Size Effect of Arylenediimide π-Conjugate Systems on the Photoresponsive Behaviors in Eu3+-Based Coordination Polymers.

Various arylenediimides (ADIs) have been applied to construct photoresponsive coordination polymers (CPs), while the size effect of ADI π-conjugate systems on the photoresponsive behaviors in CPs has been overlooked in the past few years. Herein, we emphasize the size effect of ADI π-conjugate systems on photoinduced electron transfer (ET) in CPs, taking two Eu3+-based CPs, [Eu(H2BINDI)(BINDI)0.5(H2O)2]·NH2(CH3)2·8H2O (1) and [Eu2(BIPMDI)(DMF)4(NO3)2]·H2O·2DMF (2) [H4BINDI = N,N'-bis(5-isophthalic acid)naphthalenediimide; H4BIPMDI = N,N'-bis(5-isophthalic acid)pyromellitic diimide; DMF = N,N-dimethylformamide], as a case. Both 1 and 2 display ET-based photochromic behaviors with distinct photoresponsive rates and coloration contrast, which can contribute to the size effect of diimide cores on the interfacial contacts of electron donors/acceptors. Meanwhile, ET between the neighboring larger NDI cores of the H4BINDI ligands can block ligand-to-metal charge transfer and quench luminescence of the Eu3+ metal center in 1. Therefore, this work will provide a theoretical basis for the development and exploration of photoresponsive materials.

Series of Water-Stable Lanthanide Metal-Organic Frameworks Based on Carboxylic Acid Imidazolium Chloride: Tunable Luminescent Emission and Sensing.

A series of isomorphic lanthanide metal-organic frameworks (Ln-MOFs), {[Ln(L)(H2O)2]·5H2O}n (1-Ln, where Ln = Eu, Tb, Gd, and EuxTb1-x), have been synthesized by a rigid 1,3-bis(3,5-dicarboxyphenyl)imidazolium chloride (H4L+Cl-) ligand and Ln3+ ions via a solvothermal method. Single-crystal X-ray diffraction indicated that 1-Ln exhibited similar three-dimensional porous frameworks with one-dimensional channels decorated by the uncoordinated carboxylate oxygen atoms. The luminescent sensing studies indicated that 1-Eu is an outstanding reusable luminescent probe suitable for the simultaneous detection of Cr2O72-, CrO42-, and MnO4- ions in an aqueous solution. Remarkably, the different proportions of Eu3+ and Tb3+ can be combined into the same Ln-MOF to yield a new series of differently doped 1-EuxTb1-x MOFs. At the same excitation wavelength, they generated dual-emission peaks of Eu3+ and Tb3+ to show a gradual change in luminous color between yellow-green, yellow, orange, orange-red, and red. On the basis of the excellent optical properties of 1-Ln complexes, they can be employed as promising luminescent probe and multicolor tunable photoluminescence materials.

Thiol-Functionalized Pores via Post-Synthesis Modification in a Metal-Organic Framework with Selective Removal of Hg(II) in Water.

Owing to the rapid increase of Hg(II) ions in water resources, the design and development of new adsorbents for Hg(II) removal are becoming a significant challenge in environmental protection. Herein, a thiol-functionalized metal-organic framework (SH-MiL-68(In)) was successfully prepared through a post-synthesis modification procedure, and the framework intactness and porosity were well maintained after this process. SH-MiL-68(In) exhibited selective adsorption performance for Hg(II) ions in water. Meanwhile, SH-MiL-68(In) also shows a high adsorption capacity (450 mg g-1), large adsorption rate (rate constant k2 = 1.25 g mg-1 min-1), and good recycling of adsorption capacity toward Hg(II) ions. The excellent adsorption performance resulted from the strong binding interactions between -SH soft basic groups and Hg(II) soft acidic ions.

Tuning the Magnetic Interactions in Dy(III)4 Single-Molecule Magnets.

