Tag: 200-300

On March 31, 2011, Buckman, Brad; Nicholas, John B.; Beigelman, Leonid; Serebryany, Vladimir; Stoycheva, Antitsa Dimitrova; Thrailkill, Timothy; Seiwert, Scott D. published a patent.Recommanded Product: 4-Bromo-1H-benzo[d]imidazol-2(3H)-one The title of the patent was Preparation of macrocyclic peptides, especially proline-containing peptides, as inhibitors of hepatitis C virus replication for treating hepatitis C infection and liver fibrosis. And the patent contained the following:

The invention is related to the preparation of title compounds, e.g., I [R1 = COOBu-t, (un)substituted (hetero)aryl, etc.; R2 = (un)substituted 1-alkylbenzimidazol-2-yloxy, 2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinazolin-4-yloxy, 5-aryl-2H-tetrazol-2-yl, etc.; R3 = OH, NHSO2R3a, NHSO2OR3a; NHSO2NR3bR3c; R3a = (un)substituted alkyl, aryl, cycloalkyl, etc.; R3b, R3c = independently H, (un)substituted alkyl, C6 or C10 aryl, etc.; or NR3bR3c = (un)substituted 3-6 membered heterocyclyl bonded to the parent structure through a N ; with provisos], pharmaceutical acceptable salts and prodrugs and their compositions containing them as inhibitors of hepatitis C virus replication. The invention is also related to methods of treating a hepatitis C virus infection and methods of treating liver fibrosis. Thus, II·HCl was prepared by a multi-step synthesis and displayed an EC50 between 10 and 100 nM and an IC50 < 10 nM in an NS3-NS4 inhibitory activity assay. The experimental process involved the reaction of 4-Bromo-1H-benzo[d]imidazol-2(3H)-one(cas: 40644-16-4).Recommanded Product: 4-Bromo-1H-benzo[d]imidazol-2(3H)-one

The Article related to cyclic peptide preparation hepatitis c virus replication inhibitor, ns3 ns4a protease inhibitor hcv infection fibrosis macrocycle preparation, proline peptide peptidomimetic preparation inhibitor hcv replication and other aspects.Recommanded Product: 4-Bromo-1H-benzo[d]imidazol-2(3H)-one

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On January 9, 2020, Bartlett, Mark J.; Corkey, Britton Kenneth; Cosman, Jennifer Leigh; Elzein, Elfatih; Li, Xiaofen published a patent.Electric Literature of 40644-16-4 The title of the patent was Preparation of indoles, azaindoles and related bicyclic nitrogen heterocycles useful in treatment of diseases. And the patent contained the following:

The invention relates to preparation of indoles, azaindoles and related bicyclic nitrogen heterocycles of formula (I), or a pharmaceutically acceptable salt thereof, as enzyme indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. Compounds I wherein Y1 is O or N; the dotted line is a single bond that is present or absent; X1, X2 and X4 each independently is N or CH; X3 is N or CRa; Ra is H, halo, C1-4 alkyl; X5 is N, C or CRb; X6 is N or CRc; X7 is N or CRd; X8 is N or CRe; Rb-Re and R1 each independently is H, halo, or CN; R2 is C1-6 alkyl, C1-6 haloalkyl, C1-6 haloalkoxy; etc., are claimed. The example compound II was prepared via two-step synthesis using 4-bromo-3,3-dimethylindolin-2-one as starting material (procedure given). Compounds I were evaluated for IDO1-inhibitory activity (data given). Compounds I can be useful in mono- amd combination therapy of cancer and viral infections (e.g. HIV and HBV). The experimental process involved the reaction of 4-Bromo-1H-benzo[d]imidazol-2(3H)-one(cas: 40644-16-4).Electric Literature of 40644-16-4

The Article related to indole preparation ido1 inhibitor antitumor hbv hiv antiviral therapy, azaindole preparation ido1 inhibitor cancer viral infection combination therapy, bicyclic nitrogen heterocycle preparation ido1 inhibitor immunotherapy anticancer antiviral and other aspects.Electric Literature of 40644-16-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Planar perovskite solar cells with long-term stability using ionic liquid additives》 were Bai, Sai; Da, Peimei; Li, Cheng; Wang, Zhiping; Yuan, Zhongcheng; Fu, Fan; Kawecki, Maciej; Liu, Xianjie; Sakai, Nobuya; Wang, Jacob Tse-Wei; Huettner, Sven; Buecheler, Stephan; Fahlman, Mats; Gao, Feng; Snaith, Henry J.. And the article was published in Nature (London, United Kingdom) in 2019. Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate The author mentioned the following in the article:

