S-NICS Investigation for Heterocyclic Anticancer Compounds

Mohammadian, Nayer; Zare, Karim; Monajjemi, Majid

doi:10.13005/ojc/330402

Cited by 6 publications

(8 citation statements)

References 12 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…23 In attention to the applications of elastomeric nanocomposites, the considerable properties of the compound are viscoelastic and cure behavior mainly. 24 Many researches have been concluded that the optimum cure time of the rubbers filled with carbon reinforcements is lower than the unfilled ones. Reduction in the optimum cure time (t 10 ), thanks to the carbon-based fillers are played an accelerated role in the reaction between the sulfur and rubber compounds.…”

Section: Introductionmentioning

confidence: 99%

“…Stress relaxation is the decay of stress with time under conditions of constant strain. Mohammadian-Gezaz and Karrabi 24 reported that in natural rubber (NR) compounds filled with organoclay (OC), with raising nanoparticle content, led to a higher initial relaxation modulus. In another study, they concluded that the enhancing of OC to the NR compounds increased both the elastic and viscous slopes in the relaxation curve, which is the cured samples had a higher elastic slope and a lower viscous slope than uncured ones.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Effects of two types of nanoparticles on the cure, rheological, and mechanical properties of rubber nanocomposites based on the NBR/PVC blends

Barghamadi

Karrabi

Ghoreishy

et al. 2019

J of Applied Polymer Sci

View full text Add to dashboard Cite

The effects of graphene nanoplatelet (GNP) and organoclay montmorillonite (OMMT) on the curing, relaxation, and the mechanical properties of acrylonitrile‐butadiene rubber/polyvinyl chloride (NBR/PVC) nanocomposites were investigated. Scorch and cure times of nanocomposites reinforced with GNP increased, while these parameters for nanocomposites reinforced with OMMT decreased. Maximum torque and cure rate increased after adding the nanoparticles. In the relaxation curves, with increasing nanoparticle and acrylonitrile (ACN) content, both the slopes of short‐ and long‐term regions, raised. Cured compounds have the significantly higher initial and final modulus, the greater elastic slope, and lower viscous slope than the uncured ones. The results of the relaxation test showed that the relaxation percentage in the uncured samples was much higher than the cured ones. Also, with the addition of both GNP and OMMT, this parameter had an upward trend. DGS/DGL parameter increased with the addition of nano‐reinforcements in the uncured state while decreasing in the cured state. For example, the blend containing N3 reinforced via GNP showed an 11% increase in the uncured state, whereas 14% reduction in the cured state. Tensile strength, elastic modulus, and hardness were improved by incorporating nanoparticles, while the effect of GNP was more intense. The similar trend observed in samples with NBR type of higher ACN content. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47550.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Effects of two types of nanoparticles on the cure, rheological, and mechanical properties of rubber nanocomposites based on the NBR/PVC blends

Barghamadi

Karrabi

Ghoreishy

et al. 2019

J of Applied Polymer Sci

View full text Add to dashboard Cite

show abstract

“…Heterocyclic compound played a vital actions in the metabolism of all cells; 6 (or sometimes 5) membered hetero-cycles including one to three heteroatoms. Recently, imidazole fragment has been attracting much concentration because of its role as attractive scaffold for biochemical active heterocyclic drugs (Mohammadian, N. K. et al, 2017).…”

Section: Introductionmentioning

confidence: 99%

Aromaticity study of heterocyclic anticancer compounds through computational s-nics method

Shekarkhand

Zare

Monajjemi

et al. 2020

Nexo Revista Científica

Self Cite

View full text Add to dashboard Cite

In this study, we have sujessted a theoritical aproach via computing of nucleus-independent chemical shifts (S-NICS) in view point of probes motions in a sphere of de-shielding and shielding spaces of rings of anticancer contain heterocyclic rings. Few research in theoretical of a statistical approach in NMR shielding and nucleus independent chemical shifts for study of anticancer drugs. S-NICS method is an accurate method for estimation the amount of aromaticity in the non-benzene rings such as heterocyclic rings which is a famous for organic chemical compounds as anti-cancer disease. Theoretical of a statistical method of NICS-nucleus independent chemical shift in small distance and are alternate in large distance in the center of heterocyclic rings. In this research, we have explored the statistical approaches through nucleus-independent chemical shifts-SNICS calculations in view point of Bq motions in the center of sphere spaces of heterocyclic rings of some anticancer drugs. The S-NICS method is an accurate computing method for estimation the aromaticity in the non-benzene rings such as heterocyclic rings which are standard molecules in organic anti-cancer compounds. Although NICS values for benzene and naphthalene and so on can be indicated as aromaticity criterion, for other molecules such as heterocyclic rings and their derivatives, S-NICS values are much more accurate compare to NICS index. Hetrocyclic compound with good π stacks are good cacdidate for anticancer medicines. Precence of Nitrogen, oxygen and sulfur in these compounds make them similar biochemical parts such as nuclice acids and. Aromaticity of heterocyclic ring. This similarity especially them π stacks give the the ability of interaction with DNAs and RNAs and the heterocyclic compounds.

show abstract

“…Electrical conductivity of the Na-GO increases, Because of the electron donor nature of the Na 33 . Based on some previous studies we have used several methods to simulate the NIBs and calculated the NMR, solvent effect 24 , voltages, charges and physical properties of our model [32][33][34][35][36][37][38][39][40][41][42][43][77][78][79][80][81] .Typical commercially 31 used sodium -ion battery including several interconnected 32 electrochemical cells, where each one consist of a GO anode, a cathode formed 30 by sodium metal oxide (NaCoO 2 ) and electrolyte same as NaPF 6 embedded in a separator felt 29 . In liquid phase, the temperature related of diffusion 45 is less than the solid form.…”

Section: Introductionmentioning

confidence: 99%

Lithium Including Mixed Sodium Inside Graphene Oxide (GO) as Anodic Electrodes for ion Batteries

Monajjemi¹,

Ziglari²,

Manesh³

2018

Orient. J. Chem

Self Cite

View full text Add to dashboard Cite

Graphene oxide has a great potential as a suitable material for anodic sodium ion battery (NIBs) due to its unique behavior. The calculated reversible of lithium ion capacity of GO/ Li & Na / GO based anodic materials are widely improved comparing to the conventional graphite-based anodic materials. By this investigation GO sheets have been localized into the graphene as an item for enhancing electrochemical & Physical ratio. Moreover, the structure of GO/Li& Na/GO can be used for improving the capacities and electronics transport in the GO sheets-based NIBs. Therefore, these modifications of GO sheet and designing of GO/Li & Na/GO structures provide a strategy for increasing the performance of GO-based anode. GO/Li & Na/GO could also be accomplished into the free-standing anodes without any of binders or current's collectors, which will leads to increased energies densities of overall battery's designing.

show abstract

S-NICS Investigation for Heterocyclic Anticancer Compounds

Cited by 6 publications

References 12 publications

Effects of two types of nanoparticles on the cure, rheological, and mechanical properties of rubber nanocomposites based on the NBR/PVC blends

Effects of two types of nanoparticles on the cure, rheological, and mechanical properties of rubber nanocomposites based on the NBR/PVC blends

Aromaticity study of heterocyclic anticancer compounds through computational s-nics method

Lithium Including Mixed Sodium Inside Graphene Oxide (GO) as Anodic Electrodes for ion Batteries

Contact Info

Product

Resources

About