The study of mononuclear lanthanide-based systems, where the observed single-molecule magnets (SMMs) properties originate from the local description of the magnetic properties of the lanthanide ion, has been widely investigated through the literature. The case of polynuclear SMMs becomes more challenging both experimentally and theoretically due to the complexity of such architectures involving interactions between the magnetic centers. Many efforts have been focused on the understanding of the nature of these interactions and their effects on the SMM properties. In this work, a series of three structurally related tetranuclear dysprosium(III) SMMs, namely, [Dy4(L)4(OH)2(DMF)4(NO3)2]·2(DMF)·(H2O) (1), [Dy4(L)4(OH)2(DMF)2(tfaa)2]·2(CH3CN) (2), and [Dy4(L)4(OH)2(DMF)2(acac)2]·2(DMF) (3) (H2L = 2-(2-hydroxy-3-methoxybenzylideneamino)phenol, Htfaa = trifluoroacetylactone, Hacac = acetylacetonate), has been synthesized and investigated. By a fine-tuning of the ligands on the changeable coordination sites in these Dy(III)4 SMMs, the intramolecular magnetic interactions can be modified, switching from antiferromagnetic (for 1 and 2) to ferromagnetic (for 3). Ab initio calculations support these statements. In addition, the formation of 1 has been analyzed by ESI-MS analysis of the reaction mixture, indicating rather quick and high-yield formation of the [Dy4] framework in solution. The combination of experimental work and ab initio calculations offers further insight into the relationship between structures and magnetic properties and sheds light on how to tune magnetic interactions in future polynuclear dysprosium complexes.

Functions of Wnt signaling pathway in hair cell differentiation and regeneration.

Wnt signaling pathway plays important roles in the development and homeostasis of multicellular organisms. Through their bindings with the Frizzled receptors, the Wnt ligands regulate a wide range of developmental processes, such as axis patterning, cell division, and cell fate specification. Wnt signaling plays vital roles in the development of inner ear of the mouse. In the early stages of inner ear development, Wnt signaling specifies the size of the placode and the formation of the otic vesicle. In later stages, Wnt signaling mediates hair cell specification and orients the stereociliary bundles in a uniform direction. In this review, we summarize the current knowledge on the roles of Wnt signaling in hair cell differentiation and regeneration, which may provide references and insights for investigators in the field.

Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.

Seven new isostructural lanthanide metal-organic frameworks (Ln-MOFs), [Ln(Hpzbc)2(NO3)]·H2O (1-Ln, Ln = Nd(3+), Sm(3+), Eu(3+), Gd(3+), Tb(3+), Er(3+), and Yb(3+) ions, H2pzbc = 3-(1H-pyrazol-3-yl) benzoic acid), with one-dimensional (1D) channels decorated by nitrate anions and pyrazoyl groups have been constructed. 1-Ln, as revealed by structural analysis, represent uncommon microporous 3D Ln-pyrazoyl-carboxyl systems using pyrazoyl-carboxyl bifunctional ligands as bridges. The luminescent investigations show that 1-Eu is an excellent MOF-based fluorescent probe, with high sensitivity, selectivity, and simple regeneration, for environmentally relevant Fe(3+) and Cr2O7(2-) ions. 1-Eu also presents highly selective capture for CO2 over N2 and CH4 due to the multiple binding sites for CO2 molecules, which were supported by Grand Canonical Monte Carlo (GCMC) simulations.

A Cationic MOF with High Uptake and Selectivity for CO2 due to Multiple CO2 -Philic Sites.

The reaction of N-rich pyrazinyl triazolyl carboxyl ligand 3-(4-carboxylbenzene)-5-(2-pyrazinyl)-1H-1,2,4-triazole (H2 cbptz) with MnCl2 afforded 3D cationic metal-organic framework (MOF) [Mn2 (Hcbptz)2 (Cl)(H2 O)]Cl⋅DMF⋅0.5 CH3 CN (1), which has an unusual (3,4)-connected 3,4T1 topology and 1D channels composed of cavities. MOF 1 has a very polar framework that contains exposed metal sites, uncoordinated N atoms, narrow channels, and Cl(-) basic sites, which lead to not only high CO2 uptake, but also remarkably selective adsorption of CO2 over N2 and CH4 at 298-333 K. The multiple CO2 -philic sites were identified by grand canonical Monte Carlo simulations. Moreover, 1 shows excellent stability in natural air environment. These advantages make 1 a very promising candidate in post-combustion CO2 capture, natural-gas upgrading, and landfill gas-purification processes.

Computational identification of a new SelD-like family that may participate in sulfur metabolism in hyperthermophilic sulfur-reducing archaea.

