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Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes
(Amer Inst Physics, Melville, 2015)
Herein, we present the systematic, comparative computational study of the d - d transitions in a series of first row transition metal hexaaqua complexes, [M(H2O)(6)](n+) (M2+/3+ = V2+/3+, Cr2+/3+, Mn2+/3+, Fe2+/3+, Co2+/3+, ...
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
(Wiley-V C H Verlag Gmbh, Weinheim, 2015)
In this work we have analyzed in detail the magnetic anisotropy in a series of hydrotris(pyrazolyl)borate (Tp(-)) metal complexes, namely [VTpCl](+), [CrTpCl](+), [MnTpCl](+), [FeTpCl], [CoTpCl], and [NiTpCl], and their ...
Influence of sintering temperature on low level laser (LLL) destruction of low cement high alumina refractory concrete
(Elsevier, 2015)
Low level laser (LLL) was applied to induct destruction of the low cement high alumina refractory concrete (LCC) samples. Three different series of samples were used in the experiment: a reference one dried at 105 degrees ...
Resistance to common organophosphate and carbamate insecticides in Aphis pomi (Hemiptera: Aphididae)
(Edp Sciences S A, Les Ulis Cedex A, 2015)
Introduction. Aphis pomi (De Geer) has developed resistance to organophosphate and carbamate insecticides, as a result of long-term application of these insecticides in conventional apple orchards. For many years, the only ...
Phycocyanobilin, a bioactive tetrapyrrolic compound of blue-green alga Spirulina, binds with high affinity and competes with bilirubin for binding on human serum albumin
(Royal Soc Chemistry, Cambridge, 2015)
Human serum albumin (HSA) is an important regulator of the pharmacokinetic properties of bioactive compounds. Phycocyanobilin is a blue tetrapyrrole chromophore of C-phycocyanin with proven health-promoting activities. ...
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
(Wiley-VCH Verlag Gmbh, Weinheim, 2015)
In this work we have analyzed in detail the magnetic anisotropy in a series of hydrotris(pyrazolyl)borate (Tp(-)) metal complexes, namely [VTpCl](+), [CrTpCl](+), [MnTpCl](+), [FeTpCl], [CoTpCl], and [NiTpCl], and their ...
Nutraceutical properties of the methanolic extract of edible mushroom Cantharellus cibarius (Fries): primary mechanisms
(Royal Soc Chemistry, Cambridge, 2015)
The methanolic extract of the wild edible mushroom Cantharellus cibarius Fr. (chanterelle) was analyzed for in vitro antioxidative, cytotoxic, antihypertensive and antibacterial activities. Various primary and secondary ...
Biological potential of extracts of the wild edible Basidiomycete mushroom Grifola frondosa
(Elsevier, 2015)
Partially purified polysaccharides (FP) and hot alkali extract (FNa) obtained from fruiting bodies of the wild basidiomycete Grifola frondosa were examined for their antimicrobial, antioxidant and cytotoxic activity. The ...
Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
(Royal Soc Chemistry, Cambridge, 2015)
A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists ...
Studies of the Iranian Medieval Ceramics Surface Modified by Pulsed Tea CO2 and Nd:YAG Lasers
(Elsevier Ltd and Techna Group S.r.l., 2015)
This paper presents the results of the morphological and chemical changes on the surface of an Iranian ceramics sample irradiated by a Transversely Excited Atmospheric (TEA) CO2 and an Nd:YAG laser. The sample originates ...