Simultaneous quantitative recognition of all purines including N6-methyladenine via the host-guest interactions on a Mn-MOF

•Unmodified MOF sensor recognizes all known purine nucleobases, including N6-mA•Characteristic host-guest interactions are accurately monitored by electrochemistry•DFT and synchrotron techniques clearly illustrate the structures N6-methyladenine (N6-mA) has been found as third nucleobase for construction of eukaryotic organism DNA, its detection is thus great value. By making use specific interactions, we have used a Mn-MOF material quantitatively detecting N6-mA to simultaneously recognize three nucleobases with simple process, low cost, good sensibility, accurate selectivity, high stability, reusability, well excellent capacity anti-interference. Theoretical calculations were successfully semiconductor feature structure between frameworks molecules, process corresponding mechanism investigated. This work should broaden application field MOFs may contribute investigation in organisms. Purine elementary building blocks life. In addition traditional adenine (A) guanine (G), only very recently was an essential aspect research genetic engineering, molecular biology, life evolution. We show here manganese metal-organic framework (Mn-MOF) Mn-centered paddle-wheel secondary units feature, which first N6-mA, via promising reusability investigate discrimination process. Our supplies new strategy simultaneous quantitative design functional applications materials. life, whose recognition one aspects Adenine (G) two traditionally while possible importance understanding composition tracing origin evolution life.1Heyn H. Esteller M. An code DNA: second N6-methyladenine.Cell. 2015; 161: 710-713Abstract Full Text PDF PubMed Scopus (114) Google Scholar, 2Fu Y. Luo G.Z. Chen K. Deng X. Yu Han D. Hao Z. Liu J. Lu Dore L.C. et al.N6-methyldeoxyadenosine marks active transcription start sites Chlamydomonas.Cell. 879-892Abstract (308) 3Zhang G. Huang Cheng Zhang W. Yin R. 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Single-crystal (SCXRD) analysis revealed that 3D two-fold interpenetrated crystallizing monoclinic space group C2/m. The asymmetric consists 1.5 crystallographically independent MnII ions, coordinated H2O (1.25 ?1-H2O 0.25 ?2-H2O ?4-H2O), TATAB3? ligand. ions coordination environments. As shown Figure 1B, five-coordinated connected four carboxylate groups ligands give Mn2(O2CR)4 SBU Mn···Mn distance 3.102(2) Å, axial paddle wheel occupied Mn-Oligand bond distances range 2.110(4) 2.127(4) Mn-Owater length 2.078(6) Å. Another tetranuclear (Figures 1C 1D), MnII, eight groups, H2O. Each oxygen atoms form distorted octahedral configuration. atom structure. [Mn4(?4-H2O)(?1-H2O)2(O2CR)8] [Mn4(?2-H2O)(?1-H2O)4(O2CR)8] observed this due being disordered. further framework, containing kinds diameters 5.0 × 7.3, 6.8 8.6, 12.5 12.9 Å along axis (Figure 1E). total volume open channels about 49.1%, calculated PLATON program. 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Locating materials: cryogenic loading fuel-related Sc-based extreme pressures.Angew. 13332-13336Crossref ScholarTable 1Crystallographic information adsorbing G moleculesSamplea (Å)b (Å)c (Å)? (°)V (Å3)Crystallite Size (nm)Rwp (%)112.2631(1)30.1187(2)22.4758(1)96.8466(2)8,242.2145(2)4233.081 N6-mA12.2652(1)30.1198(2)22.4837(1)96.8263(2)8,247.1622(2)4123.501 A12.2627(1)30.1216(2)22.4815(1)96.8322(2)8,245.0605(2)4033.371 G12.2689(1)30.1170(2)22.4983(1)96.7925(2)8,254.8256(2)3993.84 Open table tab inspect compare ab initio theory (DFT) performed. molecule accessible area (12.5 4A 4B ). Three models taken account, depicted S6. energies I, II, III S2. Comparing models, note model I more energetically favorable than II suggests align head-to-tail channel compared conformations. 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Phys. 14: 13120-13132Crossref (225) Furthermore, projected state (DOS) calculation band mainly d states p -states C, N, O atoms. dominate Fermi level, localization electrons hybridization neighboring forming strong bonds. gap DOS given ?1.1 S7), indicating could act semiconductor. possibility especially systems suggested us detected distinguished signals.43Talin Go