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Dawson- and Lindqvist-Type Hybrid Polyoxometalates: Synthesis, Characterization and Ca2+-ATPase Inhibition Potential Open
Polyoxometalates (POMs) represent a broad class of anionic inorganic (V, Mo, W) clusters with versatile structures of chemical and physical properties. POMs are inhibitors of many enzymes, including P-type ATPases, well-known to be a targe…
Synthesis, DFT Studies, and Molecular Docking Analysis of a Novel Acylpyrazolone Schiff Base and Its Metal(II) Complexes Open
Novel Schiff base ligand 1,5‐dimethyl‐4‐((1‐(3‐methyl‐5‐oxo‐1‐phenyl‐1,5‐dihydro‐4H‐pyrazol‐4‐ylidene)butyl)amino)‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one was synthesized by the condensation reaction between 4‐acylpyrazol‐5‐one and 4‐aminoan…
Design and Characterization of Mixed Ligand Mn (II) Complex With 4‐Iodo‐Pyridine‐2‐Carboxylic Acid for Enhanced Nonlinear Optical Applications: A Theoretical and Experimental Approach Open
Pyridine‐2‐carboxylic acid derivatives have emerged as promising candidates for nonlinear optical (NLO) applications due to their strong optical nonlinearity, thermal stability, and diverse coordination chemistry. In this study, we synthes…
Alkyne Allied Schiff‐Base Synthesis for the Tin(II) Detection via UV–Visible and Fluorescence Sensor Along With Their Cytotoxicity Assessment and Antibreast Cancer Activity Against 17Beta‐HSD1 Using Molecular Docking Open
Breast cancer continues to be a devastating disease worldwide, highlighting the critical need for new and effective treatments. Schiff bases are increasingly being used as powerful medications for a number of disorders. The current investi…
Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol Open
The title molecule, C 13 H 17 Cl 2 FO 3 , crystallizes in the orthorhombic space group P 2 1 2 1 2 1 with one molecule in the asymmetric unit. The skeleton of the molecule exhibits an anti conformation with a C—C—C—C(Ph) torsion angle of −…
View article: Computational and Experimental Exploration of Di‐Iodo‐Based Schiff Bases as Esterase Inhibitors: Single Crystal and Spectral Insights
Computational and Experimental Exploration of Di‐Iodo‐Based Schiff Bases as Esterase Inhibitors: Single Crystal and Spectral Insights Open
The current study was aimed at synthesizing ( E )‐2‐(((3‐hydroxy‐4‐methylphenyl)imino)methyl)‐4,6‐diiodophenol ( 1 ) and ( E )‐3‐((2‐hydroxy‐3,5‐diiodobenzylidene)amino)‐4‐methylbenzoate ( 2 ). The modern spectral tools like UV–Vis, FTIR, …
Organosilane Functionalized Graphene Oxide Nanocomposite as Fluorescent Chemosensor for the Detection of Tyrosine in Aqueous Medium Open
In the present article, a selective and efficient sensor based on organosilane functionalized graphene oxide nanocomposites has been synthesized for the fluorometric detection of tyrosine (Tyr). The 1,2,3‐triazole functionalized organosila…
Pseudoagostic Interaction Based Zirconium Sensing Using 1,2,3‐Triazole and Its Anticarcinogenic Potential Evaluation Through In Vitro and In Silico Approach Open
With excellent yield, high selectivity, and sensitivity new 1,4‐disubstituted 1,2,3‐triazoles ( 8a ) and ( 8b ) were synthesized via Cu(I) catalyzed click reaction stitching the hydrazone tethered azide moiety with two different alkyne pro…
Review of: "Synthesis of 1, 2-Disubstituted Benzimidazoles at Ambient Temperature Catalyzed by 1-Methylimidazolium Tetraflouroborate ([Hmim] BF_4) and Investigating Their Anti-ovarian Cancer Properties Through Molecular Docking Studies and Calculations" Open
Potential competing interests: No potential competing interests to
Inhibition Success of a Virtually Created Molecule: Pseudoeriocitrin and Femtomolar Inhibition Open
1. Why DFT-B3LYP-6-31G(d) basis set of theory is used for the investigation? 2. What is the methodology used to select proteins in molecular docking? 3. It would be appropriate to increase the number of references by making more up-to-date…
CCDC 1050593: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2296286: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2096586: Experimental Crystal Structure Determination
CCDC 2096586: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2201144: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …