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The influence of Eu doping (0.5, 1 and 2 mol.%) and annealing in an oxygen-deficient atmosphere on the structure and optical properties of SnO2 nanoparticles were investigated in relation to electronic structure. The X-ray diffraction (XRD) patterns revealed single-phase tetragonal rutile structure for both synthesized and annealed Eu-doped SnO2 samples, except for the annealed sample with 2 mol.% Eu. The results of X-ray photoelectron spectroscopy (XPS) emphasized that europium incorporated into the SnO2 host lattice with an oxidation state of 3+, which was accompanied by the formation of oxygen vacancies under cation substitution of tetravalent Sn. Moreover, XPS spectra showed the O/Sn ratio, which has been reduced under annealing for creating additional oxygen vacancies. The pulse cathodoluminescence (PCL) demonstrated the concentration dependence of Eu site symmetry. Combination of XRD, XPS and PCL revealed that Eu doping and following annealing induce strongly disordering of the SnO2 crystal lattice. Our findings provide new insight into the interaction of rare-earth metals (Eu) with host SnO2 matrix and new evidence for the importance of oxygen vacancies for optical and electronic structure formation.

Gd3+ and Sm3+ co-activation, the effect of cation substitutions and the creation of cation vacancies in the scheelite-type framework are investigated as factors influencing luminescence properties. AgxGd((2−x)/3)−0.3−ySmyEu3+0.3☐(1−2x)/3WO4 (x = 0.50, 0.286, 0.20; y = 0.01, 0.02, 0.03, 0.3) scheelite-type phases (AxGSyE) have been synthesized by a solid-state method. A powder X-ray diffraction study of AxGSyE (x = 0.286, 0.2; y = 0.01, 0.02, 0.03) shows that the crystal structures have an incommensurately modulated character similar to other cation-deficient scheelite-related phases. Luminescence properties have been evaluated under near-ultraviolet (n–UV) light. The photoluminescence excitation spectra of AxGSyE demonstrate the strongest absorption at 395 nm, which matches well with commercially available UV-emitting GaN-based LED chips. Gd3+ and Sm3+ co-activation leads to a notable decreasing intensity of the charge transfer band in comparison with Gd3+ single-doped phases. The main absorption is the 7F0 → 5L6 transition of Eu3+ at 395 nm and the 6H5/2 → 4F7/2 transition of Sm3+ at 405 nm. The photoluminescence emission spectra of all the samples indicate intense red emission due to the 5D0 → 7F2 transition of Eu3+. The intensity of the 5D0 → 7F2 emission increases from ~2 times (x = 0.2, y = 0.01 and x = 0.286, y = 0.02) to ~4 times (x = 0.5, y = 0.01) in the Gd3+ and Sm3+ co-doped samples. The integral emission intensity of Ag0.20Gd0.29Sm0.01Eu0.30WO4 in the red visible spectral range (the 5D0 → 7F2 transition) is higher by ~20% than that of the commercially used red phosphor of Gd2O2S:Eu3+. A thermal quenching study of the luminescence of the Eu3+ emission reveals the influence of the structure of compounds and the Sm3+ concentration on the temperature dependence and behavior of the synthesized crystals. Ag0.286Gd0.252Sm0.02Eu0.30WO4 and Ag0.20Gd0.29Sm0.01Eu0.30WO4, with the incommensurately modulated (3 + 1)D monoclinic structure, are very attractive as near-UV converting phosphors applied as red-emitting phosphors for LEDs.

Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (Kd~ 30 pM) of human carbonic anhydrase II.

