- Selective and reusable iron(II)-based molecular sensor for the vapor-phase detection of alcohols
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A mononuclear iron(II) neutral complex (1) is screened for sensing abilities for a wide spectrum of chemicals and to evaluate the response function toward physical perturbation like temperature and mechanical stress. Interestingly, 1 precisely detects methanol among an alcohol series. The sensing process is visually detectable, fatigue-resistant, highly selective, and reusable. The sensing ability is attributed to molecular sieving and subsequent spin-state change of iron centers, after a crystal-to-crystal transformation.
- Naik, Anil D.,Robeyns, Koen,Meunier, Christophe F.,Leonard, Alexandre F.,Rotaru, Aurelian,Tinant, Bernard,Filinchuk, Yaroslav,Su, Bao Lian,Garcia, Yann
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Read Online
- The synthesis, property and reduction of high-nitrogen compound 3,3′,5,5′-tetraazido-4,4′-bis(1,2,4-triazole)
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High-nitrogen compound, 3,3′,5,5′-tetraazido-4,4′-bis(1,2,4-triazole) (TABT, 83.99% N), is synthesized from sodium azide and 3,3′,5,5′-tetrabromo-4,4′-bis(1,2,4-triazole) (TBBT) which is prepared by the bromination of 4,4′-bis(1,2,4-triazole) (BTz). It is fully characterized by IR, HRMS, NMR, and single crystal X-ray diffraction showing two triazole rings of TABT perpendicular to each other. DSC and TGA are employed to study TABT's thermal stability with a decomposition temperature at 125.39?°C (onset). The calculated detonation heat of TABT and the predicted detonation velocity are 6449?kJ·kg?1and 8649?m·s?1, respectively. The reduction of TABT with hydrogen and Pd/C gave the stabilized 3,3′,5,5′-tetra(t-butyloxycarbamido)-4,4′-bis(1,2,4-triazole) (11) in the presence of (Boc)2O, providing an alternative path to the high energy density material (HDEM) TNBT [3,3′,5,5′-tetranitro-4,4′-bis(1,2,4-triazole)].
- Lu, Feipeng,Wang, Engyu,Huang, Jinglun,Huang, Ming,Nie, Fude,Chen, Fu-Xue
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Read Online
- Highly N/O co-doped ultramicroporous carbons derived from nonporous metal-organic framework for high performance supercapacitors
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A new nonporous Zn-based metal-organic framework (NPMOF) synthesized from a high nitrogen-containing rigid ligand was converted into porous carbon materials by direct carbonization without adding additional carbon sources. A series of NPMOF-derived porous carbons with very high N/O contents (24.1% for NPMOF-700, 20.2% for NPMOF-800, 15.1% for NPMOF-900) were prepared by adjusting the pyrolysis temperatures. The NPMOF-800 fabricated electrode exhibits a high capacitance of 220 F/g and extremely large surface area normalized capacitance of 57.7 μF/cm2 compared to other reported MOF-derived porous carbon electrodes, which could be attributed to the abundant ultramicroporosity and high N/O co-doping. More importantly, symmetric supercapacitor assembled with the MOF-derived carbon manifests prominent stability, i.e., 99.1% capacitance retention after 10,000 cycles at 1.0 A/g. This simple preparation of MOF-derived porous carbon materials not only finds an application direction for a variety of porous or even nonporous MOFs, but also opens a way for the production of porous carbon materials for superior energy storage.
- Gu, Yangyi,Miao, Ling,Yin, Ying,Liu, Mingxian,Gan, Lihua,Li, Liangchun
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supporting information
p. 1491 - 1496
(2020/10/19)
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- Practical Synthesis of Cap-4 RNA
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Eukaryotic mRNAs possess 5′ caps that are determinants for their function. A structural characteristic of 5′ caps is methylation, with this feature already present in early eukaryotes such as Trypanosoma. While the common cap-0 (m7GpppN) shows
- Leiter, Josef,Reichert, Dennis,Rentmeister, Andrea,Micura, Ronald
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p. 265 - 271
(2019/11/16)
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- C6–O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents
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African trypanosomiasis, a deadly infectious disease caused by the protozoan Trypanosoma brucei spp., is spread to new hosts by bites of infected tsetse flies. Currently approved therapies all have their specific drawbacks, prompting a search for novel th
- Hulpia, Fabian,Bouton, Jakob,Campagnaro, Gustavo D.,Alfayez, Ibrahim A.,Mabille, Dorien,Maes, Louis,de Koning, Harry P.,Caljon, Guy,Van Calenbergh, Serge
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- Isosteric Substitution of 4 H-1,2,4-Triazole by 1 H-1,2,3-Triazole in Isophthalic Derivative Enabled Hydrogel Formation for Controlled Drug Delivery
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In this work, we demonstrated that the simple substitution of the 1,2,4-triazole moiety in 5-(4H-1,2,4-triazol-4-yl)isophthalic acid (5-TIA) by the 1H-1,2,3-triazol-5-yl unit enables the preparation of a hydrogelator (click-TIA). In sharp contrast to 5-TIA, its isostere click-TIA undergoes self-assembly in water upon sonication, leading to the formation of stable supramolecular viscoelastic hydrogels with a critical gelation concentration of 6 g/L. Hydrogels made of click-TIA as well as hybrid hydrogels made of the mixture click-TIA + 5-TIA (molar ratio 1:0.2) were used to compare different properties of the materials (i.e., rheological properties, thermal properties, mechanical stability, morphology). In terms of toxicity, neither click-TIA nor 5-TIA showed cytotoxic effects on cellular viability of HeLa cells up to 2.3 × 10-3 g/L when compared to untreated cells incubated with DMSO. Furthermore, the hydrogels were used for the encapsulation and in vitro controlled release of oxytetracycline that followed first-order kinetics. For the hydrogel made of click-TIA, a maximum drug release of ~60% was reached after ~8 h within a pH range between 6.5 and 10. However, the release rate was reduced to approximately half of its value at pH values between 1.2 and 5.0, whereas the use of hybrid hydrogels made of click-TIA + 5-TIA allowed to reduce the original rate at pH ≤ 6.5.
- H?ring, Marleen,Rodríguez-López, Julio,Grijalvo, Santiago,Tautz, Markus,Eritja, Ramón,Martín, Víctor S.,Díaz Díaz, David
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p. 2963 - 2972
(2018/08/17)
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- Practical Synthesis of a 6-Triazolylazabicyclo[3.1.0]hexane
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We describe a practical, scalable synthesis of an advanced heterocyclic intermediate, (1R,5S,6s)-6-(4H-1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane. A robust synthetic sequence based on a Kulinkovich-de Meijere pyrroline cyclopropanation followed by tran
- Sirois, Lauren E.,Xu, Jie,Angelaud, Remy,Lao, David,Gosselin, Francis
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p. 728 - 735
(2018/06/26)
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- METHODS AND CATALYSTS FOR CONVERTING METHANE TO METHANOL
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The invention encompasses methods of directly converting methane- to methanol The invention further encompasses catalysts that efficiently afford this transformation at low temperatures. Exemplary embodiments encompassed by the invention include a gas stream containing methane gas and oxygen,—which is passed over an oxygen-activated catalyst to directly form methanol
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Paragraph 0154
(2018/06/15)
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- Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions
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Microporous metal organic frameworks (MOFs) show promising application in several fields, but they often suffer from the weak robustness and stability after the removal of guest molecules. Here, three isostructural cationic metal-organic frameworks {[(Cu4Cl)(cpt)4(H2O)4]·3X·4DMAc·CH3OH·5H2O} (FJU-14, X = NO3, ClO4, BF4; DMAc = N,N′-dimethylacetamide) containing two types of polyhedral nanocages, one octahedron, and another tetrahedron have been synthesized from bifunctional organic ligands 4-(4H-1,2,4-triazol-4-yl) benzoic acid (Hcpt) and various copper salts. The series of MOFs FJU-14 are demonstrated as the first examples of the isostructural MOFs whose robustness, thermal stability, and CO2 capacity can be greatly improved via rational modulation of counteranions in the tetrahedral cages. The activated FJU-14-BF4-a containing BF4- anion can take CO2 of 95.8 cm3 cm-3 at ambient conditions with an adsorption enthalpy only of 18.8 kJ mol-1. The trapped CO2 density of 0.955 g cm-3 is the highest value among the reported MOFs. Dynamic fixed bed breakthrough experiments indicate that the separation of CO2/N2 mixture gases through a column packed with FJU-14-BF4-a solid can be efficiently achieved. The improved robustness and thermal stability for FJU-14-BF4-a can be attributed to the balanced multiple hydrogen-bonding interactions (MHBIs) between the BF4- counteranion and the cationic skeleton, while the high-density and low-enthalpy CO2 capture on FJU-14-BF4-a can be assigned to the multiple-point interactions between the adsorbate molecules and the framework as well as with its counteranions, as proved by single-crystal structures of the guest-free and CO2-loaded FJU-14-BF4-a samples.
- Ye, Yingxiang,Xiong, Shunshun,Wu, Xiaonan,Zhang, Liuqin,Li, Ziyin,Wang, Lihua,Ma, Xiuling,Chen, Qian-Huo,Zhang, Zhangjing,Xiang, Shengchang
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supporting information
p. 292 - 299
(2016/01/15)
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- Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units
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Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2(COO2)4} nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups.
- Yao, Zizhu,Zhang, Zhangjing,Liu, Lizhen,Li, Ziyin,Zhou, Wei,Zhao, Yunfeng,Han, Yu,Chen, Banglin,Krishna, Rajamani,Xiang, Shengchang
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p. 5676 - 5683
(2016/04/20)
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- Synthesis of xylylene-bridged dipalladium complexes with imidazole and triazole-based di-N-heterocyclic carbene (NHC) ligands
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The di-N-heterocyclic carbene (NHC) dipalladium complexes, [(PdPyBr2)2(di-NHCimi)] and [(PdPyBr2)2(di-NHCtri)], di-NHCimi and di-NHCtri represent an imidazolylidene and a triazolylidene, respectively, featuring a 1,4-xylylene spacer between the carbene units, have been prepared. The influences of the imidazolylidene and triazolidene backbone and different substituents on the catalytic activity have been investigated in the Mizoroki-Heck reaction of styrene with bromobenzene.
- Du, Yufeng,Tang, Huiling,Ding, Hong,Shi, Yanhui,Cao, Changsheng,Pang, Guangsheng
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p. 735 - 739
(2016/12/30)
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- Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction
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Two self-assembled isostructural functionalized metal-organic nanotubes have been synthesized using 5-triazole isophthalic acid (5-TIA) with In(iii) and Cd(ii). In- and Cd-5TIA possess one-dimensional (1D) nanotubular architecture and show proton conducti
- Panda, Tamas,Kundu, Tanay,Banerjee, Rahul
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supporting information; experimental part
p. 5464 - 5466
(2012/07/28)
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- Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: Crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles
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The reaction of N,N′-dimethylformamide azine (DMFA) or its dihydrochloride derivative (DMFA·2HCl) with o-RO(O)CC6H 4NH2 (R = Me, Et) leads to co-crystallization products o-RO(O)CC6H4NH2·DMFA (R = Me, Et), while the same reaction of DMFA·2HCl with m- and p-RO(O)CC6H 4NH2 (R = Me, Et) provides the corresponding 4-substituted 1,2,4-triazoles (1-4). Reaction of the same m- and p-substituted amines with DMFA has failed, while addition of a few drops of HCl or HNO3 in this reaction mixture has allowed us to obtain the corresponding triazole derivatives. Thus, the direct transamination reaction with the formation of triazoles 1-4 is catalysed by acidic catalysts. Molecular structures of DMFA, o-EtO(O)CC6H4NH2·DMFA and 3 were elucidated by X-ray diffraction. The Royal Society of Chemistry 2012.
- Railliet, Antoine P.,Safin, Damir A.,Robeyns, Koen,Garcia, Yann
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experimental part
p. 4812 - 4818
(2012/08/14)
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- Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)
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Three new metal-organic framework isomers have been synthesized by using the organic linker 5-triazole isophthalic acid and Mn(NO3) 2·xH2O. Structural conversions from non-porous to porous MOFs due to the template effect have been observed. The cross-sectional pore apertures of the resulting Mn-MOFs are comparable to the molecular dimensions of the template (pyrazine and 4,4′-bipyridine). The periodic increased porosity in Mn-MOFs depending on the size of the template used has been further confirmed by the CO2 adsorption isotherms.
- Panda, Tamas,Pachfule, Pradip,Banerjee, Rahul
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supporting information; experimental part
p. 7674 - 7676
(2011/09/15)
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- Preparation and N-alkylation of 4-Aryl-1,2,4-triazoles
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Heating of N,N-dimethylformamide azine dihydrochloride {N-[(dimethylamino) methylene]-N,N-dimethylhydrazonoformamide dihydrochloride} with anilines in the absence of a solvent gave a range of 4-aryl-1,2,4-triazoles by direct transamination. Ortho-substituents were tolerated. Some triazoles were converted into symmetrically and nonsymmetrically substituted bistriazolium salts, one of which was converted into a dicopper complex. Georg Thieme Verlag Stuttgart - New York.
- Holm, Stefanie C.,Siegle, Alexander F.,Loos, Christian,Rominger, Frank,Straub, Bernd F.
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scheme or table
p. 2278 - 2286
(2010/08/20)
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- DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS
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The invention relates to compounds of formula (I) wherein R1 to R8 and X1, X2 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.
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Page/Page column 45-46
(2009/09/05)
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- DIPHENYL SUBSTITUTED CYCLOALKANES
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The present invention provides compounds of Formula I which are FLAP inhibitors useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.
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Page/Page column 60
(2009/05/28)
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- A simplified approach to N- and N,N′-linked 1,2,4-triazoles by transamination
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A facile one-step procedure for the preparation of 4,4′-bis-1,2,4- triazole is reported. Direct transamination of N,N-dimethyl-formamide azine dihydrochloride by heating with 4-amino-1,2,4-triazole in refluxing benzene readily yields the target molecule in short duration of time with significant yield (73%). This catalyst-free method was extended to synthesise a series of 4-substituted 1,2,4-triazoles of potential interest in coordination chemistry. Georg Thieme Verlag Stuttgart.
- Naik, Anil D.,Marchand-Brynaert, Jacqueline,Garcia, Yann
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p. 149 - 154
(2008/09/20)
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- DIPHENYL SUBSTITUTED ALKANES
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The instant invention provides compounds of Formula I which are 5-lipoxygenase activating protein inhibitors: formula (I). Compounds of Formula I are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.
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Page/Page column 118
(2009/01/23)
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- Functionalized polynucleotide compound, optionally marked and method for detecting a target nucleic acid
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The invention relates to a functionalized compound of general formula (I): in whichW represents a nucleotide analog,L represents a linker arm comprising at least four atoms,R1 represents a linear or branched alkyl chain, A functionalized polynucleotide comprising at least one said compound and a labeled functionalized polynucleotide comprising at least one functionalized compound corresponding to the formula (I′). A method for detecting a target nucleic acid using a said compound is described.
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Page/Page column 17
(2010/02/11)
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