Paper
Synthesis, crystal and molecular structure, and characterization of 2-((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide using spectroscopic (1H and 13C NMR, FT-IR, FT-Raman, UV–Vis) and DFT methods and evaluation of its anticancer activity
Published May 1, 2019 · K. Ramaiah, K. Srishailam, K. Laxma Reddy
Journal of Molecular Structure
Q2 SJR score
27
Citations
1
Influential Citations
Abstract
Abstract hidden due to publisher request; this does not indicate any issues with the research. Click the full text link above to read the abstract and view the original source.
In Vitro StudyStudy Snapshot
2-((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide shows promising anticancer activity for human carcinoma cell lines HeLa, IMR-32, and A549, with good agreement between theoretical and experimental parameters.
PopulationOlder adults (50-71 years)
Sample size24
MethodsObservational
OutcomesBody Mass Index projections
ResultsSocial networks mitigate obesity in older groups.
Sign up to use Study Snapshot
Consensus is limited without an account. Create an account or sign in to get more searches and use the Study Snapshot.
Full text analysis coming soon...
References
Synthesis, characterization, optical band gap, in vitro antimicrobial activity and DNA cleavage studies of some metal complexes of pyridyl thiosemicarbazone
Metal complexes of pyridyl thiosemicarbazone show more potent antibacterial activity than the parent ligand and can completely degrade DNA.
2013·88citations·Tarek Ahmed Yousef et al.·Journal of Molecular Structure
Journal of Molecular Structure
Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.
1,2-dichloro-4-nitrobenzene (DCNB) shows microscopic nonlinear optical behavior and charge transfer within the molecule, as determined by ab initio quantum mechanical calculations.
2011·85citations·M. Arivazhagan et al.·Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Raman, FT-IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles
3-Benzoyl-5-chlorouracil (3B5CU) shows potential for nonlinear optical applications due to its high first static hyperpolarisability and strong vibrational modes contributing to its nonlinear optical activity.
2011·129citations·L. Sinha et al.·Molecular Simulation
Molecular Simulation
Synthesis of some new 4(3H)-quinazolinone-2-carboxaldehyde thiosemicarbazones and their metal complexes and a study on their anticonvulsant, analgesic, cytotoxic and antimicrobial activities - part-1.
New thiosemicarbazone derivatives synthesized from 5-iodo anthranilic acid show potential anticonvulsant, analgesic, cytotoxic, and antimicrobial activities.
2010·162citations·M. Aly et al.·European journal of medicinal chemistry
European journal of medicinal chemistry
Theoretical and vibrational studies of 4,5-diphenyl-2-2 oxazole propionic acid (oxaprozin).
Oxaprozin has a first-order hyperpolarizability of 1.117 10 30 esu, and its molecular structure, optical properties, and electronic properties are well-conserved by theoretical and experimental data.
2010·79citations·S. Sagdinc et al.·Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Continuous surface charge polarizable continuum models of solvation. I. General formalism.
The continuous surface charge (CSC) approach provides a smooth and robust formalism for the polarizable continuum model (PCM) family of solvation models, enabling the calculation of solvent effects on energies, structures, vibrational frequencies, magnetic properties, and complex properties like frequency-dependent Raman activities.
2010·2125citations·G. Scalmani et al.·The Journal of chemical physics
The Journal of chemical physics
Synthesis, characterization and derivatization of some novel types of mono- and bis-imidazolidineiminothiones and imidazolidineiminodithiones with antitumor, antiviral, antibacterial and antifungal activities--part I.
Novel mono- and bis-imidazolidineiminothiones and imidazolidineiminodithiones show significant antitumor, antiviral, antibacterial, and antifungal activities.
2009·54citations·A. El‐Sharief et al.·European journal of medicinal chemistry
European journal of medicinal chemistry
Experimental and density functional studies on 4-(3,4-dihydroxybenzylideneamino)antipyrine, and 4-(2,3,4-trihydroxybenzylideneamino)antipyrine
DHBAP and THBAP are structurally similar antipyrine derivates with greater nonlinear optical properties than urea, due to molecular frontier orbitals and pi-electron conjugative effect.
2009·309citations·Yuxi Sun et al.·Journal of Molecular Structure-theochem
Journal of Molecular Structure-theochem
Design, synthesis and characterization of novel 2-(2,4-disubstituted-thiazole-5-yl)-3-aryl-3H-quinazoline-4-one derivatives as inhibitors of NF-kappaB and AP-1 mediated transcription activation and as potential anti-inflammatory agents.
Novel 2-(2,4-disubstituted-thiazole-5-yl)-3-aryl-3H-quinazoline-4-one derivatives show potential as anti-inflammatory agents by inhibiting NF-B and AP-1 mediated transcriptional activation.
2009·137citations·R. Giri et al.·European journal of medicinal chemistry
European journal of medicinal chemistry
Citations
Molecular structure, UV–Visible spectra and other molecular properties of (E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide and its n-methyl variant by using DFT methods
This study demonstrates that the electronic structure and UV-Visible spectra of 2-(2-hydroxy-5-methoxybenzylidene)hydrazinecarbothioamide (HMHC) and its n-methyl variant (HMNHC) accurately match experimental values.
2025·0citations·K. Srishailam et al.·Results in Chemistry
Results in Chemistry
Design, fabrication, and evaluation of green mesoporous hollow magnetic spheres with antibacterial activity
Hollow magnetic spheres with antibacterial properties can be used as a suitable drug carrier for wound healing and cancer treatment due to their antibacterial properties and porous walls.
2024·16citations·Ashkan Farazin et al.·Materials Science and Engineering: B
Materials Science and Engineering: B
Structural and spectroscopic properties as well as prospective applications of 2-N-methylnitramino-5-methyl-4-nitropyridine and its N-oxide
2-N-methylnitramino-5-methyl-4-nitropyridine and its N-oxide show promising structural and spectroscopic properties, with potential applications in electronics and photonics.
2023·0citations·E. Kucharska et al.·Journal of Molecular Structure
Journal of Molecular Structure
Insights into synthesis, structural, energetic, vibrational, anticancer activity and molecular characteristics of 2-((2-aminopyridin-3-yl)methylene)-N-phenylhydrazinecarbothioamide as evaluated using spectroscopic and DFT investigations
APHB shows promising anticancer activity and molecular characteristics, with potential for NLO applications and a bifurcated intramolecular hydrogen bond.
2023·1citation·K. Ramaiah et al.·Journal of Molecular Structure
Journal of Molecular Structure
Quantum Chemical Evaluation on the Structure, Spectroscopic, QSAR Modeling and Topological Insight of Nuarimol
Nuarimol shows promising properties, including drug-likeness, absorption, metabolism, and nontoxicity, and shows inhibitory activity against Trypanosoma Cruzi, the causative agent of chagas disease.
2023·3citations·R. Godwini et al.·Polycyclic Aromatic Compounds
Polycyclic Aromatic Compounds