Solar cells based on metal halide perovskites are one of the most promising photovoltaic technologies1-4. Over the past few years, the long-term operational stability of such devices has been greatly improved by tuning the composition of the perovskites5-9, optimizing the interfaces within the device structures10-13, and using new encapsulation techniques14,15. However, further improvements are required in order to deliver a longer-lasting technol. Ion migration in the perovskite active layer-especially under illumination and heat-is arguably the most difficult aspect to mitigate16-18. Here we incorporate ionic liquids into the perovskite film and thence into pos.-intrinsic-neg. photovoltaic devices, increasing the device efficiency and markedly improving the long-term device stability. Specifically, we observe a degradation in performance of only around five per cent for the most stable encapsulated device under continuous simulated full-spectrum sunlight for more than 1,800 h at 70 to 75°C, and estimate that the time required for the device to drop to eighty per cent of its peak performance is about 5,200 h. Our demonstration of long-term operational, stable solar cells under intense conditions is a key step towards a reliable perovskite photovoltaic technol. In the experiment, the researchers used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Incorporation of an ionic liquid into a midblock-sulfonated multiblock polymer for CO2 capture》 were Dai, Zhongde; Ansaloni, Luca; Ryan, Justin J.; Spontak, Richard J.; Deng, Liyuan. And the article was published in Journal of Membrane Science in 2019. Computed Properties of C8H15BF4N2 The author mentioned the following in the article:

In the present work, hybrid block ionomer/ionic liquid (IL) membranes containing up to 40 wt% IL are prepared by incorporating 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) into a midblock-sulfonated pentablock polymer (Nexar) that behaves as a thermoplastic elastomer. Various anal. techniques, including thermogravimetric anal. (TGA), Fourier-transform IR (FTIR) spectroscopy, small-angle X-ray scattering (SAXS), and water sorption have been employed to characterize the resultant membrane materials. Single- and mixed-gas permeation tests have been performed at different relative humidity conditions to evaluate membrane gas-separation performance and interrogate the mol. transport of CO2 through these membranes. Addition of IL to Nexar systematically enhances CO2 permeability through membranes in the dry state. Introduction of water vapor into the gas feed further promotes CO2 transport, yielding a maximum permeability of 194 Barrers and a maximum CO2/N2 selectivity of 128 under different test conditions. These results confirm that humidified Nexar/IL hybrid membranes constitute promising candidates for the selective removal, and subsequent capture, of CO2 from mixed gas streams to reduce the environmental contamination largely responsible for global climate change. In the experiment, the researchers used many compounds, for example, 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Computed Properties of C8H15BF4N2)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. Computed Properties of C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions》 were Cui, Kai; Yethiraj, Arun; Schmidt, J. R.. And the article was published in Journal of Physical Chemistry B in 2019. Computed Properties of C8H15BF4N2 The author mentioned the following in the article:

Scaled-charge force fields (FFs) are widely employed in the simulation of neat ionic liquids (ILs), where the charges on the ions are empirically scaled to approx. account for electronic polarization and/or charge transfer. Such charge scaling has been found to yield significant improvement in liquid-state thermodn. and dynamic properties (when compared to experiment). However, the mean field approximation inherent in charge scaling becomes suspect when applied to IL mixtures or solutions In this work, we simulate solutions of IL with various nonpolar and polar gas solutes and compare results of charge-scaled and polarizable FFs to experiment Our results demonstrate that scaling of the Coulomb interaction inherent in scaled-charge FFs leads to an underestimation of the solute-solvent electrostatic interaction and thus also the enthalpy and free energy of solvation; this effect is particularly pronounced for polar solutes. In some cases, we find that this artificial reduction in the solute-solvent interaction can also alter the apparent phase behavior of the resulting solution Overall, the totality of our results suggests that explicit polarization (rather than charge scaling) is likely necessary to provide high transferability to both neat IL and IL mixtures and solutions3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Computed Properties of C8H15BF4N2) was used in this study.

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. Computed Properties of C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Screening of ionic liquids for extraction of flavonoids from heather》 were Drozdz, Paulina; Pyrzynska, Krystyna. And the article was published in Natural Product Research in 2019. Application of 174501-65-6 The author mentioned the following in the article:

Room temperature ionic liquids are novel solvents with the specific properties that makes them of interest for application for extraction for a wide range of compounds In this work extraction efficiency of flavonoids from heather flowers using ionic liquids based on imidazolium cation were evaluated and compared with organic solvents. It was found that the anion of ionic liquid significantly influence the extraction yields. Flavonoid content as well as antioxidant activity based on radical scavenging on 1,1-diphenul-2-pirylhydrazyl radicals and cupric reducing antioxidant capacity increased in the order: [Bmim]PF6 < [Bmim]BF4 < [Bmim]Cl. The obtained extraction yield using [Bmim]Cl were higher than reported for 60% ethanol and Et acetate under similar conditions, thus, may be helpful for better utilization of heather flowers as the potential pharmaceutical and nutraceutical ingredients. In the experimental materials used by the author, we found 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Application of 174501-65-6)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Application of 174501-65-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acidIn 2020 ,《Strong Adverse Contribution of Conformational Dynamics to Streptavidin-Biotin Binding》 was published in Journal of Physical Chemistry B. The article was written by Sarter, Mona; Niether, Doreen; Koenig, Bernd W.; Lohstroh, Wiebke; Zamponi, Michaela; Jalarvo, Niina H.; Wiegand, Simone; Fitter, Joerg; Stadler, Andreas M.. The article contains the following contents:

Mol. dynamics plays an important role for the biol. function of proteins. For protein ligand interactions, changes of conformational entropy of protein and hydration layer are relevant for the binding process. Quasielastic neutron scattering (QENS) was used to investigate differences in protein dynamics and conformational entropy of ligand-bound and ligand-free streptavidin. Protein dynamics were probed both on the fast picosecond time scale using neutron time-of-flight spectroscopy and on the slower nanosecond time scale using high-resolution neutron backscattering spectroscopy. We found the internal equilibrium motions of streptavidin and the corresponding mean square displacements (MSDs) to be greatly reduced upon biotin binding. On the basis of the observed MSDs, we calculated the difference of conformational entropy ΔSconf of the protein component between ligand-bound and ligand-free streptavidin. The rather large neg. ΔSconf value (-2 kJ mol-1 K-1 on the nanosecond time scale) obtained for the streptavidin tetramer seems to be counterintuitive, given the exceptionally high affinity of streptavidin-biotin binding. Literature data on the total entropy change ΔS observed upon biotin binding to streptavidin, which includes contributions from both the protein and the hydration water, suggest partial compensation of the unfavorable ΔSconf by a large pos. entropy gain of the surrounding hydration layer and water mols. that are displaced during ligand binding. The experimental process involved the reaction of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid)

5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5) may be used to elute proteins from avidin/streptavidin resins. It has been used for culturing of oligodendrocytes.Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid And it has been used as a vitamin supplement for the growth of Bacillus species.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids》 was written by Park, Suehyun; McDaniel, Jesse G.. Reference of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate And the article was included in Journal of Chemical Physics in 2020. The article conveys some information:

Ionic liquids are widely used as electrolytes in electronic devices in which they are subject to nanoconfinement within nanopores or nanofilms. Because the intrinsic width of an elec. double layer is on the order of several nanometers, nanoconfinement is expected to fundamentally alter the double layer properties. Furthermore, in confined systems, a large portion of the ions are interfacial, e.g., at the electrode interface, leading to significant deviations of electrostatic screening and ion dynamics as compared to bulk properties. In this work, we systematically investigate the interference between elec. double layers for nanoconfined ionic liquids and the resulting influence on the structure, dynamics, and screening behavior. We perform mol. dynamics simulations for the ionic liquids [BMIm+][BF-4] and [BMIm+][PF-6] confined between two flat electrodes at systematic separation distances between 1.5 nm and 4.5 nm for both conducting and insulating boundary conditions. We find that while ion dynamics is expectedly slower than in the bulk (by ∼2 orders of magnitude), there is an unexpected non-linear trend with the confinement length that leads to a local maximum in dynamic rates at ∼3.5-4.5 nm confinement. We show that this nonlinear trend is due to the ion correlation that arises from the interference between opposite double layers. We further evaluate confinement effects on the ion structure and capacitance and investigate the influence of electronic polarization of the ionic liquid on the resulting properties. This systematic evaluation of the connection between electrostatic screening and structure and dynamics of ionic liquids in confined systems is important for the fundamental understanding of electrochem. supercapacitors. (c) 2020 American Institute of Physics. In addition to this study using 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, there are many other studies that have used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Reference of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate) was used in this study.

