Month: September 2022

Reference of 2-(1H-Benzo[d]imidazol-2-yl)anilineIn 2019, Anand, Thangaraj;Sahoo, Suban K. published 《Cost-effective approach to detect Cu(II) and Hg(II) by integrating a smartphone with the colorimetric response from a NBD-benzimidazole based dyad》. 《Physical Chemistry Chemical Physics》published the findings. The article contains the following contents:

A new optical chemosensor N1 was designed and synthesized by condensing 4-chloro-7-nitrobenzofurazan with 2-aminophenylbenzimidazole. In CH₃OH : H₂O (1 : 1, volume/volume) medium, sensor N1 exhibited high selectivity and sensitivity towards Cu²⁺ and Hg²⁺ ions by showing a distinct color change from pale yellow to pink due to the internal charge transfer occurring between the sensor N1 and the Cu²⁺/Hg²⁺ ions upon complexation in 1 : 1 stoichiometry. Also, the binding of Cu²⁺ and Hg²⁺ ions with N1 resulted in new absorption bands at 540 nm and 375 nm with the concurrent disappearance of the sensor absorption bands at 485 nm and 321 nm. Using the spectral changes of N1, the concentrations of Cu²⁺ and Hg²⁺ ions can be detected down to 1.23 × 10^-7 M and 4.70 × 10^-7 M, resp. Further, the color change of N1 in the presence of Cu²⁺/Hg²⁺ ions was integrated with a smartphone color-scanning app to measure the red-green-blue (RGB) color intensity, and a cost-effective method was developed for the on-site detection of Cu²⁺/Hg²⁺ ions. Finally, the practicability of sensor N1 to quantify Cu²⁺ and Hg²⁺ ions in real water samples was successfully validated by using both the UV-vis spectrophotometer and the smartphone. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Reference of 2-(1H-Benzo[d]imidazol-2-yl)aniline) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Maji, Abhishek;Pal, Siddhartha;Lohar, Somenath;Mukhopadhyay, Subhra Kanti;Chattopadhyay, Pabitra published 《A new turn-on benzimidazole-based greenish-yellow fluorescent sensor for Zn²⁺ ions at biological pH applicable in cell imaging》. The research results were published in《New Journal of Chemistry》 in 2017.Formula: C13H11N3 The article conveys some information:

A newly designed and structurally characterized benzimidazole containing compound, 2,4-di-tert-butyl-6-(5,6-dihydro benzo[4,5] imidazo [1,2-c] quinazolin-6-yl)-phenol (HL), behaves as a turn-on fluorescent sensor selective for Zn²⁺ ions at as low as 39.91 nM within a very short responsive time (15-20 s) in 5 mM HEPES buffer (DMSO/water: 1/5, volume/volume) at biol. pH. Thorough exptl. and theor. (DFT) studies indicate the occurrence of greenish yellow fluorescence through a chelation enhanced fluorescence (CHEF) process. Using this organic moiety (HL) as a probe, almost no interference of other competitive ions in the detection of Zn²⁺ ions was observed The reaction of HL with Zn²⁺ led to the in situ formation of a tridentate monobasic ligand (HL¹) to produce the complex as [Zn(L¹)₂] through a [1,5] sigmatropic-type shift of HL prior to metal coordination. HL is also capable of detecting the intercellular distribution of Zn²⁺ ions in Candida sp. cells under a fluorescence microscope by developing the image. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Formula: C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Zhang, Juyan;Zhang, Lan;Zhao, Yunlong;Meng, Jiashen;Wen, Bohua;Muttaqi, Kashem M.;Islam, Rabiul Md.;Cai, Qiong;Zhang, Suojiang published 《High-Performance Rechargeable Aluminum-Ion Batteries Enabled by Composite FeF₃ @ Expanded Graphite Cathode and Carbon Nanotube-Modified Separator》 in . The article was appeared in 《Advanced Energy Materials》. They have made some progress in their research.Computed Properties of C6H11ClN2 The article mentions the following:

