Search results for " molecule"
showing 10 items of 1523 documents
Nanocomposites based on polystyrene and POSS molecules: properties and photo-stability
2013
Trans -Cyclooctene-Functionalized PeptoBrushes with Improved Reaction Kinetics of the Tetrazine Ligation for Pretargeted Nuclear Imaging
2020
Tumor targeting using agents with slow pharmacokinetics represents a major challenge in nuclear imaging and targeted radionuclide therapy as they most often result in low imaging contrast and high radiation dose to healthy tissue. To address this challenge, we developed a polymer-based targeting agent that can be used for pretargeted imaging and thus separates tumor accumulation from the imaging step in time. The developed targeting agent is based on polypeptide-graft-polypeptoid polymers (PeptoBrushes) functionalized with trans-cyclooctene (TCO). The complementary In-111-labeled imaging agent is a 1,2,4,5-tetrazine derivative, which can react with aforementioned TCO-modified PeptoBrushes i…
Acute impact of exercise on pro-onflammatory molecule concentrations in blood : factors that affect exercise induce response
2013
Pētījuma mērķis bija izpētīt slodzes intensitātes un ilguma, kā arī fiziskās sagatavotības līmeņa un imobilizācijas ietekmi uz citokīnu un citu slodzes izraisītu signālvielu koncentrācijām asinīs. Kopumā 98 jauni, veseli un fiziski aktīvi vīrieši piedalījās 4 dažādos fiziskās slodzes testos. Asins paraugi citokīnu un citu signālvielu noteikšanai tika ņemti pirms, pēc, kā arī slodzes laikā. Rezultāti liecina, ka akūta fiziskā slodze izraisa iekaisuma molekulu koncentrācijas pieaugumu asinīs. Pieaugot slodzes ilgumam un intensitātei, šī organisma atbildes reakcija pastiprinās, savukārt augstāks fiziskās sagatavotības līmenis šo reakciju samazina. Atkarībā no fiziskās slodzes veida, intensitāt…
Intramolecular Hydrogen Bond, Hirshfeld Analysis, AIM; DFT Studies of Pyran-2,4-dione Derivatives
2021
Intra and intermolecular interactions found in the developed crystals of the synthesized py-ron-2,4-dione derivatives play crucial rules in the molecular conformations and crystal stabili-ties, respectively. In this regard, Hirshfeld calculations were used to quantitatively analyze the different intermolecular interactions in the crystal structures of some functionalized py-ran-2,4-dione derivatives. The X-ray structure of pyran-2,4-dione derivative namely (3E,3′E)-3,3′-((ethane-1,2-diylbis(azanediyl))bis(phenylmethanylylidene))bis(6-phenyl-2H-pyran-2,4(3H)-dione) was determined. It crystallized in the monoclinic crystal system and C2/c space group with unit cell parameters: a = 14.0869(4) …
Mechanistic Study of Stepwise Methylisocyanide Coupling and C-H Activation Mediated by a Low-Valent Main Group Molecule
2013
An experimental and DFT investigation of the mechanism of the coupling of methylisocyanide and C–H activation mediated by the germylene (germanediyl) Ge(ArMe6)2 (ArMe6 = C6H3-2,6(C6H2-2,4,6-Me3)2) showed that it proceeded by initial MeNC adduct formation followed by an isomerization involving the migratory insertion of the MeNC carbon into the Ge–C ligand bond. Addition of excess MeNC led to sequential insertions of two further MeNC molecules into the Ge–C bond. The insertion of the third MeNC leads to methylisocyanide methyl group C–H activation to afford an azagermacyclopentadienyl species. The X-ray crystal structures of the 1:1 (ArMe6)2GeCNMe adduct, the first and final insertion produc…
Novel molecules for the readthrough of PTCs in biological model systems and in cystic fibrosis cells
2016
The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms
2006
Abstract The SO2F2 quasi-spherical top molecule with C2v symmetry is considered as a distorted spherical top deriving from the SO 4 2 − tetrahedral ion. We present here a detailed correspondence between the tensorial formalism using the Td⊃C2v reorientation and the usual Hamiltonian of Watson. We have also performed ab initio calculations in order to determine the centrifugal distorsion constants in the vibrational ground state.
FORMATION OF MOLECULES IN ULTRACOLD ATOMIC GASES VIA QUASI-RESONANT FIELDS
2010
we study the nonlinear mean-field dynamics of diatomic molecule formation at coherent photo- and magneto-association of ultracold atoms focusing on the case when the system is initially in the all-atomic state. We show that in the limit of strongly nonlinear interaction between an ultra-cold atomic-molecular system and a quasi-resonant electromagnetic field, the molecule formation process, depending on the characteristics of the associating field, may evolve according two different scenarios, namely, weak- and strong-oscillatory regimes. In the first case the number of molecules increases without pronounced oscillations of atom-molecule populations, while in the second case high-amplitude R…
Optical hybrid nanocomposite sensors for selective explosive detection
2022
Durant l'última dècada, la detecció d'artefactes explosius improvisats (IEDs) tant en l'àmbit militar com civil s'ha convertit en una prioritat estratègica en la seguretat nacional a causa de la creixent amenaça terrorista. Encara que les tècniques convencionals, com la cromatografia de gasos acoblada a espectrometria de masses o la difracció de raigs X mostren notables avantatges degut a la seua elevada sensibilitat i selectivitat, una gran part d’aquestes presenten inconvenients, com per exemple processos de mesura lents, instrumentació cara, complexa i voluminosa, que limiten el mostreig en continu i en temps real. Per aquesta raó, existeix una recerca constant per trobar una plataforma …
Carbon Monoxide Activation by a Molecular Aluminium Imide: C−O Bond Cleavage and C−C Bond Formation
2020
Anionic molecular imide complexes of aluminium are accessible via a rational synthetic approach involving the reactions of organo azides with a potassium aluminyl reagent. In the case of K 2 [( NON )Al(NDipp)] 2 ( NON = 4,5‐bis(2,6‐di iso propylanilido)‐2,7‐di‐tert‐butyl‐9,9‐dimethyl‐xanthene; Dipp = 2,6‐di iso propylphenyl) structural characterization by X‐ray crystallography reveals a short Al‐N distance, which is thought to be due primarily to the low coordinate nature of the nitrogen centre. The Al‐N unit is highly polar, and capable of the activation of relatively inert chemical bonds, such as those found in dihydrogen and carbon monoxide. In the case of CO, uptake of two molecules of …