Embed Size (px)
Citation preview
S1
Supplementary Material
Design and Synthesis of a Dinuclear Copper(II) Probe for Selective
Fluorescence Sensing of Pyrophosphate
Jinhe Xua,§, Jing Lia,§, Chenxi Liua, Linlin Yanga, Guangjie Hea,*, Tianjun Nib,*, Aiying Fana,
Songjun Wangc, Qingzhi Wanga,*
aXinxiang Key Laboratory of Forensic Science Evidence, School of Forensic Medicine,
Xinxiang Medical University, Jinsui Road No. 601, Xinxiang, 453003, Henan Province, P. R.
China
bSchool of Basic Medical Science, Xinxiang Medical University, Jinsui Road No. 601,
Xinxiang, 453003, Henan Province, P. R. China
cHebei Key Laboratory of Forensic Medicine, Hebei Medical University, East Zhongshan
Road No. 361, Shijiazhuang, 050017, Hebei Province, P. R. China
*Corresponding author: Tel./Fax: +86-373-3831183; +86-373-3831065
E-mail: [email protected]; [email protected]; [email protected]
§These authors contributed equally to this work
S2
Figure S1. 1H NMR of compound DPAC in CDCl3.
Figure S2. 13C NMR of compound DPAC in CDCl3.
S3
Figure S3. HRMS of compound DPAC.
300 400 500 600 700
0.0
0.1
0.2
0.3
0.4
Ab
so
rba
nce
Wavelength (nm)
Cu2+
Figure S4. UV-vis absorption spectra of compound DPAC (10 μM) upon addition of various metal
ions (2 equivalents) in CH3CN: HEPES (3: 2, v/v, pH=7.2) solutions.
1.0x105
1.5x105
2.0x105
2.5x105
3.0x105
3.5x105
4.0x105
0.000008
0.000010
0.000012
0.000014
0.000016
0.000018
0.000020
1/(
F0-F
)
1/[Cu2+
]2
Equation y = a + b*x
Adj. R-Square 0.9846
Value Standard Error
F Intercept 5.63759E-6 4.68843E-7
F Slope 3.58831E-11 2.00382E-12
Ka=1.57*105
Figure S5. The Benesi-Hildebrand fitting of titration plots with the titration of Cu2+ assuming 1:2
stoicheiometry with Cu2+.
S4
L Na+ Cr3+Mg2+Pb2+Al3+Mn2+Hg2+ Ag+ K+ Zn2+Fe3+Ca2+Cd2+Ni2+ Fe2+Cu2+Co2+0.0
0.5
1.0
F/F
0
Figure S6. Emission responses of compound DPAC (10 μM) upon additions of various metal ions
in CH3CN: HEPES (3:2, v/v, pH=7.2) solution.
Figure S7. ESI-MS spectra of DPAC in the presence of Cu2+ in CH3CN solution.
S5
Figure S8. The simulated (left) and experimental (right) isotopic distributions of
[Cu2(DPAC)+ClO4]3+ species.
Figure S9. The simulated (left) and experimental (right) isotopic distributions of
[Cu2(DPAC)+2ClO4]2+ species.
0.0 1.0x10-6
2.0x10-6
3.0x10-6
4.0x10-6
1.0
1.2
1.4
1.6
1.8
2.0
F/F
0
Concentration of PPi
Equation y = a + b*x
Adj. R-Square 0.97965
Value Standard Error
J Intercept 1.0655 0.03712
J Slope 210842.81313 15154.09279
Figure S10. Fluorescence intensity of DPAC-Cu2+ (10 µM) in CH3CN: HEPES (3:2, v/v, pH=7.2)
solution upon additions of PPi in range of 1-4 µM.
S6
Figure S11. ESI-MS spectrum of DPAC-Cu2+ with the addition of 1 equivalent of PPi.
Figure S12. The simulated (left) and experimental (right) isotopic distributions of
[Cu2(DPAC)+PPi+H]+ species.
S7
Figure S13. HPLC analyses of DPAC; DPAC+2 equiv.Cu2+; DPAC+2 equiv.Cu2++0.5
equiv. PPi; DPAC+2 equiv.Cu2++1 equiv. PPi. Liquid phase conditions: MeOH-water (8:2,
v/v, mobile phase); 1.0 mL min-1 (current velocity); ZORBAX SB-C18 (chromatographic
column).
450 500 550 600 650 700 750 800
0.0
4.0x104
8.0x104
1.2x105
1.6x105
Inte
nsit
y
Wavelength(nm)
PBS HEPES H
2O
Figure S14. Fluorescence spectra of compound DPAC (10 μM) in different buffer solutions.
