FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4323317910> ?p ?o ?g. }

• W4323317910 abstract "Abstract Noscapine has anti‐cancerous properties as it ceases cell division at metaphase stage. It is popular for it's anti‐antitussive properties. Various derivatives of noscapine have significant potential to act as a anticancerous ability than the parent molecule. As noscapine has low toxicity, high bioactivity and good availability, it is being explored extensively. Poor solubility of noscapine has somewhat restricted the use of noscapine. Therefore, authors aim to study the nature of noscapine in different solvents using computational methods or theoretically. Density functional theory (DFT) calculations and time‐dependent density functional theory (TD‐DFT) calculations were performed to explore the electronic structure, infrared spectrum, nuclear magnetic resonance spectrum and ultraviolet‐visible spectrum of noscapine. In dimethyl sulfoxide (DMSO), noscapine had a minimum or least free energy of −8.99 × 10 5 kcal/mol and a maximum dipole moment of 4.183 debye (D), followed by 2.942 D in chloroform. Physiochemical descriptors indicated that noscapine would interact with other molecules when DMSO or chloroform are taken as a solvent, as its polarizability and acidic character is more in DMSO and chloroform. The ability of noscapine to consume free radicles is also predicted to increase in DMSO. A red shift was observed when noscapine was taken in polar solvents as the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) was reduced. The authors also performed linear regression analysis on infrared and carbon‐13 nuclear magnetic resonance ( 13 C‐NMR) spectra obtained from computational and experimental methods to check the correlation in their results." @default.
• W4323317910 created "2023-03-07" @default.
• W4323317910 creator A5012236535 @default.
• W4323317910 creator A5020773992 @default.
• W4323317910 creator A5024560018 @default.
• W4323317910 creator A5038717001 @default.
• W4323317910 creator A5054927028 @default.
• W4323317910 creator A5061507874 @default.
• W4323317910 creator A5077265822 @default.
• W4323317910 creator A5084640207 @default.
• W4323317910 date "2023-03-29" @default.
• W4323317910 modified "2023-10-12" @default.
• W4323317910 title "An investigation to understand the correlation between the experimental and density functional theory calculations of noscapine" @default.
• W4323317910 cites W1595347681 @default.
• W4323317910 cites W1974895777 @default.
• W4323317910 cites W1975206946 @default.
• W4323317910 cites W198323117 @default.
• W4323317910 cites W2003219556 @default.
• W4323317910 cites W2009263703 @default.
• W4323317910 cites W2023156285 @default.
• W4323317910 cites W2031596719 @default.
• W4323317910 cites W2043816991 @default.
• W4323317910 cites W2051367524 @default.
• W4323317910 cites W2052099987 @default.
• W4323317910 cites W2061001532 @default.
• W4323317910 cites W2064967022 @default.
• W4323317910 cites W2069584608 @default.
• W4323317910 cites W2089018072 @default.
• W4323317910 cites W2092157292 @default.
• W4323317910 cites W2096747776 @default.
• W4323317910 cites W2111773486 @default.
• W4323317910 cites W2117813821 @default.
• W4323317910 cites W2126052291 @default.
• W4323317910 cites W2161502575 @default.
• W4323317910 cites W2471170444 @default.
• W4323317910 cites W2499662171 @default.
• W4323317910 cites W2516225820 @default.
• W4323317910 cites W2528928791 @default.
• W4323317910 cites W2568930821 @default.
• W4323317910 cites W2571457599 @default.
• W4323317910 cites W2793987803 @default.
• W4323317910 cites W2800023445 @default.
• W4323317910 cites W2884909093 @default.
• W4323317910 cites W2885529243 @default.
• W4323317910 cites W3004465863 @default.
• W4323317910 cites W3016568408 @default.
• W4323317910 cites W3095838534 @default.
• W4323317910 cites W3142140708 @default.
• W4323317910 cites W3196276746 @default.
• W4323317910 cites W3201661174 @default.
• W4323317910 cites W3205432457 @default.
• W4323317910 cites W3213652324 @default.
• W4323317910 cites W3217497448 @default.
• W4323317910 cites W3217727937 @default.
• W4323317910 cites W4205761461 @default.
• W4323317910 cites W4206953760 @default.
• W4323317910 cites W4210526357 @default.
• W4323317910 cites W4220981201 @default.
• W4323317910 cites W4250895804 @default.
• W4323317910 cites W4282592515 @default.
• W4323317910 cites W4283170958 @default.
• W4323317910 cites W4283383215 @default.
• W4323317910 cites W4293582383 @default.
• W4323317910 cites W4294653398 @default.
• W4323317910 cites W4297990461 @default.
• W4323317910 cites W4306319299 @default.
• W4323317910 cites W4309941929 @default.
• W4323317910 cites W4311138822 @default.
• W4323317910 doi "https://doi.org/10.1002/poc.4502" @default.
• W4323317910 hasPublicationYear "2023" @default.
• W4323317910 type Work @default.
• W4323317910 citedByCount "0" @default.
• W4323317910 crossrefType "journal-article" @default.
• W4323317910 hasAuthorship W4323317910A5012236535 @default.
• W4323317910 hasAuthorship W4323317910A5020773992 @default.
• W4323317910 hasAuthorship W4323317910A5024560018 @default.
• W4323317910 hasAuthorship W4323317910A5038717001 @default.
• W4323317910 hasAuthorship W4323317910A5054927028 @default.
• W4323317910 hasAuthorship W4323317910A5061507874 @default.
• W4323317910 hasAuthorship W4323317910A5077265822 @default.
• W4323317910 hasAuthorship W4323317910A5084640207 @default.
• W4323317910 hasConcept C132439834 @default.
• W4323317910 hasConcept C147597530 @default.
• W4323317910 hasConcept C152365726 @default.
• W4323317910 hasConcept C178790620 @default.
• W4323317910 hasConcept C185592680 @default.
• W4323317910 hasConcept C20853536 @default.
• W4323317910 hasConcept C2777667214 @default.
• W4323317910 hasConcept C2779200813 @default.
• W4323317910 hasConcept C2780471494 @default.
• W4323317910 hasConceptScore W4323317910C132439834 @default.
• W4323317910 hasConceptScore W4323317910C147597530 @default.
• W4323317910 hasConceptScore W4323317910C152365726 @default.
• W4323317910 hasConceptScore W4323317910C178790620 @default.
• W4323317910 hasConceptScore W4323317910C185592680 @default.
• W4323317910 hasConceptScore W4323317910C20853536 @default.
• W4323317910 hasConceptScore W4323317910C2777667214 @default.
• W4323317910 hasConceptScore W4323317910C2779200813 @default.
• W4323317910 hasConceptScore W4323317910C2780471494 @default.
• W4323317910 hasIssue "7" @default.

• next