BACKGROUND: Selenium (Se) and sulfur (S) are closely related elements that exhibit similar chemical properties. Some genes related to S metabolism are also involved in Se utilization in many organisms. However, the evolutionary relationship between the two utilization traits is unclear. RESULTS: In this study, we conducted a comparative analysis of the selenophosphate synthetase (SelD) family, a key protein for all known Se utilization traits, in all sequenced archaea. Our search showed a very limited distribution of SelD and Se utilization in this kingdom. Interestingly, a SelD-like protein was detected in two orders of Crenarchaeota: Sulfolobales and Thermoproteales. Sequence and phylogenetic analyses revealed that SelD-like protein contains the same domain and conserved functional residues as those of SelD, and might be involved in S metabolism in these S-reducing organisms. Further genome-wide analysis of patterns of gene occurrence in different thermoproteales suggested that several genes, including SirA-like, Prx-like and adenylylsulfate reductase, were strongly related to SelD-like gene. Based on these findings, we proposed a simple model wherein SelD-like may play an important role in the biosynthesis of certain thiophosphate compound. CONCLUSIONS: Our data suggest novel genes involved in S metabolism in hyperthermophilic S-reducing archaea, and may provide a new window for understanding the complex relationship between Se and S metabolism in archaea.

Electron density effect of aromatic carboxylic acids in naphthalenediimide-based coordination polymers: from thermal electron transfer and charge transfer to photoinduced electron transfer.

Various naphthalenediimide (NDI) based electron donor-acceptor coordination polymers (D-A CPs) have been constructed and used to explore charge transfer (CT) and electron transfer (ET) behaviors. Up to now, significant progress has been made in the interface contact and electron donor-acceptor ability matching mechanism, while the electronic density effect of the electron donors on the CT and ET behaviors is still not known. Herein, two NDI-based D-A CPs, [Cd2(H2NDI)(IPA)2(H2O)2] (1) and [Cd2(H2NDI)(IPA-OH)2(H2O)2] (2), are constructed using an NDI-based ligand and two aromatic carboxylic acid ligands (H2NDI = 2,7-bis(3,5-dimethyl) dipyrazol-1,4,5,8-naphthalene tetracarboxydiimide, H2IPA = isophthalic acid; and H2IPA-OH = 5-hydroxyisophthalic acid). UV-vis and EPR spectroscopy and DFT calculations analyses reveal that the occurrence of themal electron transfer (TET) in 1 and 2 results from the HOMO of the IPA and IPA-OH lying higher than the LUMO of the NDI. Meanwhile, compared to 1, the UV-vis absorption spectrum of 2 exhibits a significant red shift, which suggests higher electron density of the donor and more electron transfer pathways are beneficial for the occurrence of intermolecular CT. After UV light irradiation, the comparison of the photochromic behavior of 1 and 2 confirms the negative effect of the stronger CT on photoinduced electron transfer (PET). The present study illustrates the delicate modulating effect of electron density on the CT and ET behaviors in D-A CPs.

The modulation effect of carboxylic acid ligands on the electron transfer photochromism of NDI-derived coordination polymers.

Four naphthalene diimide (NDI)-derived coordination polymers (CPs), [Cd(3-DPNDI)(o-BDC)] (1), [Cd(3-DPNDI)2(p-BDC)(NO3)] (2), [Cd(3-DPNDI)(NDC)(H2O)2] (3), [Cd(3-DPNDI)(BPC)(H2O)] (4) (3-DPNDI = N,N'-di-(3-pyridyl)-1,4,5,8-naphthalene diimide, o-BDC = phthalic acid, p-BDC = terephthalic acid, NDC = 2,6-naphthalenedicarboxylic acid, BPC = biphenyl-4,4'-dicarboxylic acid), have been designed and prepared. The usage of carboxylic acid ligands with different sizes, shapes and charge densities leads to the distinct resultant architectures of four CPs and divergent weak interactions (lone pair⋯π, π⋯π and C-H⋯π interactions) of electron donors/acceptors, which further lead to the completely different photoinduced electron transfer (PET) and consequent photochromic properties. More specifically, 1 and 2 display excellent photochromic behaviors with a fast photoresponsive rate and high coloration contrast, which are attributed to the suitable interfacial contacts of electron donors/acceptors. However, 3 and 4 are basically optical inert, which could be attributed to the negative effect of the stronger charge transfer (CT) on PET. The present study illustrates the delicate modulating effect of carboxylic acid ligands on the resultant networks, interfacial relationship and PET together with photoresponsive behaviors.

An electron-deficient naphthalene diimide-based metal-organic framework for detecting electron-rich molecules through photo-/chemo-induced chromism.

A novel naphthalene diimide-based metal-organic framework (MOF) {[Zn(3-DPMNI)0.5(NDC)]·3DMF} (1@DMF), (H2NDC = 2,6-naphthalenedicarboxylic acid, DPMNI = N,N'-bis(3-pyridylmethyl)-1,4,5,8-naphthalene diimide, DMF = N,N'-dimethylformamide), has been synthesized, which shows a 3D pillar-layer architecture built of carboxylate layers and naphthalene diimide pillars. The compound exhibits outstanding photochromic performance due to photoinduced electron transfer (ET) between the electron-rich guest molecules and electron-deficient host framework (host-guest ET). Of note, the host framework of 1 cannot show a macroscopic color change owing to the absence of the ET pathway. Nevertheless, it exhibits discriminative photochromic behavior in the presence of electron-rich solvents, which is mainly attributed to different electron-donating abilities of guest solvents and distinct interfacial contacts of electron donors/acceptors. Furthermore, the MOF can also show discriminative ET chemochromic response to different sizes and shapes of organic amines, which can be potentially used for the visual detection of electron-rich organic amines, especially n-butylamine (n-BUA).

A PW12/Ag functionalized mesoporous silica-coated magnetic Fe3O4 core-shell composite as an efficient and recyclable photocatalyst.

The novel composite, Fe3O4@SiO2@mSiO2-PW12/Ag, was successfully prepared by in situ loading Ag nanoparticles (Ag NPs) on the surface of grafted phosphotungstate (denoted as PW12) Fe3O4@SiO2@mSiO2via a photoreduction deposition method. PW12 not only acts as a reducing agent and stabilizer for Ag NPs but also as a bridge to link Ag NPs and the SiO2 shell in the loading process. Its activity toward the photodegradation of methyl orange (MO) and photoreduction of Cr2O72- anions was evaluated. Experimental results showed that Fe3O4@SiO2@mSiO2-PW12/Ag with 5.3 wt% Ag loading and 18.65 wt% of PW12 exhibits the highest photocatalytic efficacy, and complete degradation of MO and 91.2% photoreduction of Cr(vi) were realized under simulated sunlight for 75 min, respectively. The enhanced catalytic activities of the composite are due to its high specific surface area, the synergistic effect among the components and the formation of a heterojunction of PW12/Ag. The possible enhanced photocatalytic mechanism is proposed. The catalyst is durable and can be easily recovered using a magnet for recycling without a significant loss of catalytic activity.

Dramatic impact of auxiliary ligands on the two-step magnetic relaxation process in Dy4(iii) single-molecule magnets.

To better understand the factors determining the multi-step relaxation processes in polynuclear lanthanide single molecule magnets (SMMs), two Dy(iii)4 SMMs showing two-step relaxation processes were elaborately designed and investigated for their structure-dependent magnetic properties. Through targetedly fine-tuning the auxiliary ligand (from the anion of 1-phenylbutane-1,3-dione to 2-acetylcyclopentanone) on specific Dy(iii) sites while retaining the same type of coordination atoms, one of the two relaxation processes shifted to higher temperature with an increase of energy barrier, which permits the unambiguous assignment of the relaxation processes to specific metal sites. Therefore, the present {Dy4} systems provide a good example to probe the factors determining the relaxation dynamics, and point to a simple way to optimize the magnetic performance of polynuclear dysprosium SMMs.

Textiles/Metal-Organic Frameworks Composites as Flexible Air Filters for Efficient Particulate Matter Removal.

The health-threatening air pollution, especially from particulate matter (PM), has triggered increasing demands for developing low-cost and long-service-life air-cleaning technologies. In the present contribution, a range of high-efficiency textiles/metal-organic framework (MOF) composites (MOFs@textiles) air filters with excellent washable reusability is presented. By processing MOFs onto textile substrates via an eco-friendly solvent-free method to enable the microporous feature and also strong PM adhesion, we develop flexible, highly effective air filters with >95.00% PM removal efficiency (e.g., MiL-53(Al)@Aramid, PM2.5: 95.30%, PM10: 96.11%) under harmful air quality conditions (average PM2.5 mass concentration > 280 µg m-3 and PM10 > 360 µg m-3). Therefore, these MOFs@textiles are promising composites for producing efficient and recyclable out-/indoor air purifiers.

