- Microporous Cyclen-Based Octacarboxylate Hydrogen-Bonded Organic Framework Exhibiting Selective Gas Adsorption
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A microporous hydrogen-bonded organic framework (HOF) was successfully prepared by a cyclen-based octacarboxylate ligand H8tacnip-Zn. The obtained three-dimensional structure presents a periodic double-layer unit that stacks to form a one-dimensional channel that buttresses discrete cavities (~5.6 × 5.6 ?2). From the single crystal structure, the macrocycle-bound metal ion was proven to greatly enhance the rigidity of the cyclen-based ligand while adjusting the direction of the carboxyl groups. The indelible porosity of degassed HOF was elucidated by CO2 sorption and selective gas adsorption. This work provides facile access to construct more porous HOFs based on a cyclen unit.
- Stackhouse, Chavis,Ren, Junyu,Shan, Chuan,Nafady, Ayman,Al-Enizi, Abdullah M.,Ubaidullah, Mohd,Niu, Zheng,Ma, Shengqian
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- Second-Sphere Interaction Promoted Turn-On Fluorescence for Selective Sensing of Organic Amines in a TbIII-based Macrocyclic Framework
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Guided by a second-sphere interaction strategy, we fabricated a Tb(III)-based metal—organic framework (MMCF-4) for turn-on sensing of methyl amine with ultra-low detection limit and high turn-on efficiency. MMCF-4 features lanthanide nodes shielded in a nonacoordinate geometry along with secondary coordination spheres that are densely populated with H-bond interacting sites. Nonradiative routes were inhibited by binding-induced rigidification of the ligand on the second coordination sphere, resulting in luminescence amplification. Such remote interacting mechanism involved in the turn-on sensing event was confirmed by single-crystal X-ray diffraction and molecular dynamic simulation studies. The design of both primary and secondary coordination spheres of Tb(III) enabled the first turn-on sensing of organic amines in aqueous conditions. Our work suggests a promising strategy for high-performance turn-on sensing for Ln-MOFs and luminous materials driven by other metal chromophores.
- Huang, Xianqiang,Liu, Qingzhi,Liu, Shixi,Ma, Shengqian,Nafady, Ayman,Niu, Zheng,Ren, Junyu,Tsai, Chen-Yen,Ye, Yingxiang
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- Efficient Gene Delivery Based on Guanidyl-Nucleic Acid Molecular Interactions
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Low transfection efficacy of non-viral gene vectors restricts their applications. In this paper, N1,N3-dicarbamimidoyl-5-methylisophthalamide (BGG) is designed as a functional group, in which two guanidyls are located at the meta positions of an aryl ring. BGG is conjugated with PAMAM G5 (G5-BGG) and G5-BGG/DNA complex is dispersed into a polyvinyl alcohol (PVA) hydrogel for local injection. Molecular docking, NMR, IR and Isothermal titration calorimetry (ITC) experiments demonstrate that G5-BGG has multiple molecular interactions with nucleic acids, which yield high binding affinity toward nucleic acids. Interestingly, the in vitro transfection efficiency and serum stability of G5-BGG are significantly improved when the BGG modification ratio is just one. The integrated G5-BGG/DNA complex is released from a PVA hydrogel sustainably, crosses the cell membrane and escapes from endosome/lysosome. After local injection only once, these features of the G5-BGG/DNA-loaded PVA hydrogel are found to improve antitumor efficiency in vivo, and antitumor efficiency is significantly better than PEI 25K. The results confirm that BGG is a potential group for developing non-viral gene vectors with high transfection efficacy.
- Wang, Dongli,Song, Jie,Wang, Jing,Zhang, Zhiyi,Shen, Qing,Wang, Jun,Guo, Haiyan,Wang, Ruifeng,Xie, Cao,Lu, Weiyue,Liu, Min
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- Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium-sulfur batteries
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Lithium-sulfur (Li-S) batteries have attracted wide attention due to their outstanding properties of high theoretical specific capacity and energy density. However, drawbacks such as the polysulfide shuttle effect have hampered their further practical application. Metal-organic frameworks (MOFs) have stimulated increasing interest in energy storage and conversion. In MOFs, the metal ions can be activated to provide open metal Lewis acid sites to restrain polysulfides. Aiming at sensible solutions, a novel manganese cluster-based MOF equipped with cubic cages, which are walled with abundant open-metal sites (OMSs) obtained from 9-manganese nodes, is used as the cathode host of Li-S batteries. The activated MOF not only provided physical capture and chemical adsorption against polysulfide shuttle but also allowed efficient impregnation of sulfur to facilitate mass transport. Benefiting from these synergetic effects, the composite cathode delivers enhanced electrochemical performance. The battery showed a remaining capacity of about 990 mA h g-1 after 200 cycles at 0.2C and an approximately repeatable rate performance. Significant contribution of the exposed functional metal sites was demonstrated by XPS and SEM of the electrode materials.
- Liu, Xiao-Fei,Guo, Xiao-Qing,Wang, Rui,Liu, Qing-Chao,Li, Zhong-Jun,Zang, Shuang-Quan,Mak, Thomas C. W.
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- Slipping synthesis of cucurbit[7]uril-based [2]rotaxane in organic environment
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A dumbbell molecule with one naphthalimide and one isophthalic acid stoppers was synthesized and could fold into the cavity of cucurbit[7]uril (CB[7]) in formic acid to form a 1:1 complex. Once the solution of the complex was heated, the CB[7] ring would slip over the isophthalic acid unit, producing a stable [2]rotaxane. The energy barrier (H?) of this slippage was estimated as 109 kJ mol-1.
- Huang, Xinghua,Huang, Shiyao,Zhai, Baoqi,Zhang, Yu,Xu, Yanan,Wang, Qiaochun
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- In situ generation of functionality in a reactive haloalkane-based ligand for the design of new porous coordination polymers
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Herein, we report new porous coordination polymers (PCPs) via a facile synthetic approach called "in situ generation of functionality in the ligand". Upon a synthetic process of PCPs, a neutral (-CH2OH) or a cationic functionality (-CH2-[4,4′-bipyridine]+) was generated on a isophthalate ligand from a reactive haloalkane (-CH 2Br) moiety, affording two new PCPs. The PCPs have two-dimensional layered structures with large potential solvent-accessible voids for CO 2 adsorption.
- Kanoo, Prakash,Matsuda, Ryotaro,Sato, Hiroshi,Li, Liangchun,Jeon, Hyung Joon,Kitagawa, Susumu
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- COMPOUND, POLYMER, PATTERN FORMING MATERIAL, AND MANUFACTURING METHOD OF SEMICONDUCTOR DEVICE
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A pattern forming material is configured to use for forming an organic film on a film to be processed, patterning the organic film, and then forming a composite film by infiltrating a metallic compound into the patterned organic film. The pattern forming material contains a polymer including a monomer unit represented by a general formula (3) described below, where R21 is H or CH3, each R22 is a hydrocarbon group of C2-14 where α carbon is primary carbon, secondary carbon or tertiary carbon, Q is a single bond or a hydrocarbon group of C1-20 carbon atoms which may include an oxygen atom, a nitrogen atom, or a sulfur atom between carbon-carbon atoms of or at a bond terminal, and a halogen atom may be substituted for the hydrogen atom.
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Paragraph 0016; 0159-0160
(2021/03/13)
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- FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES
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The disclosure provides, inter alia, safe and environmentally-friendly methods, such as flow chemistry, to synthesize isocyanates, such as methylene diphenyl diisocyanate, toluene diisocyanate, hexamethylene diisocyanate, isophorone diisocyanate, and tetramethylxylene diisocyanate.
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Paragraph 0175; 0186-0187; 0303-0305
(2021/06/22)
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- Peptidomimetic plasmepsin inhibitors with potent anti-malarial activity and selectivity against cathepsin D
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Following up the open initiative of anti-malarial drug discovery, a GlaxoSmithKline (GSK) phenotypic screening hit was developed to generate hydroxyethylamine based plasmepsin (Plm) inhibitors exhibiting growth inhibition of the malaria parasite Plasmodium falciparum at nanomolar concentrations. Lead optimization studies were performed with the aim of improving Plm inhibition selectivity versus the related human aspartic protease cathepsin D (Cat D). Optimization studies were performed using Plm IV as a readily accessible model protein, the inhibition of which correlates with anti-malarial activity. Guided by sequence alignment of Plms and Cat D, selectivity-inducing structural motifs were modified in the S3 and S4 sub-pocket occupying substituents of the hydroxyethylamine inhibitors. This resulted in potent anti-malarials with an up to 50-fold Plm IV/Cat D selectivity factor. More detailed investigation of the mechanism of action of the selected compounds revealed that they inhibit maturation of the P. falciparum subtilisin-like protease SUB1, and also inhibit parasite egress from erythrocytes. Our results indicate that the anti-malarial activity of the compounds is linked to inhibition of the SUB1 maturase plasmepsin subtype Plm X.
- Zogota, Rimants,Kinena, Linda,Withers-Martinez, Chrislaine,Blackman, Michael J.,Bobrovs, Raitis,Pantelejevs, Teodors,Kanepe-Lapsa, Iveta,Ozola, Vita,Jaudzems, Kristaps,Suna, Edgars,Jirgensons, Aigars
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supporting information
p. 344 - 352
(2018/12/11)
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- Novel organic eutectic HPNPS-1 and preparation method thereof
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The invention provides novel organic eutectic HPNPS-1. The novel organic eutectic HPNPS-1 has a structure represented as [(CH3HL)(HPNPS)], wherein (CH3H2L) has a structure represented as in FORMULA (1), the HPNPS has a structure represented as in FORMULA (2), the organic eutectic HPNPS-1 belongs to a triclinic system and the space group P-1 and has following cell parameters: a=9.4832(6) angstroms, b=10.5687(6) angstroms, c=13.1942(7) angstroms, alpha=69.803 degrees, beta=69.854 degrees, gamma=84.981 degrees, V=1164.383, and Z=2. The invention further provides a preparation method of the novel organic eutectic HPNPS-1.
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Paragraph 0017-0018
(2019/10/04)
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- Reversible photochromic and fluorescent switch bifunctional material and preparation method thereof
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The invention discloses a reversible photochromic and fluorescent switch bifunctional material. A chemical formula is [Eu2(L)(NO3)4(HOCH2CH2OH)2]n. A preparation method comprises synthesis of a ligand1,1'-di(3,5-dicarboxybenzyl)-4,4'-bipyridyl chloride H4LCl2 and preparation of [Eu2(L)(NO3)4(HOCH2CH2OH)2]n. The synthetic method has the advantages of simple process, easy availability of raw material, low cost, convenient operation, high yield and good reproducibility. When the light color changes from light yellow to dark blue, the crystal shape and structure of the bifunctional material be kept, and the appearance of a fluorescent on/off process can be generated in the process of discoloration, the reversible fluorescence on/off behavior and photochromic performance have not obvious change after repeated cycles, and the material has broad application prospects.
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Paragraph 0046; 0049; 0050; 0058; 0062; 0070; 0074
(2019/01/08)
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- With reversible photochromic performance of zinc complex single crystal and its preparation method (by machine translation)
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The invention discloses a reversible photochromic zinc complex single crystal and its preparation method, which belongs to the technical field of complex chemical function. Such complexes to 1 - (3, 5 - dicarboxylic acid phenyl) - 4, 4' - bipyridyl chloride are respectively connected with the six hydrated zinc nitrate and zinc chloride prepared by the method by the solvent. Ligand 1 - (3, 5 - dicarboxylic acid phenyl) - 4, 4 '- bipyridyl chloride is to 5 - methyl 3, 5 - dicarboxylic acid and 4, 4' - bipyridyl as raw materials by esterification, bromo, pro-nuclear substituted, hydrolysis method synthesis; the two complexes of the present invention single crystal is 1 - (3, 5 - dicarboxylic acid phenyl) - 4, 4' - bipyridyl chloride or zinc chloride and zinc nitrate respectively in acetonitrile and water in the mixed solvent, in the 120 - 130 °C constant temperature for 3 days, then under natural conditions to the room temperature, to obtain the complex single crystal. The composition of the invention with reversible photochromic properties, ultraviolet radiation and heat treatment under the circumstances that the color of the reversible change, and can keep the crystal shape does not change. (by machine translation)
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Paragraph 0048-0050
(2018/03/01)
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- BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE
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Provided herein are novel compounds of Formulae I-III, and methods of using the same to selectively inhibit BACE2.
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Paragraph 0140; 0141
(2017/05/02)
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- Vinyl dialkyl ester isophthalate monomer and liquid crystal polymer and preparation method thereof
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The invention discloses a vinyl dialkyl ester isophthalate monomer and a liquid crystal polymer and a preparation method thereof. The monomer can be used for preparing polymers with the molecular weight between one hundred thousand to two hundred thousand through ordinary free radical polymerization. The polymers can form multilayer hexagonal prism liquid crystal phase (phi h), Compared with carapace type liquid crystal macromolecules, the polymer provided by the invention can be easily synthesized; the initial raw material of methylisophthalic acid is a general reagent. Compared with a dendronized polymer, the polymer provided by the invention contains fewer two alkyl chains; the side chain self assembly capability is high; the multilayer structure phi phase material can be formed. Through the long alkyl chain crystallization-fusion transformation of the polymers, the material can be used as a phase change energy accumulation phi phase material.
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Paragraph 0036; 0037; 0038
(2017/07/19)
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- A systematic study of peripherally multiple aromatic ester-functionalized poly(benzyl ether) dendrons for the fabrication of organogels: Structure-property relationships and thixotropic property
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A new class of peripherally multiple aromatic ester-functionalized poly(benzyl ether) dendrons and/or dendrimers with different focal point substituents, surface groups, interior structures, as well as different generations have been synthesized and their structure-property relationships with respect to their gelation ability have been investigated systematically. Most of these dendrons are able to gel organic solvents over a wide polarity range. Evident dendritic effects were observed not only in gelation capability but also in thermotropic, morphological, and rheological characterizations. It was disclosed that subtle changes in peripheral ester functionalities and interior dendritic structures affected the gelation behavior of the dendrons significantly. Among all the dendrons studied, the second- and third-generation dendrons G0G2-Me and G0G3-Me with dimethyl isophthalates (DMIP) as peripheral groups exhibited the best capability in gelation, and stable gels were formed in more than 22 aromatic and polar organic solvents. The lowest critical gelation concentration (CGC) reached 2.0 mg mL-1, indicating that approximately 1.35×104 solvent molecules could be entrapped by one dendritic molecule. Further study on driving forces in gel formation was carried out by using a combination of single-crystal/powder X-ray diffraction (XRD) analysis and concentration- dependent (CD)/temperature-dependent (TD) 1H NMR spectroscopy. The results obtained from these experiments revealed that the multiple π-π stacking of extended π-systems due to the peripheral DMIP rings, cooperatively assisted by non-conventional hydrogen-bonding, is the key contributor in the formation of the highly ordered supramolecular and fibrillar network. In addition, these dendritic organogels exhibited unexpected thixotropic-responsive properties, which make them promising candidates with potential applications in the field of intelligent soft materials. s
- Feng, Yu,Liu, Zhi-Xiong,Chen, Hui,Yan, Zhi-Chao,He, Yan-Mei,Liu, Chen-Yang,Fan, Qing-Hua
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supporting information
p. 7069 - 7082
(2014/06/09)
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