Gd and Sm co-activation, the effect of cation substitutions and the creation of cation vacancies in the scheelite-type framework are investigated as factors influencing luminescence properties. Ag Gd Sm Eu ☐ WO ( = 0.50, 0.286, 0.20; = 0.01, 0.02, 0.03, 0.3) scheelite-type phases (A GS E) have been synthesized by a solid-state method. A powder X-ray diffraction study of A GS E ( = 0.286, 0.2; = 0.01, 0.02, 0.03) shows that the crystal structures have an incommensurately modulated character similar to other cation-deficient scheelite-related phases. Luminescence properties have been evaluated under near-ultraviolet (n-UV) light. The photoluminescence excitation spectra of A GS E demonstrate the strongest absorption at 395 nm, which matches well with commercially available UV-emitting GaN-based LED chips. Gd and Sm co-activation leads to a notable decreasing intensity of the charge transfer band in comparison with Gd single-doped phases. The main absorption is the F → L transition of Eu at 395 nm and the H → F transition of Sm at 405 nm. The photoluminescence emission spectra of all the samples indicate intense red emission due to the D → F transition of Eu . The intensity of the D → F emission increases from ~2 times ( = 0.2, = 0.01 and = 0.286, = 0.02) to ~4 times ( = 0.5, = 0.01) in the Gd and Sm co-doped samples. The integral emission intensity of Ag Gd Sm Eu WO in the red visible spectral range (the D → F transition) is higher by ~20% than that of the commercially used red phosphor of Gd O S:Eu . A thermal quenching study of the luminescence of the Eu emission reveals the influence of the structure of compounds and the Sm concentration on the temperature dependence and behavior of the synthesized crystals. Ag Gd Sm Eu WO and Ag Gd Sm Eu WO , with the incommensurately modulated (3 + 1)D monoclinic structure, are very attractive as near-UV converting phosphors applied as red-emitting phosphors for LEDs.

Gd[sup.3+] and Sm[sup.3+] co-activation, the effect of cation substitutions and the creation of cation vacancies in the scheelite-type framework are investigated as factors influencing luminescence properties. AgxGd[sub.((2−x)/3)−0.3−y]SmyEu[sup.3+] [sub.0.3]☐[sub.(1−2x)/3]WO[sub.4] (x = 0.50, 0.286, 0.20; y = 0.01, 0.02, 0.03, 0.3) scheelite-type phases (AxGSyE) have been synthesized by a solid-state method. A powder X-ray diffraction study of AxGSyE (x = 0.286, 0.2; y = 0.01, 0.02, 0.03) shows that the crystal structures have an incommensurately modulated character similar to other cation-deficient scheelite-related phases. Luminescence properties have been evaluated under near-ultraviolet (n–UV) light. The photoluminescence excitation spectra of AxGSyE demonstrate the strongest absorption at 395 nm, which matches well with commercially available UV-emitting GaN-based LED chips. Gd[sup.3+] and Sm[sup.3+] co-activation leads to a notable decreasing intensity of the charge transfer band in comparison with Gd[sup.3+] single-doped phases. The main absorption is the [sup.7]F[sub.0] → [sup.5]L[sub.6] transition of Eu[sup.3+] at 395 nm and the [sup.6]H[sub.5/2] → [sup.4]F[sub.7/2] transition of Sm[sup.3+] at 405 nm. The photoluminescence emission spectra of all the samples indicate intense red emission due to the [sup.5]D[sub.0] → [sup.7]F[sub.2] transition of Eu[sup.3+]. The intensity of the [sup.5]D[sub.0] → [sup.7]F[sub.2] emission increases from ~2 times (x = 0.2, y = 0.01 and x = 0.286, y = 0.02) to ~4 times (x = 0.5, y = 0.01) in the Gd[sup.3+] and Sm[sup.3+] co-doped samples. The integral emission intensity of Ag[sub.0.20]Gd[sub.0.29]Sm[sub.0.01]Eu[sub.0.30]WO[sub.4] in the red visible spectral range (the [sup.5]D[sub.0] → [sup.7]F[sub.2] transition) is higher by ~20% than that of the commercially used red phosphor of Gd[sub.2]O[sub.2]S:Eu[sup.3+]. A thermal quenching study of the luminescence of the Eu[sup.3+] emission reveals the influence of the structure of compounds and the Sm[sup.3+] concentration on the temperature dependence and behavior of the synthesized crystals. Ag[sub.0.286]Gd[sub.0.252]Sm[sub.0.02]Eu[sub.0.30]WO[sub.4] and Ag[sub.0.20]Gd[sub.0.29]Sm[sub.0.01]Eu[sub.0.30]WO[sub.4], with the incommensurately modulated (3 + 1)D monoclinic structure, are very attractive as near-UV converting phosphors applied as red-emitting phosphors for LEDs.

