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Spectroscopic (FT-IR, NMR, single crystal XRD) and DFT studies including FMO, Mulliken charges, and Hirshfeld surface analysis, molecular docking and ADME analyses of 2-amino-4 -fluorobenzophenone (FAB)
(2022)
In this work, synthesis, and crystal structure of molecule 2-amino-4 -fluorobenzophenone (FAB) is con- firmed by using FT-IR, FT-Raman, 1 H and 13 C NMR chemical shifts, compared with calculated parameters using B3LYP/ ...
Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity
(2022)
The new structure for B8N8 nanocage was revealed. This structure is completely different from the known
structure. The structural properties of investigated structures were investigated and compared with each other.
The ...
Antimicrobial and antibiofilm activities and bovine serum albumin binding properties of benzimidazolium derivative NHC salts and their Ag(I)-NHC complexes
(December 2)
Benzimidazole type N-heterocyclic carbene molecules and their metal complexes have well-known biological activity. Elemental silver and silver complexes also have antibacterial and antifungal activity. In this study, ...
Assessment of Pulmonary Arterial Stiffness in Patients with Systemic Sclerosis without Overt Pulmonary Hypertension
(2022)
Pulmonary hypertension (PH) is a pathophysiological disorder that may involve multiple clinical conditions and complicate
most systemic diseases. Systemic sclerosis (SSc), represents the leading cause of connective tissue ...
Systematic optical study of high-x InxGa1-xAs/InP structures for infrared photodetector applications
(10.12.2022)
Optical and structural properties in high-x InxGa1-xAs (x > 0.65) samples with varying indium concentration
grown on InP (100) substrate are reported. By increasing the indium fraction, it was found by the high-resolution
X-ray ...
In-situ thermal cleaning of the sapphire substrate and temperature effect on epitaxial AlN
(3.09.2022)
The impact of thermal surface cleaning on epitaxial AlN thin films grown on sapphire is investigated in this study
at various temperatures. The sapphire substrate is cleaned in a hydrogen environment. Structural, optical, ...
Anti-corrosion behavior of 2-((3-(2-morpholino ethylamino) -N3-((pyridine-2-yl)methyl)propylimino)methyl)pyridine and its reduced form on Carbon Steel in Hydrochloric Acid solution: Experimental and theoretical studies
(2022)
A comparative investigation of the corrosion inhibition of two ligands, 2-((3-(2-morpholinoethylamino)-N3-
((pyridine-2-yl)methyl) propylimino) methyl)pyridine (SB) and N1-(2-morpholinoethyl)-N1,N3-bis(pyridine-2-
ylme ...
Experimental and theoretical investigation of corrosion inhibition effect of two piperazine-based ligands on carbon steel in acidic media
(2022)
In this study, the corrosion of carbon steel in 1.0 M HCl solutions containing either 1,4-bis(2-(2-hydroxyethyliminomethyl)
phenyl)piperazine (1) or its reduced form, 1,4-bis(2-(2-hydroxyethylaminomethyl)phenyl)piperazine
(2), ...
Synthesis of diaryl urea derivatives and evaluation of their antiproliferative activities in colon adenocarcinoma
(2022)
Colon cancer is one of the leading causes of cancer-related deaths today. Serious research for ideal chemotherapy continues today. In this context, newly synthesized molecules have an essential role in cancer treatment ...
Determination of structural, spectral, computational and OLED properties of Ex2.2Box2+ Cyclophane and its derivatives: Experimental and computational study
(2022)
Ex 2.2 Box 2 + Cyclophane was synthesized, and spectral characterization of this compound was completed
by using 1 H, 13 CNMR, and ESI-MS spectroscopy. Furthermore, this compound and its seven derivatives
were investigated ...