absorption measurements (EOAM) follows that the dipole moment of octupolar tetrastyrylpyrazines in the equilibrium ground state is large and that the change of dipole moments upon transition to the excited Franck–Condon state is significant. Obtained results unambiguously testify to structural symmetry breaking in the studied octupolar tetrastyrylpyrazines. Molecular mechanics and semi-empirical calculations evidence that tetrastyrylpyrazines have non-planar configurations. The non-planar geometry of the molecules causes large μg values and significant change of dipole moment Δaμ after excitation. Due to large μg and Δaμ values the maxima of the first absorption…

Production of bone mineral material and BMP-2 in osteoblasts cultured on double acid-etched titanium

2017

Background: The study of osteoblasts and their osteogenic functions is essential in order to understand them and their applications in implantology. In this sense, this study try to study BMP-2 production and bone matrix deposition, in addition to other biological variables, in osteoblasts cultured on a rough double acid-etched titanium surface (Osseotite®, Biomet 3i, Palm Beach Garden, Florida, USA) in comparison to a smooth titanium surface (machined) and a control Petri dish. Material and Methods: An in vitro prospective study. NHOst human osteoblasts from the femur were cultured on three different surfaces: Control group: 25-mm methacrylate dish (n = 6); Machined group: titanium discs w…

2020

Large segmental bone defects occurring after trauma, bone tumors, infections or revision surgeries are a challenge for surgeons. The aim of our study was to develop a new biomaterial utilizing simple and cheap 3D-printing techniques. A porous polylactide (PLA) cylinder was printed and functionalized with stromal-derived factor 1 (SDF-1) or bone morphogenetic protein 7 (BMP-7) immobilized in collagen type I. Biomechanical testing proved biomechanical stability and the scaffolds were implanted into a 6 mm critical size defect in rat femur. Bone growth was observed via x-ray and after 8 weeks, bone regeneration was analyzed with µCT and histological staining methods. Development of non-unions …

Osseous response on linear and cyclic RGD-peptides immobilized on titanium surfaces in vitro and in vivo

2017

Biomimetic surface modifications of titanium implants using the Arg-Gly-Asp-sequence (RGD) are promising to accelerate bone healing in cases of medical implants. Therefore, we compared the impact of linear and cyclic RGD (l- and c-RGD) covalently coupled onto titanium surfaces on the osseous response in vitro and in vivo. In vitro, osteoblasts' behaviour on different surfaces (unmodified, amino-silanized (APTES), l- and c-RGD) was analysed regarding adhesion (fluorescence microscopy), proliferation (resazurin stain) and differentiation (RT-PCR on alkaline phosphatase (AP) & osteocalcin (OC)). In vivo, osteosynthesis screws (unmodified n=8, l-RGD n=8, c-RGD n=8) were inserted into the proxim…

Silica as a morphogenetically active inorganic polymer.

2013

At present the scaffolds used for bioprinting of cells do not elicit morphogenetic responses in the cells. In the present study we approached a solution by studying the effect of an inorganic silica supplement added to an Na-alginate matrix. Bone- and osteoblast-like SaOS-2 cells were embedded into this organic polymeric matrix which was additionally enriched with 400 μM prehydrolyzed TEOS [tetra-ethoxy-silane], a source of ortho-silicate. In this silica-based matrix the cells synthesized hydroxyapatite crystallites after exposure to a mineralization activation cocktail composed of β-glycerophosphate, ascorbic acid and dexamethasone. The degree of hydroxyapatite synthesis, determined by sta…

Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation

2020

The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons and nuclei beyond the Born-Oppenheimer approximation. The case of crystalline solids is discussed …

A Promising Family of Fluorescent Water-Soluble aza-BODIPY Dyes for in Vivo Molecular Imaging.

2019

A new family of water-soluble and bioconjugatable aza-BODIPY fluorophores was designed and synthesized using a boron- functionalization strategy. These dissymmetric bis-ammonium aza-BODIPY dyes present optimal properties for a fluorescent probe; i.e., they are highly water-soluble, very stable in physiological medium; they do not aggregate in PBS, possess high quantum yield; and finally, they can be easily bioconjugated to antibodies. Preliminary in vitro and in vivo studies were performed for one of these fluorophores to image PD-L1 (Programmed Death-Ligand 1), highlighting the high potential of these new probes for future in vivo optical imaging studies.

Towards the elaboration of new gold-based optical theranostics.

2014

Four new red BODIPY–gold(I) theranostic compounds were synthesized. Some of them were vectorized by tethering a biovector (glucose or bombesin derivatives) to the metallic center. Their photophysical properties were studied. Additionally, their cytotoxicity was examined on different cancer cell lines and on a normal cell line, they were tracked in vitro by fluorescence detection, and their uptake was evaluated by ICP-MS measurements.

Encapsulation capacity and natural payload delivery of an anticancer drug from boron nitride nanotube.

2016

The behavior of confined anticancer carboplatin (CPT) molecules in a single (10, 10) boron nitride nanotube (BNNT) was studied by means of molecular dynamics simulations. Our study revealed a very large storage capacity of BNNT. Analysis of the energy profiles depending on the number of confined molecules, and on their spatial organization allowed us to quantify the ability of BNNT to vectorize CPT. Indeed, BNNT despite its small radius presented a large inner volume that favored stable encapsulation of multiple active anticancer molecules. Moreover, in our molecular dynamics simulations, the empty BNNT and the BNNT filled with CPT diffused spontaneously to the cell membrane and were able t…

Driven Bose-Hubbard Model with a Parametrically Modulated Harmonic Trap

2016

We investigate a one-dimensional Bose–Hubbard model in a parametrically driven global harmonic trap. The delicate interplay of both the local interaction of the atoms in the lattice and the driving of the global trap allows us to control the dynamical stability of the trapped quantum many-body state. The impact of the atomic interaction on the dynamical stability of the driven quantum many-body state is revealed in the regime of weak interaction by analyzing a discretized Gross–Pitaevskii equation within a Gaussian variational ansatz, yielding a Mathieu equation for the condensate width. The parametric resonance condition is shown to be modified by the atom interaction strength. In particul…