The influence of Eu doping (0.5, 1 and 2 mol.%) and annealing in an oxygen-deficient atmosphere on the structure and optical properties of SnO nanoparticles were investigated in relation to electronic structure. The X-ray diffraction (XRD) patterns revealed single-phase tetragonal rutile structure for both synthesized and annealed Eu-doped SnO samples, except for the annealed sample with 2 mol.% Eu. The results of X-ray photoelectron spectroscopy (XPS) emphasized that europium incorporated into the SnO host lattice with an oxidation state of 3+, which was accompanied by the formation of oxygen vacancies under cation substitution of tetravalent Sn. Moreover, XPS spectra showed the O/Sn ratio, which has been reduced under annealing for creating additional oxygen vacancies. The pulse cathodoluminescence (PCL) demonstrated the concentration dependence of Eu site symmetry. Combination of XRD, XPS and PCL revealed that Eu doping and following annealing induce strongly disordering of the SnO crystal lattice. Our findings provide new insight into the interaction of rare-earth metals (Eu) with host SnO matrix and new evidence for the importance of oxygen vacancies for optical and electronic structure formation.

The influence of Eu doping (0.5, 1 and 2 mol.%) and annealing in an oxygen-deficient atmosphere on the structure and optical properties of SnO[sub.2] nanoparticles were investigated in relation to electronic structure. The X-ray diffraction (XRD) patterns revealed single-phase tetragonal rutile structure for both synthesized and annealed Eu-doped SnO[sub.2] samples, except for the annealed sample with 2 mol.% Eu. The results of X-ray photoelectron spectroscopy (XPS) emphasized that europium incorporated into the SnO[sub.2] host lattice with an oxidation state of 3+, which was accompanied by the formation of oxygen vacancies under cation substitution of tetravalent Sn. Moreover, XPS spectra showed the O/Sn ratio, which has been reduced under annealing for creating additional oxygen vacancies. The pulse cathodoluminescence (PCL) demonstrated the concentration dependence of Eu site symmetry. Combination of XRD, XPS and PCL revealed that Eu doping and following annealing induce strongly disordering of the SnO[sub.2] crystal lattice. Our findings provide new insight into the interaction of rare-earth metals (Eu) with host SnO[sub.2] matrix and new evidence for the importance of oxygen vacancies for optical and electronic structure formation.

Combinatorial smal lmolecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations.

Despite remarkable progress, mainly due to the development of LCP and ‘bicelle’ crystallization, lack of structural information remains a bottleneck in membrane protein (MP) research. A major reason is the absence of complete understanding of the mechanism of crystallization. Here we present small-angle scattering studies of the evolution of the “bicelle” crystallization matrix in the course of MP crystal growth. Initially, the matrix corresponds to liquid-like bicelle state. However, after adding the precipitant, the crystallization matrix transforms to jelly-like state. The data suggest that this final phase is composed of interconnected ribbon-like bilayers, where crystals grow. A small amount of multilamellar phase appears, and its volume increases concomitantly with the volume of growing crystals. We suggest that the lamellar phase surrounds the crystals and is critical for crystal growth, which is also common for LCP crystallization. The study discloses mechanisms of “bicelle” MP crystallization and will support rational design of crystallization.

In this work two approaches to the synthesis of energetic complex compound Ni(Im)6(NO3)2 from imidazole and nicklel (II) nitrate were applied: a traditional synthesis from solution and a solvent-free melting-assisted method. According to infrared spectroscopy, X-ray diffraction, elemental and thermal analysis data, it was shown that the solvent-free melt synthesis is a faster, simpler and environmentally friendly method of Ni(Im)6(NO3)2 preparation. The results show that this compound is a promising precursor for the production of nanocrystalline Ni-NiO materials by air-assisted combustion method. The combustion of this complex together with inorganic supports makes it possible to synthesize supported nickel catalysts for different catalytic processes.