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Reference of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Spectroscopic and Photo-Physical Properties of Near-IR Laser Dye in Novel Benign Green Solvents》 was written by Al-Aqmar, Dalal M.; Al-Shamiri, Hamdan A. S.; Al-Shareef, Jamal M.; Abou Kana, Maram T. H.; Kandel, Hamed M.. HPLC of Formula: 174501-65-6 And the article was included in Journal of Fluorescence in 2020. The article conveys some information:

IR-792 as near IR (NIR) laser dye was dissolved with different concentrations in two types of ionic liquids (ILs) of different anion and cation, 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide (EMIM TFSI) & 1-Butyl-3-methylimidazolium tetrafluoroborate (BMIM BF4), as the benign green solvent and in methanol (MeOH) as a standard solvent. The behavior of fluorescence of IR-792 dye was studied. The fluorescence of IR-792 dissolved in the ILs was heavily compared to organic solvent. Some photo-phys. parameters of IR-792 were calculated Mainly, IR-792 had a very low quantum yield of fluorescence with high intersystem crossing rate & fluorescence lifetime in picosecond range. Optical absorption and behavior of fluorescence for the rigorously the purified imidazolium ILs in the neat condition and effect of IR-792 on their fluorescence have been examined The emission behavior of IR-792 in green solvents was independent upon the wavelength of excitation, while the emission behavior of green solvents dependent upon the wavelength of excitation whether in pure state or with NIR laser dye. At most, the intensity of fluorescence of ILs is dependent upon dye concentration In addition to this study using 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, there are many other studies that have used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6HPLC of Formula: 174501-65-6) was used in this study.

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. HPLC of Formula: 174501-65-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Gas-Phase Binding Energies and Dissociation Dynamics of 1-Alkyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquid Clusters》 was written by Roy, H. A.; Hamlow, L. A.; Rodgers, M. T.. COA of Formula: C8H15BF4N2 And the article was included in Journal of Physical Chemistry A in 2020. The article conveys some information:

Ionic liquids (ILs) have become increasingly popular due to their useful and unique properties, yet there are still many unanswered questions regarding their fundamental interactions. In particular, details regarding the nature and strength of the intrinsic cation-anion interactions and how they influence the macroscopic properties of ILs are still largely unknown. Elucidating the mol.-level details of these interactions is essential to the development of better models for describing ILs and enabling the purposeful design of ILs with properties tailored for specific applications. Current uses of ILs are widespread and diverse and include applications for energy storage, electrochem., designer/green solvents, separations, and space propulsion. To advance the understanding of the energetics, conformations, and dynamics of gas-phase IL clustering relevant to space propulsion, threshold collision-induced dissociation approaches are used to measure the bond dissociation energies (BDEs) of the 2:1 clusters of 1-alkyl-3-methylimidazolium cations and tetrafluoroborate, [2Cnmim:BF4]+. The cation, [Cnmim]+, is varied across the series, 1-ethyl-3-methylimidazolium [C2mim]+, 1-butyl-3-methylimidazolium [C4mim]+, 1-hexyl-3-methylimidazolium [C6mim]+, and 1-octyl-3-methylimidazolium [C8mim]+, to examine the structural and energetic effects of the size of the 1-alkyl substituent on binding. Complementary electronic structure calculations are performed to determine the structures and energetics of the [Cnmim]+ and [BF4]- ions and their binding preferences in the (Cnmim:BF4) ion pairs and [2Cnmim:BF4]+ clusters. Several levels of theory, B3LYP, B3LYP-GD3BJ, and M06-2X, using the 6-311+G(d,p) basis set for geometry optimizations and frequency analyses and the 6-311+G(2d,2p) basis set for energetics, are benchmarked to examine their abilities to properly describe the nature of the binding interactions and to reproduce the measured BDEs. The modest structural variation among these [Cnmim]+ cations produces only minor structural changes and variation in the measured BDEs of the [2Cnmim:BF4]+ clusters. Present findings indicate that the dominant cation-anion interactions involve the 3-methylimidazolium moieties and that these clusters are sufficiently small that differences in packing effects associated with the variable length of the 1-alkyl substituents are not yet significant. The experimental process involved the reaction of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6COA of Formula: C8H15BF4N2)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. COA of Formula: C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem