Matches in SemOpenAlex for { <https://semopenalex.org/work/W4385320275> ?p ?o ?g. }
- W4385320275 endingPage "5640" @default.
- W4385320275 startingPage "5640" @default.
- W4385320275 abstract "Hoechst 33342 (H33342) is a fluorescent probe that is commonly used to stain the DNA of living cells. To do so, it needs to interact with and permeate through cell membranes, despite its high overall charge at physiological pH values. In this work, we address the effect of pH in the association of H33342 with lipid bilayers using a combined experimental and computational approach. The partition of H33342 to 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid membranes was experimentally quantified using fluorescence spectroscopy and isothermal titration calorimetry (ITC) measurements. Quantum chemical calculations were performed to select the most stable isomer of H33342 for the overall charges 0, +1, and +2, expected to predominate across the 5 < pH < 10 range. The interaction of these isomers with POPC bilayers was then studied by both unrestrained and umbrella sampling molecular dynamics (MD) simulations. Both experimental results and computational free energy profiles indicate that the partition coefficient of H33342 displays a small variation over a wide pH range, not exceeding one order of magnitude. The enthalpy variation upon partition to the membrane suggests efficient hydrogen bonding between the probe and the lipid, namely, for the protonated +2 form, which was confirmed in the MD simulation studies. The relatively high lipophilicity obtained for the charged species contrasts with the decrease in their general hydrophobicity as estimated from octanol/water partition. This highlights the distinction between lipophilicity and hydrophobicity, as well as the importance of considering the association with lipid bilayers when predicting the affinity for biomembranes." @default.
- W4385320275 created "2023-07-28" @default.
- W4385320275 creator A5000630960 @default.
- W4385320275 creator A5020051284 @default.
- W4385320275 creator A5042799807 @default.
- W4385320275 creator A5046322759 @default.
- W4385320275 creator A5048469142 @default.
- W4385320275 creator A5055251025 @default.
- W4385320275 creator A5081673226 @default.
- W4385320275 date "2023-07-25" @default.
- W4385320275 modified "2023-10-16" @default.
- W4385320275 title "Interaction of Hoechst 33342 with POPC Membranes at Different pH Values" @default.
- W4385320275 cites W1031578623 @default.
- W4385320275 cites W1674235549 @default.
- W4385320275 cites W1795222094 @default.
- W4385320275 cites W1966078827 @default.
- W4385320275 cites W1969328810 @default.
- W4385320275 cites W1969509994 @default.
- W4385320275 cites W1973266360 @default.
- W4385320275 cites W1974150165 @default.
- W4385320275 cites W1976251743 @default.
- W4385320275 cites W1977664900 @default.
- W4385320275 cites W1985309426 @default.
- W4385320275 cites W1990100893 @default.
- W4385320275 cites W1993062133 @default.
- W4385320275 cites W1993177346 @default.
- W4385320275 cites W1995816895 @default.
- W4385320275 cites W2001718228 @default.
- W4385320275 cites W2002211535 @default.
- W4385320275 cites W2013083926 @default.
- W4385320275 cites W2019174060 @default.
- W4385320275 cites W2021680015 @default.
- W4385320275 cites W2022636828 @default.
- W4385320275 cites W2024815910 @default.
- W4385320275 cites W2025467800 @default.
- W4385320275 cites W2029667189 @default.
- W4385320275 cites W2030687437 @default.
- W4385320275 cites W2035939859 @default.
- W4385320275 cites W2037659263 @default.
- W4385320275 cites W2037788435 @default.
- W4385320275 cites W2044674815 @default.
- W4385320275 cites W2049135632 @default.
- W4385320275 cites W2057893343 @default.
- W4385320275 cites W2069861014 @default.
- W4385320275 cites W2071622918 @default.
- W4385320275 cites W2072525107 @default.
- W4385320275 cites W2075070782 @default.
- W4385320275 cites W2076940601 @default.
- W4385320275 cites W2079579419 @default.
- W4385320275 cites W2081967675 @default.
- W4385320275 cites W2084323023 @default.
- W4385320275 cites W2086946786 @default.
- W4385320275 cites W2093402287 @default.
- W4385320275 cites W2102537419 @default.
- W4385320275 cites W2103386788 @default.
- W4385320275 cites W2107029002 @default.
- W4385320275 cites W2109472386 @default.
- W4385320275 cites W2112154906 @default.
- W4385320275 cites W2135177750 @default.
- W4385320275 cites W2136359146 @default.
- W4385320275 cites W2141273392 @default.
- W4385320275 cites W2143981217 @default.
- W4385320275 cites W2160544821 @default.
- W4385320275 cites W2160947340 @default.
- W4385320275 cites W2210218255 @default.
- W4385320275 cites W2252991923 @default.
- W4385320275 cites W2256300625 @default.
- W4385320275 cites W2321617147 @default.
- W4385320275 cites W2323602858 @default.
- W4385320275 cites W2329732701 @default.
- W4385320275 cites W2329762854 @default.
- W4385320275 cites W2335198813 @default.
- W4385320275 cites W2345553202 @default.
- W4385320275 cites W2397510889 @default.
- W4385320275 cites W2479741218 @default.
- W4385320275 cites W2766779357 @default.
- W4385320275 cites W2774564829 @default.
- W4385320275 cites W2784351313 @default.
- W4385320275 cites W2801627300 @default.
- W4385320275 cites W2805424703 @default.
- W4385320275 cites W2889139647 @default.
- W4385320275 cites W2894639568 @default.
- W4385320275 cites W2902181117 @default.
- W4385320275 cites W2904606563 @default.
- W4385320275 cites W2943316464 @default.
- W4385320275 cites W3009142752 @default.
- W4385320275 cites W3035899618 @default.
- W4385320275 cites W3044291258 @default.
- W4385320275 cites W3046142679 @default.
- W4385320275 cites W3106530785 @default.
- W4385320275 cites W3128886331 @default.
- W4385320275 cites W3137455025 @default.
- W4385320275 cites W3143119157 @default.
- W4385320275 cites W3179607730 @default.
- W4385320275 cites W3183960680 @default.
- W4385320275 cites W4200279489 @default.
- W4385320275 cites W4200551850 @default.
- W4385320275 cites W4214596114 @default.