Rechargeable aluminum ion batteries (AIBs) are one of the most promising battery technologies for future large-scale energy storage due to their high theor. volumetric capacity, low-cost, and high safety. However, the low capacity of the intercalation-type cathode materials reduces the competitiveness of AIBs in practical applications. Herein, a conversion-type FeF₃-expanded graphite (EG) composite is synthesized as a novel cathode material for AIBs with good conductivity and cycle stability. Combined with the introduction of a single-wall carbon nanotube modified separator, the shuttle effect of the intermediate product, FeCl₂, is significantly restrained. Moreover, enhanced coulombic efficiency and reversible capacity are achieved. The AIB exhibits a satisfying reversible specific capacity of 266 mAh g^-1 at 60 mA g^-1 after 200 cycles, and good Coulombic efficiency of nearly 100% after 400 cycles at a c.d. of 100 mA g^-1. Ex situ X-ray diffraction and XPS are applied to explore the energy storage mechanism of FeF₃ in AIBs. The results reveal that the intercalation of Al³⁺ species and the reduction of Fe³⁺ species occurrs in the discharge process. These findings are meaningful for the fundamental understanding of the FeF₃ cathode for AIBs and provide unprecedented insight into novel conversion type cathode materials for AIBs.1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) were involved in the experimental procedure.

1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a solvent as well as catalyst for the depolymerization of oak wood lignin; a solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brønsted acid catalysts.Computed Properties of C6H11ClN2

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Pierens, Gregory K.;Venkatachalam, T. K.;Reutens, David C. published 《Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model》 in 2016. The article was appeared in 《Magnetic Resonance in Chemistry》. They have made some progress in their research.Category: imidazoles-derivatives The article mentions the following:

A comparative study of exptl. and calculated NMR chem. shifts of six compounds comprising 2-amino and 2-hydroxy Ph benzoxazoles/benzothiazoles/benzimidazoles in four solvents is reported. The benzimidazoles showed interesting spectral characteristics, which are discussed. The proton and carbon chem. shifts were similar for all solvents. The largest chem. shift deviations were observed in benzene. The chem. shifts were calculated with d. functional theory using a suite of four functionals and basis set combinations. The calculated chem. shifts revealed a good match to the exptl. observed values in most of the solvents. The mean absolute error was used as the primary metric. The use of an addnl. metric is suggested, which is based on the order of chem. shifts. The DP4 probability measures were also used to compare the exptl. and calculated chem. shifts for each compound in the four solvents. Copyright © 2015 John Wiley & Sons, Ltd.2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) were involved in the experimental procedure.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Category: imidazoles-derivatives) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Qu, Minghe;Li, Shenshen;Chen, Jian;Xiao, Yunqin;Xiao, Jijun published 《Molecular dynamics simulations of ionic liquid/poly(vinylidene fluoride) systems: Ion transport with different anions》 in 2022. The article was appeared in 《Solid State Ionics》. They have made some progress in their research.Electric Literature of C6H11ClN2 The article mentions the following:

Mol. dynamics (MD) simulations were applied to explore the ion transport in six ionic liquid/poly(vinylidene fluoride) (IL/PVDF) systems where the cation is 1-ethyl-3-methylimidazolium ([EMIM]) and the anions are [Cl], [Br] [BF₄], [PF₆], trifluoromethanesulfonate ([TfO]) and bis(trifluoromethanesulfonyl)imide ([NTf₂]) sep., and each system contains about 40 wt% IL. The glass transition temperature (T_g = 204 K) of [EMIM][NTf₂]/PVDF system is good agreement with the exptl. value (200 K). Transference number of ions, ideal conductivity and viscosity can be calculated based on diffusion coefficient The power law shows mobilities of anions and cations are seen to exhibit a “superionic” behavior when considering all the anions (cations) together. Overall, for the same IL/PVDF system, with the increase of temperature, both the ion-pair relaxation times and lifetimes decrease, while diffusion coefficients of ions increase, so ion motion is intensified. The transference numbers of anions and cations show upward and downward trends resp., indicating that the diffusion coefficients of cations decrease faster than that of the anions. The conductivity gradually increases, and the viscosity gradually decreases. For different IL/PVDF systems, the chem. properties of ion pairs are the main factors affecting ion-pair relaxation times and lifetimes, diffusion coefficients, the conductivity and viscosity at lower temperatures However, the influence gradually weakens as the temperature increases, and the IL/PVDF systems with a large Tg will have smaller the diffusion coefficients, conductivity, as well as higher viscosity at higher temperatures1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) were involved in the experimental procedure.

