Heteronuclear 13C, 15N and 17O NMR cross-correlations of 4-substituted benzamide derivatives: importance of the average excitation energy term ωE in NMR substituent effects

1997 ◽  
pp. 1551-1554 ◽  
Author(s):  
Michael De Rosa
Keyword(s):  
Excitation Energy ◽  
Substituent Effects ◽  
Energy Term ◽  
17O Nmr ◽  
Cross Correlations ◽  
Substituted Benzamide ◽  
Average Excitation Energy ◽  
Benzamide Derivatives

Design, Synthesis of Some New N-(2-fluoro-4-morpholin-4-yl-phenyl)-Substituted-Benzamide Derivatives and Screening of Their Microbial Activities

2020 ◽  
pp. 1-11
Author(s):  
Murtaza A. Patharia ◽  
Santosh V. Raut ◽  
Bharat K. Dhotre ◽  
Mohammad Arif Pathan
Keyword(s):  
Microbial Activities ◽  
Design Synthesis ◽  
Substituted Benzamide ◽  
Benzamide Derivatives

Amino-Substituted Benzamide Derivatives as Promising Antioxidant Agents: A Combined Experimental and Computational Study

2018 ◽  
Vol 31 (9) ◽  
pp. 974-984 ◽  
Author(s):  
Nataša Perin ◽  
Petra Roškarić ◽  
Irena Sović ◽  
Ida Boček ◽  
Kristina Starčević ◽  
...  
Keyword(s):  
Computational Study ◽  
Antioxidant Agents ◽  
Substituted Benzamide ◽  
Benzamide Derivatives

The stopping powers of atoms and molecules

1965 ◽  
Vol 285 (1402) ◽  
pp. 457-459 ◽  
Keyword(s):  
Excitation Energy ◽  
Charged Particles ◽  
Atoms And Molecules ◽  
Slowing Down ◽  
Average Excitation Energy

A procedure is described for calculating the average excitation energy of an atom or molecule appropriate to the slowing down of a beam of charged particles in a gas. The procedure is applied to helium with the result that its average excitation energy is 42∙0 eV.

Determining average excitation energy

1990 ◽  
Vol 242 (3-4) ◽  
pp. 309-312 ◽  
Author(s):  
William A. Friedman
Keyword(s):  
Excitation Energy ◽  
Average Excitation Energy

17O NMR spectroscopy: unusual substituent effects in -substituted benzyl alcohols and acetates

1984 ◽  
Vol 25 (2) ◽  
pp. 169-172 ◽  
Author(s):  
P. Balakrishnan ◽  
A.L. Baumstark ◽  
D.W. Boykin
Keyword(s):  
Nmr Spectroscopy ◽  
Substituent Effects ◽  
17O Nmr ◽  
Benzyl Alcohols ◽  
17O Nmr Spectroscopy

scholarly journals Structure-Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline

2019 ◽  
Author(s):  
Sophya Alamudun ◽  
Kyle Tanovitz ◽  
April Fajardo ◽  
Kaitlind Johnson ◽  
Andy Pham ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Excitation Energy ◽  
Systematic Study ◽  
Experimental Studies ◽  
Substituent Effects ◽  
Vertical Excitation ◽  
Vertical Excitation Energy ◽  
Heterocyclic Aromatics ◽  
A Charge

<p>Photobases are compounds which become strong bases after electronic excitaton into a charge-transfer excited state. Recent experimental studies have highlighted the photobasicity of the 5-R quinoline compounds, demonstrating a strong substituent dependence to the pK<sub>a</sub><sup>*</sup>. Here we describe our systematic study of how the photobasicity of four families of nitrogen-containing heterocyclic aromatics are tuned through substituents. We show that substituent position and identity both significantly impact the pK<sub>a</sub><sup>*</sup>. We demonstrate that the substituent effects are additive and identify many disubstituted compounds with substantially greater photobasicity than the most photobasic 5-R quinoline compound identified previously. We show that the addition of a second fused benzene ring to quinoline, along with two electron-donating substituents, lowers the vertical excitation energy into the visible while still maintaining a pK<sub>a</sub><sup>*</sup> > 14. Overall, the structure-function relationships developed in this study provide new insights to guide the development of new photocatalysts that employ photobasicity. </p>

scholarly journals An Analysis of the Substituent Effects on 13C and 17O NMR Chemical Shifts of Some 5-Substituted 2-Acetylthiophenes by Linear Free Energy Relationships.

1993 ◽  
Vol 47 ◽  
pp. 160-166 ◽  
Author(s):  
Domenico Spinelli ◽  
Liliana Lamartina ◽  
Stefano Chimichi ◽  
Renato Noto ◽  
Giovanni Consiglio ◽  
...  
Keyword(s):  
Free Energy ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Linear Free Energy Relationships ◽  
17O Nmr ◽  
Nmr Chemical Shifts ◽  
Linear Free Energy ◽  
Energy Relationships

Synthesis of N-Substituted Benzamide Derivatives and their Evaluation as Antitumor Agents

2020 ◽  
Vol 16 (4) ◽  
pp. 555-562
Author(s):  
Taiping Chen ◽  
Hongwu Jiang ◽  
Jianjun Zhou ◽  
Zicheng Li ◽  
Wencai Huang ◽  
...  
Keyword(s):  
Cell Lines ◽  
Cancer Cell ◽  
Antitumor Agents ◽  
Cancer Cell Lines ◽  
Zinc Ion ◽  
Molecular Docking Study ◽  
Chemical Structures ◽  
Substituted Benzamide ◽  
Benzamide Derivatives ◽  
Antiproliferative Activities

Background: Histone deacetylases inhibitors (HDACIs) with different chemical structures have been reported to play an important role in the treatment of cancer. Objective: The study aims to modify the structure of Entinostat (MS-275) to discover new compounds with improved anti-proliferative activities and perform SAR studies on this class of bioactive compounds. Methods: Fourteen N-substituted benzamide derivatives were synthesized and their antiproliferative activities were tested with four cancer cell lines (MCF-7, A549, K562 and MDA-MB- 231) by MTT assay. Results: Compared with MS-275, six compounds exhibited comparable or even better antiproliferative activities against specific/certain cancer cell lines. Conclusion: The preliminary SARs showed that (ⅰ) the 2-substituent of the phenyl ring in the R group and heteroatoms of amide which can chelate with zinc ion are critical to the antiproliferative activity and (ⅱ) chlorine atom or nitro-group on the same benzene ring largely decreases their anti-proliferative activity. Molecular docking study illustrated the interaction (binding affinity) between the synthesized compounds and HDAC2 was observed to be similar to that of MS-275.

Assessment of substituent effects for ortho-nitrobenzenes and 2,4-dinitrobenzenes by IR and 17O NMR spectroscopy

1996 ◽  
Vol 382 (2) ◽  
pp. 93-99 ◽  
Author(s):  
Alexander Perjéssy ◽  
Danuta Rasala ◽  
Ryszard Gawinecki ◽  
David W. Boykin
Keyword(s):  
Nmr Spectroscopy ◽  
Substituent Effects ◽  
17O Nmr ◽  
17O Nmr Spectroscopy
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