Tetranuclear dysprosium single-molecule magnets: tunable magnetic interactions and magnetization dynamics through modifying coordination number.

The study of mononuclear lanthanide-based systems, where the observed Single Molecule Magnets (SMMs) properties originate from the local magnetic anisotropy of the single lanthanide ion, has been extensively investigated in the literature. The case for polynuclear lanthanide SMMs becomes more challenging both experimentally and theoretically due to the complexity of such architectures involving interactions between the magnetic centers. Much interest was devoted to the study of the structural effect on the magnetic interactions and relaxation dynamics. However, the understanding of the structural influence on those two factors remains a difficult task. To address this issue, a system containing two structurally related tetranuclear Dy(iii) SMMs, namely [Dy4(L)4(OH)2(DMF)4(NO3)2]·2(DMF)·(H2O) (1) and [Dy4(L)4(OH)2(DMF)2(NO3)2] (2) (H2L = 2-(2-hydroxy-3-methoxybenzylideneamino)phenol), is introduced and investigated. Through modifying the ligands on the changeable coordination sites, the intramolecular magnetic interactions and relaxation dynamics in these two Dy(iii)4 SMMs can be tuned. Both complexes exhibit slow relaxation of their magnetization with a relaxation barrier of 114 K for complex 2 while a blocking temperature below 2 K is observed for complex 1. Ab initio calculations reveal that changes in coordination numbers and geometries on the Dy(iii) sites can significantly affect the magnetic interactions as well as single-ion anisotropy. The combination of experimental work and ab initio calculations offers insight into the relationship between structures and magnetic properties and sheds light on the rational design of future polynuclear lanthanide SMMs with enhanced magnetic properties.

A new stable luminescent Cd(ii) metal-organic framework with fluorescent sensing and selective dye adsorption properties.

A new luminescent metal-organic framework, {[Cd3(HL)2(H2O)3]·3H2O·2CH3CN}n (1) (H4L = 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid), has been synthesized by solvothermal reaction and characterized by infrared spectroscopy, powder X-ray diffraction, thermogravimetry measurements and so on. 1 shows a new trinodal (4,4,6)-connected topology. Importantly, 1 displays intense luminescence in the solid state and high luminescent sensitivity and selectivity for Fe3+, CrO42- and Cr2O72- ions in aqueous solution, making it a potential probe for detecting these substances. The quenching mechanisms are also further discussed in detail. In addition, further research on the adsorption of dyes shows that 1 can selectively adsorb Congo red dye from other dye molecules.

[The effects of lipiodol-hydroxyapatite nanoparticle on apoptosis, proliferation, and angiogenesis in hepatic tumor: experiment with rabbits].

OBJECTIVE: To investigate the effects of lipiodol-hydroxyapatite nanoparticle (lipi-nHAP) on the growth, necrosis, apoptosis, proliferation, and angiogenesis of hepatic tumor. METHODS: Ultrasound-emulsification was used to make lipi-nHAP Eighty New Zealand white rabbits underwent implantation of carcinoma cells of the line VX2 into the left lobe of liver. Two weeks later the rabbits underwent catheterization into the gastroduodenal artery so that, and then the rabbits were randomly divided into four equal groups to receive infusion via the hepatic artery of different drugs: physiological saline (Group A), lipiodol (Group B), adriamycin + lipiodol (Group C), and lipi-nHAP (Group D). Seven and 14 days after the treatment the size of tumor was observed by spiral CT scan, and the volume and growth rate of tumor were calculated. Two weeks after the treatment 8 rabbits from each group were killed and their liver tumors were taken out and the survival rates of remaining rabbits were observed. The necrosis rate of the liver tumor was assessed by measuring the area of the tumor and the necrosis. The apoptotic rate was examined by TUNEL method. Mcrovessel density (MVD) was examined by immunohistochemistry anti-CD31 antibody. Anti-proliferating cell nuclear antigen (PCNA) monoclonal antibody was used to detect the expression of PCNA so as to calculate the proliferation index of the cells. RESULTS: The tumor volume and growth rate of Group D 7 and 14 days after treatment were both significantly lower than those of other groups (all P < 0.05) and the necrosis rate and apoptotic index of Group D were both significantly higher than those of other groups (all P < 0.05). The values of MVD were higher in Groups C and D compared with those of Group A. Compared with those in other groups, the values of MVD and expression level of PCNA were significantly lower in group D (all P < 0.05). The survival time of Group D was longer than those of other groups (all P < 0.05). CONCLUSION: lipi-nHAP can suppress the growth of tumor, increase the tumor's necrosis rate and apoptotic index, inhibit the development of neovascularization, decrease the expression level of PCNA of residual tumor, and prolong the surviving time of the animals with hepatic tumor. It may become an effective embolization material to treat liver cancer.

[Expressions of ATP binding cassette transporter genes in rat hepatic oval cells].

OBJECTIVE: Liver regeneration occurs through hepatocytes after acute liver injury. However, severe liver injury activates bipotential oval cells from canals of Hering which can differentiate into hepatocytes and biliary epithelial cells. Most models of oval cell activation have employed potential carcinogens to inhibit hepatocyte replication in the face of a regenerative stimulus. Oval cells must be able to withstand the toxic milieu of the damaged liver. ATP binding cassette transporters are cytoprotective efflux pumps that may contribute to the protection of these cells. The aim of this study was to determine the ABC transporter expressions in hepatic oval cells. METHODS: A rat model was established by feeding 2-acetylaminofluorene combined with partial hepatectomy to activate hepatic oval cells. Oval cells were isolated and purified using selective enzymatic digestion and density gradient centrifugation from the heterogeneous hepatic cell population. The expressions of ABC transporter gene, including MDR1, MRP1 and Bcrp1, in isolated hepatic oval cells and hepatocytes were measured by quantitative real-time reverse transcription-polymerase chain reaction and those in rat liver tissues were measured by immunohistochemistry. RESULTS: Compared to those in the rat hepatocytes, mRNA expressions of the genes encoding MDR1, MRP1 and Bcrp1 were increased up to 9-, 1.5- and 13.8-folds in hepatic oval cells. Immunohistochemical staining of rat liver slides demonstrated that the expression of MDR1 proteins was found around periportal areas, and Bcrp1 protein was found located on cell membranes. CONCLUSION: Hepatic oval cells express high levels of the ABC transporter gene that may have cytoprotective functions during severe hepatotoxicity.

[TNF-alpha induced reversal of multidrug resistance in human hepatocellular carcinoma cells].

OBJECTIVE: To investigate the reversal of multidrug resistance in the cell line HepG2/ADM induced by TNF-alpha. METHODS: HepG2/ADM cells were incubated with different concentrations of TNF-alpha (100, 500 and 2500 U/ml) for 72 h. Real-time PCR was performed to compare the mRNA levels of MDR1 with PPAR-alpha in the different concentrations of TNF-alpha treated cells. The Annexin V assay was used to check cell apoptosis induced by 0.5 mg/L adriamycin. Rhodamine 123 efflux assay and MTT assay were used to study P-gp activity and drug resistance in each group, respectively. RESULTS: TNF-alpha could induce down-regulation of MDR1 and up-regulation of PPAR-alpha. Meanwhile, it could enhance cell cytotoxicity and cell apoptosis induced by 0.5 mg/L adriamycin. CONCLUSIONS: TNF-alpha could partially reverse the multidrug resistance of HepG2/ADM cells by down-regulating the expression of MDR1 and up-regulating the expression of PPAR-alpha.

Increased Electric Conductivity upon I2 Uptake and Gas Sorption in a Pillar-Layered Metal-Organic Framework.

The use of molecular iodine to tune the electrical conductivity in metal-organic frameworks is an effective but seldom investigated strategy. Herein, the single-crystal-to-single-crystal transformation of [Co1.5 (bdc)1.5 (H2 bpz)]⋅DMF⋅4 H2 O (1) to [Co1.5 (bdc)1.5 (H2 bpz)]⋅0.5 I2 ⋅DMF (I2 @1) (H2 bdc=1,4-benzenedicarboxylic acid, H2 bpz=3,3',5,5'-tetramethyl-4,4'-bipyrazole) upon I2 loading caused a three orders of magnitude enhancement in electrical conductivity of the framework. Single-crystal X-ray diffraction revealed that I2 exists as a single molecule embedded in the channels of framework, and the C-H⋅⋅⋅I hydrogen bonds between I2 molecules and phenyl units on the porous surface of the framework were suggested to participate in n→σ* host-guest charge transfer, leading to increased electrical conductivity in I2 @1. Furthermore, 1 displayed moderate adsorption selectivity for CO2 over CH4 and N2 .