FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2917828183> ?p ?o ?g. }

• W2917828183 abstract "Preferential solvation has significant importance in interpreting the molecular physicochemical properties of wide spectrum of materials in solution. In this work, the solute-solvent interaction of pro-drug Sulfasalazine (SSZ) in neat and binary media was investigated experimentally and computationally. The solute-solvent interactions of interest were spectrophotometrically probed and computationally investigated for providing insights concerning the molecular aspects of SSZ:media interaction. Experimentally, the obtained results in 1,4-dioxane:water binary mixture demonstrated a dramatic non-linear changes in the spectral behavior of SSZ indicative of the dependency of its molecular behaviors on the compositions of the molecular microenvironment in the essence of solute-solvent interaction. Computationally, geometry optimization and simulation of the absorption spectra of SSZ in media of interest were performed employing DFT and TD-DFT methods, respectively, where the solvent effects on the absorption were examined implicitly using IEFPCM method. Obtained results revealed a nonpolar nature of the molecular orbitals that are directly involved in the SSZ:medium interaction. As in good correspondence with the experimental results, these simulations demonstrated that these orbitals are of non-polar nature and hence minimally affected by polarity of the media and in turn favoring the non-polar molecular environments. On the other hand, the molecular origin of SSZ:media interaction was demonstrated explicitly through complexation of SSZ with water molecules revealing a cooperative hydrogen bonding stabilization with an average length of 1.90 Å. The findings of this work demonstrate the significance of the preferential solvation and composition of the molecular microenvironment on the physicochemical properties of molecules of pharmaceutical importance." @default.
• W2917828183 created "2019-03-02" @default.
• W2917828183 creator A5021467611 @default.
• W2917828183 creator A5059225823 @default.
• W2917828183 creator A5088475774 @default.
• W2917828183 date "2019-02-28" @default.
• W2917828183 modified "2023-10-16" @default.
• W2917828183 title "Probing the Solute-Solvent Interaction of an Azo-Bonded Prodrug in Neat and Binary Media: Combined Experimental and Computational Study" @default.
• W2917828183 cites W1964648607 @default.
• W2917828183 cites W1967579525 @default.
• W2917828183 cites W1971122381 @default.
• W2917828183 cites W1979915837 @default.
• W2917828183 cites W2003916199 @default.
• W2917828183 cites W2005427281 @default.
• W2917828183 cites W2018807462 @default.
• W2917828183 cites W2019709124 @default.
• W2917828183 cites W2025624195 @default.
• W2917828183 cites W2025786467 @default.
• W2917828183 cites W2040584889 @default.
• W2917828183 cites W2050077474 @default.
• W2917828183 cites W2059055529 @default.
• W2917828183 cites W2070206101 @default.
• W2917828183 cites W2070929047 @default.
• W2917828183 cites W2073379731 @default.
• W2917828183 cites W2073607020 @default.
• W2917828183 cites W2074030723 @default.
• W2917828183 cites W2076148910 @default.
• W2917828183 cites W2076861723 @default.
• W2917828183 cites W2087184000 @default.
• W2917828183 cites W2088303075 @default.
• W2917828183 cites W2111271811 @default.
• W2917828183 cites W2138866442 @default.
• W2917828183 cites W2156553267 @default.
• W2917828183 cites W2162697319 @default.
• W2917828183 cites W2171700467 @default.
• W2917828183 cites W2180105454 @default.
• W2917828183 cites W2275053659 @default.
• W2917828183 cites W2293250439 @default.
• W2917828183 cites W2323879673 @default.
• W2917828183 cites W2333823783 @default.
• W2917828183 cites W2334864311 @default.
• W2917828183 cites W2403571535 @default.
• W2917828183 cites W2462307121 @default.
• W2917828183 cites W2476049595 @default.
• W2917828183 cites W2479926457 @default.
• W2917828183 cites W2555601873 @default.
• W2917828183 cites W2556817888 @default.
• W2917828183 cites W2560023004 @default.
• W2917828183 cites W2594816406 @default.
• W2917828183 cites W2608172667 @default.
• W2917828183 cites W2610074201 @default.
• W2917828183 cites W2611366006 @default.
• W2917828183 cites W2619092683 @default.
• W2917828183 cites W2736411991 @default.
• W2917828183 cites W2740611247 @default.
• W2917828183 cites W2741729445 @default.
• W2917828183 cites W2761183198 @default.
• W2917828183 cites W2763153606 @default.
• W2917828183 cites W2782743442 @default.
• W2917828183 cites W2789110288 @default.
• W2917828183 doi "https://doi.org/10.1038/s41598-019-39028-1" @default.
• W2917828183 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6395765" @default.
• W2917828183 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30816155" @default.
• W2917828183 hasPublicationYear "2019" @default.
• W2917828183 type Work @default.
• W2917828183 sameAs 2917828183 @default.
• W2917828183 citedByCount "7" @default.
• W2917828183 countsByYear W29178281832020 @default.
• W2917828183 countsByYear W29178281832023 @default.
• W2917828183 crossrefType "journal-article" @default.
• W2917828183 hasAuthorship W2917828183A5021467611 @default.
• W2917828183 hasAuthorship W2917828183A5059225823 @default.
• W2917828183 hasAuthorship W2917828183A5088475774 @default.
• W2917828183 hasBestOaLocation W29178281831 @default.
• W2917828183 hasConcept C112887158 @default.
• W2917828183 hasConcept C119824511 @default.
• W2917828183 hasConcept C121332964 @default.
• W2917828183 hasConcept C125287762 @default.
• W2917828183 hasConcept C1276947 @default.
• W2917828183 hasConcept C132439834 @default.
• W2917828183 hasConcept C139358910 @default.
• W2917828183 hasConcept C147597530 @default.
• W2917828183 hasConcept C148093993 @default.
• W2917828183 hasConcept C159467904 @default.
• W2917828183 hasConcept C159985019 @default.
• W2917828183 hasConcept C178790620 @default.
• W2917828183 hasConcept C178910836 @default.
• W2917828183 hasConcept C185592680 @default.
• W2917828183 hasConcept C192562407 @default.
• W2917828183 hasConcept C2780471494 @default.
• W2917828183 hasConcept C29705727 @default.
• W2917828183 hasConcept C32909587 @default.
• W2917828183 hasConcept C59593255 @default.
• W2917828183 hasConcept C62520636 @default.
• W2917828183 hasConceptScore W2917828183C112887158 @default.
• W2917828183 hasConceptScore W2917828183C119824511 @default.
• W2917828183 hasConceptScore W2917828183C121332964 @default.
• W2917828183 hasConceptScore W2917828183C125287762 @default.
• W2917828183 hasConceptScore W2917828183C1276947 @default.
• W2917828183 hasConceptScore W2917828183C132439834 @default.

• next