1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies; a solvent as well as catalyst for the depolymerization of oak wood lignin.Electric Literature of C6H11ClN2

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C13H11N3In 2016, Chhajed, Santosh S.;Upasani, Chandrashekhar D. published 《Synthesis and in-silico molecular docking simulation of 3-chloro-4-substituted-1-(2-(1H-benzimidazol-2-yl)phenyl))azetidin-2-ones as novel analgesic anti-inflammatory agent》. 《Arabian Journal of Chemistry》published the findings. The article contains the following contents:

Synthesis of novel 1-(2-(1H-benzimidazol-2-yl)phenyl)-3-chloro-4-arylazetidin-2-ones I (R = Ph, 4-HOC₆H₄, 2-ClC₆H₄, etc.) is reported. All these compounds were characterized by IR, mass, ¹H NMR and elemental anal. The newly synthesized compounds were screened for their analgesic and anti-inflammatory activities on acetic acid-induced writhing in mice and carrageenan induced paw edema in rats. The compound I (R = 2-O₂NC₆H₄) was found to have potent analgesic (46% at 20 mg/kg b.w) and anti-inflammatory (66.5% at 20 mg/kg b.w) activities when compared to standard drug Nimesulide (20 mg/kg b.w). To check binding modes and binding affinity, synthesized compounds were docked into the active sites of enzyme COX-II. Compounds I (R = Ph, 2-HOC₆H₄, 4-MeOC₆H₄) were found to have good affinity for COX-II. A good correlation was found between in-silico docking anal. and in biol. screening.2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) were involved in the experimental procedure.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Computed Properties of C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wang, Jing;Li, Qing;Li, Kuncai;Sun, Xu;Wang, Yizhuo;Zhuang, Tiantian;Yan, Junjie;Wang, Hong published 《Ultra-High Electrical Conductivity in Filler-Free Polymeric Hydrogels Toward Thermoelectrics and Electromagnetic Interference Shielding》. The research results were published in《Advanced Materials (Weinheim, Germany)》 in 2022.Application In Synthesis of 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride The article conveys some information:

Conducting hydrogels have attracted much attention for the emerging field of hydrogel bioelectronics, especially poly(3,4-ethylenedioxythiophene): poly(styrene sulfonate) (PEDOT:PSS) based hydrogels, because of their great biocompatibility and stability. However, the elec. conductivities of hydrogels are often lower than 1 S cm^-1 which are not suitable for digital circuits or applications in bioelectronics. Introducing conductive inorganic fillers into the hydrogels can improve their elec. conductivities. However, it may lead to compromises in compliance, biocompatibility, deformability, biodegradability, etc. Herein, a series of highly conductive ionic liquid (IL) doped PEDOT:PSS hydrogels without any conductive fillers is reported. These hydrogels exhibit high conductivities up to ≈305 S cm^-1, which is ≈8 times higher than the record of polymeric hydrogels without conductive fillers in literature. The high elec. conductivity results in enhanced areal thermoelec. output power for hydrogel-based thermoelec. devices, and high specific electromagnetic interference (EMI) shielding efficiency which is about an order in magnitude higher than that of state-of-the-art conductive hydrogels in literature. Furthermore, these stretchable (strain >30%) hydrogels exhibit fast self-healing, and shape/size-tunable properties, which are desirable for hydrogel bioelectronics and wearable organic devices. The results indicate that these highly conductive hydrogels are promising in applications such as sensing, thermoelecs., EMI shielding, etc. And 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) was used in the research process.

1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a solvent as well as catalyst for the depolymerization of oak wood lignin; a solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brønsted acid catalysts.Application In Synthesis of 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Name: 1-Ethyl-3-methyl-1H-imidazol-3-ium chlorideIn 2022, Hou, Qidong;Bai, Chuanyunlong;Bai, Xinyu;Qian, Hengli;Nie, Yifan;Xia, Tianliang;Lai, Ruite;Yu, Guanjie;Rehman, Mian Laiq Ur;Ju, Meiting published 《Roles of Ball Milling Pretreatment and Titanyl Sulfate in the Synthesis of 5-Hydroxymethylfurfural from Cellulose》. 《ACS Sustainable Chemistry & Engineering》published the findings. The article contains the following contents:

