Results 41 to 50 of about 51,216 (341)

Photocatalytic activity in graded off-valent cations substituted NaNbO3

Heliyon
This study investigates the impact of off-valent doping on the photocatalytic properties of NaNbO3 concerning the degradation of Methylene Blue. Compositions with x values of 0.00 (representing pure NaNbO3, denoted as NBO) and 0.05 within the material ...
Rajbala Nain, R.K. Dwivedi
doaj   +1 more source

مطالعه کوانتومی، ترمودینامیکی،AIMو NBO برهم کنش مولکول نیترامید با AlNNTs خالص و جایگزین شده با B,As,B&As [PDF]

International Journal of New Chemistry, 2019
چکیدهدر این کار با استفاده از نظریه تابع چگالی جذب مولکول نیترامید بر روی سطح نانو لوله آرمچیر (4و4) آلومینیم نیترید خالص و جایگزین شده با B، As و B&As مورد بررسی قرار گرفته است.
Mahdi Rezaei Sameti, Sedigheh Azadi doureh   +1 more
doaj   +1 more source

Natural bond orbital analysis of dication magnesium complexes [Mg(H₂O)₆]²⁺ and [[Mg(H₂O)₆](H₂O)_n]²⁺; n=1-4

AIMS Biophysics, 2023
The metal ion is ubiquitous in the human body and is essential to biochemical reactions. The study of the metal ion complexes and their charge transfer nature will be fruitful for drug design and may be beneficial for the extension of the field.
Ganesh Prasad Tiwari, Santosh Adhikari, Hari Prasad Lamichhane , Dinesh Kumar Chaudhary   +3 more
doaj   +1 more source

Coupled HBO and NBO variations in the Z source GX 5-1: inner accretion disk as the location of QPOs

, 2011
The simultaneous and coupled evolution of horizontal branch oscillation (HBO) and normal branch oscillation (NBO) in Z-type sources suggests that the production of HBO is connected to NBO and is caused by changes in the physical/radiative properties of ...
Alpar, Casella, Christian, Dotani, Hasinger, Hasinger, Homan, Homan, Homan, Homan, Jahoda, Jonker, Kuulkers, Lewin, Lin, McClintock, Miller, Miller, Penninx, Sriram, Sriram, Stella, Titarchuk, Titarchuk, Titarchuk, van der Klis, Wijnands, Wijnands, Wijnands, Wijnands, Wijnands, Yu   +31 more
core   +1 more source

DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges

Scientific Reports
Theoretical research on the keto-enol tautomerization of 2-(2-Hydroxyphenyl)-1-aza azulene (2HPhAZ) and its thiol-thione ( 2MPhAZ) analouge has been performed using the density functional B3LYP method with the 6–311 +  + G(2d,2p) basis set in gas and ...
S. A. Halim, Asmaa B. El-Meligy, A. El‐Nahas, Safinaz H. El-Demerdash   +3 more
semanticscholar   +1 more source

Usefulness of nBos d 4, 5 and nBos d 8 Specific IgE Antibodies in Cow's Milk Allergic Children [PDF]

Allergy, Asthma & Immunology Research, 2014
The aim of study was to assess the value of recombinants in predicting the degree of symptoms in children with and without anaphylaxis to cow's milk.The study included 79 children (70±40 months) referred to the Allergological Unit of the Pediatric Department between the years 2008-2012.
CINGOLANI, ANNA, Di Pillo S, Cerasa M, RAPINO, DANIELE, Consilvio NP, ATTANASI, MARINA, SCAPARROTTA, ALESSANDRA, MARCOVECCHIO, Maria Loredana, MOHN, Angelika Anna, CHIARELLI, Francesco   +9 more
openaire   +3 more sources

The Interaction Strength, Frequency-shifts and Covalence of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl Heterocyclic Complexes

Orbital: The Electronic Journal of Chemistry, 2017
A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton donor center due to ...
Boaz Galdino de Oliveira
doaj   +1 more source

Frequency Variation of the Kilohertz Quasi-periodic Oscillations and the Flux of the Band-limited Noise in Scorpius X-1

, 2008
We study the kilohertz quasi-periodic oscillations (kHz QPOs) and the band-limited noise (BLN) in the 0.5--16 Hz range observed simultaneously on the horizontal branch (HB) and on the upper normal branch (NB) of the brightest neutron star Low-mass X-ray ...
Alpar, Belloni, Bradt, Di Salvo, Ford, Hasinger, Homan, Homan, Horák, Jonker, Kaaret, Kuulkers, Kuulkers, Lai, Lamb, Lewin, Li, Miller, Méndez, Psaltis, Shirakawa, Stella, Titarchuk, Titarchuk, Titarchuk, van der Klis, van der Klis, van der Klis, van der Klis, van-der Klis, Wenfei Yu, Wijnands, Wijnands, Xiaofeng Cao, Yu, Yu, Yu, Yu   +37 more
core   +1 more source

Structural, Spectroscopic, and Chemical Bonding Analysis of Zn(II) Complex [Zn(sal)](H2O): Combined Experimental and Theoretical (NBO, QTAIM, and ELF) Investigation

Crystals, 2020
The Zn(II) complex of salen-like scaffold [Zn(sal)](H2O) was synthesized and characterized by elemental analysis, IR, UV–Vis, and 1H-NMR spectroscopic techniques. The structure of complex was confirmed by single crystal X-ray diffraction studies.
M. Usman, R. A. Khan, A. Alsalme, Walaa Alharbi, Khadijah H. Alharbi, Mohammad H. Jaafar, Maymonah Abu Khanjer, S. Tabassum   +7 more
semanticscholar   +1 more source

Thiosulfonate‐Derived BODIPY “Stick and Glue” Strategy for Fluorescent Thiol Labeling

Angewandte Chemie, EarlyView.
We present a powerful photochemical strategy for converting disulfide bonds into stable thioether linkages via a [1,2]‐sigmatropic rearrangement. By integrating this reaction into traditional methanethiosulfonate‐based thiol labeling, we enable light‐triggered stabilization of peptide and protein conjugates with enhanced robustness and versatility ...
Lucie Šálková, David Dunlop, B. Buse Tütüncü, Zdeněk Knejzlík, Tomáš Slanina   +4 more
wiley   +2 more sources