Production of 5-hydroxymethylfurfural (HMF) from cellulose has been expected for a long time, but most catalytic systems generally give low yield and selectivity due to the difficulty of balancing cellulose deconstruction with the uncontrollable degradation of the target product under harsh conditions. Here we show that the ball milling pretreatment could markedly facilitate the conversion of microcrystalline cellulose to HMF by titanyl sulfate (TiOSO₄). The ball milling pretreatment remarkably decreases the degree of crystallinity of microcrystalline cellulose with a reduction of mol. weight via disrupting the hydrogen bond and partially breaking the β-1,4-glycosidic bond. TiOSO₄ functions as both Lewis and Bronsted acid to catalyze the efficient conversion of cellulose with high HMF yield (45.4%), far exceeding that (14.1%) from untreated cellulose. The reaction pathway was revealed by liquid chromatograph-mass spectra anal. In addition, phosphorylated titanium dioxide also afforded a notable HMF yield (21.8%), showcasing the great potential of Ti-based heterogeneous catalyst.1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) were involved in the experimental procedure.

1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a solvent as well as catalyst for the depolymerization of oak wood lignin; a solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brønsted acid catalysts.Name: 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kanlayakan, Narissa;Kerdpol, Khanittha;Prommin, Chanatkran;Salaeh, Rusrina;Chansen, Warinthon;Sattayanon, Chanchai;Kungwan, Nawee published 《Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: theoretical insights》. The research results were published in《New Journal of Chemistry》 in 2017.Related Products of 5805-39-0 The article conveys some information:

The effect of proton donors, namely NH-type and OH-type, on the excited-state intramol. proton transfer (ESIPT) of hydrogen-bonding (H-bond) mols. was investigated using d. functional theory (DFT) and time-dependent DFT (TD-DFT) at the B3LYP level with the TZVP basis set. The important parameters for bond distances involved in the intramol. H-bond revealed that H-bonds of OH-type are stronger than those of NH-type and this was supported by the greater red-shift of O-H vibrational modes in the excited-state. The potential energy surfaces along the proton transfer (PT) reaction show that the ESIPT of O-H type occurs with a small barrier or barrierless in the excited-state whereas those of N-H type have higher PT barriers except for the one with a stronger proton acceptor, resulting in a smaller barrier. On-the-fly dynamic simulations on the first excited-state were further carried out to provide the important dynamic information on PT time and probability. The results of dynamic simulations are in accordance with the potential energy surfaces in which the N-H type shows no PT in APBT but slow PT in APBI and fast PT in HNHPIP, while the O-H type (HBI, HBT and HPIP) exhibits ultrafast PT within 80 fs. Moreover, the occurrence of the ESIPT process is strongly dependent on reaction energy and activation energy, in which the H-bond mols. with thermodynamically and kinetically favorable characters always provide the ESIPT. Therefore, the type of proton donor and proton acceptor of H-bond mols. is very important to hinder or effectively facilitate the ESIPT process. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Related Products of 5805-39-0) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Zhang, Yinhang;Fan, Yuan;Kamran, Urooj;Park, Soo-Jin published 《Improved thermal conductivity and mechanical property of mercapto group-activated boron nitride/elastomer composites for thermal management》. The research results were published in《Composites, Part A: Applied Science and Manufacturing》 in 2022.Computed Properties of C6H11ClN2 The article conveys some information:

Ionic liquid 1-Ethyl-3-methylimidazolium chloride was employed to promote the exfoliation of hexagonal boron nitride (BN) to fabricate the boron nitride nanosheets (BNNSs). The BNNSs were then surface activated by covalently attaching mercapto groups on their surfaces. The surface-activated BNNS nanoparticles (S@BNNSs) were incorporated in a carboxylated styrene-butadiene rubber matrix for preparing thermal management materials. The developed material was provided with superior mech. properties, satisfied thermal conductivity and strong storage modulus attributing to the two-dimensional structure of the filler and the enhanced interfacial interaction between the filler and matrix. The filler-filler and filler-matrix networks in the composite system were comprehensively analyzed. The thermal management applications were also demonstrated using an IR camera and a com. thermoelec. generator. All the performances demonstrated their potential use as thermal management materials in electronic devices. To complete the study, the researchers used 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) .

1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies; a solvent as well as catalyst for the depolymerization of oak wood lignin.Computed Properties of C6H11ClN2

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem