Month: October 2022

The author of 《Imidazole and 1-Methylimidazole Hydrogen Bonding and Nonhydrogen Bonding Liquid Dynamics: Ultrafast IR Experiments》 were Shin, Jae Yoon; Wang, Yong-Lei; Yamada, Steven A.; Hung, Samantha T.; Fayer, Michael D.. And the article was published in Journal of Physical Chemistry B in 2019. Electric Literature of C4H6N2 The author mentioned the following in the article:

The dynamics of imidazole (IM) and 1-methylimidazole (1-MeIM) in the liquid phase at 95 °C were studied by IR polarization selective pump-probe and two-dimensional IR (2D IR) spectroscopies. The two mols. are very similar structurally except that IM can be simultaneously a hydrogen bond donor and acceptor and therefore forms extended hydrogen-bonded networks. The broader IR absorption spectrum and a shorter vibrational lifetime of the vibrational probe, selenocyanate anion (SeCN-), in IM vs 1-MeIM indicate that stronger hydrogen bonding exists between SeCN- and IM. Mol. dynamics (MD) simulations support the strong hydrogen bond formation between SeCN- and IM via the HN moiety. SeCN- makes two H-bonds with IM; it is inserted in the IM H-bonded chains rather than being a chain terminator. The strong hydrogen bonding influenced the reorientation dynamics of SeCN- in IM, leading to a more restricted short time angular sampling (wobbling-in-a-cone). The complete orientational diffusion time in IM is 1.7 times slower than in 1-MeIM, but the slow down is less than expected, considering the 3-fold larger viscosity of IM. The jump reorientation mechanism accounts for the anomalously fast orientational relaxation in IM, and the MD simulations determined the average jump angle of the probe between hydrogen bonding sites. Spectral diffusion time constants obtained from the 2D IR experiments are only modestly slower in IM than in 1-MeIM in spite of the significant increase in viscosity. The results indicate that the spectral diffusion sensed by the SeCN- has IM hydrogen bond dynamics contributions not present in 1-MeIM. The experimental process involved the reaction of 1-Methyl-1H-imidazole(cas: 616-47-7Electric Literature of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Electric Literature of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《A study of plasma electrolytic oxidation coatings doped with 2-ainobenzimidazole loaded halloysite nanotubes on AZ31 magnesium alloy》 was written by Wu, Wen-Xin; Lin, Hsin-Chih. HPLC of Formula: 934-32-7 And the article was included in Purazuma Oyo to Fukugo Kino Zairyo in 2020. The article conveys some information:

Plasma electrolytic oxidation (PEO) coatings with actively protective functionality by incorporating 2-aminobenzimidazole (2-ABI) loaded halloysite nanotubes (HNTs) was presented. The coatings were characterized by SEM and EDX. Corrosion behavior was evaluated by EIS measurement. With the SEM and EDX anal., the existence of HNT or 2ABI-loaded HNT was confirmed. EIS complex spectra showed the enhanced corrosion resistance of 2-ABI-HNT PEO coating, suggesting 2-ABI has good potential as corrosion inhibitor for Mg alloys.1H-Benzo[d]imidazol-2-amine(cas: 934-32-7HPLC of Formula: 934-32-7) was used in this study.

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.HPLC of Formula: 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Improved Coverage of Mouse Myelomeningocele With a Mussel Inspired Reverse Thermal Gel》 was written by Bardill, James R.; Park, Daewon; Marwan, Ahmed I.. Safety of Di(1H-imidazol-1-yl)methanone And the article was included in Journal of Surgical Research in 2020. The article conveys some information:

Myelomeningocele (MMC) is an open neural tube defect of the spinal column. Our laboratory previously introduced a reverse thermal gel (RTG) as the first in situ forming patch for in utero MMC application. To overcome the challenges of anchoring the RTG in the wet amniotic environment to improve MMC coverage, we modified the RTG to mimic the underwater adhesive properties of mussels. We have separated this study into three sep. hypotheses-based components:Based on mussel inspired chem., modification of the RTG with dopamine will increase the underwater adhesive properties to improve RTG anchoring ability in a wet environment. Methods: The dopamine-modified RTG (DRTG) was synthesized using carbonyldiimidazole chem. and characterized with proton NMR, Fourier transform IR spectroscopy, and UV-visible spectroscopy. Rheol. and underwater adhesive tests measured mech. properties. Results: DRTG synthesis was confirmed with proton NMR, Fourier transform IR spectroscopy, and UV-visible spectroscopy. Rheol. demonstrated increased elasticity. Underwater adhesion testing revealed DRTG has similar wet adhesive strength to Tisseel fibrin sealant.The DRTG will support in vitro skin cell growth and will be safe for injection in a mouse animal model. Methods: Biocompatibility testing included 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay, DRTG-fibroblast and keratinocyte cultures, and s.c. injections to quantify macrophages stained with immunohistochem. Results: 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide and DRTG cell cultures revealed no cytotoxicity and demonstrated the growth of fibroblasts and keratinocytes. S.c. injections cause a macrophage response that decreases after 4 wk.In utero injection of novel DRTG into a mouse MMC model will be effective with improved patch coverage of the MMC defect. Methods: MMC coverage by DRTG was assessed using in utero mouse injections in the Grainy head-like 3 (Grhl3) mouse model. Results: In utero Grhl3 mouse injections demonstrate statistically significant (P = 0.012) improved MMC coverage of DRTG compared with previous RTG coverage with no significant macrophage response.The DRTG demonstrates increased elasticity, cellular scaffolding properties, and improved MMC coverage in the Grhl3 mouse model. Future studies will be translated to the preclin. ovine model to evaluate this novel gel. In addition to this study using Di(1H-imidazol-1-yl)methanone, there are many other studies that have used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Safety of Di(1H-imidazol-1-yl)methanone) was used in this study.

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. It also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.Safety of Di(1H-imidazol-1-yl)methanone

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《The biotin biosynthetic pathway in Mycobacterium tuberculosis is avalidated target for the development of antibacterial agents》 was written by Bockman, Matthew R.; Mishra, Neeraj; Aldrich, Courtney C.. Product Details of 58-85-5 And the article was included in Current Medicinal Chemistry in 2020. The article conveys some information:

Mycobacterium tuberculosis, responsible for Tuberculosis (TB), remains the leading cause of mortality among infectious diseases worldwide from a single infectious agent, with an estimated 1.7 million deaths in 2016. Biotin is an essential cofactor in M. tuberculosis that is required for lipid biosynthesis and gluconeogenesis. M. tuberculosis relies on de novo biotin biosynthesis to obtain this vital cofactor since it cannot scavenge sufficient biotin from a mammalian host. The biotin biosynthetic pathway in M. tuberculosis has been well studied and rigorously genetically validated providing a solid foundation for medicinal chem. efforts. This review examines the mechanism and structure of the enzymes involved in biotin biosynthesis and ligation, summarizes the reported genetic validation studies of the pathway, and then analyzes the most promising inhibitors and natural products obtained from structure-based drug design and phenotypic screening. The results came from multiple reactions, including the reaction of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Product Details of 58-85-5)

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.Product Details of 58-85-5 And it has been used for blocking endogenous biotin during immunohistology procedures.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Ru-Pd Thermoresponsive Nanocatalyst Based on a Poly(ionic liquid) for Highly Efficient and Selectively Catalyzed Suzuki Coupling and Asymmetric Transfer Hydrogenation in the Aqueous Phase》 was written by Li, Xinjuan; Sun, Yanping; Wang, Shangyue; Jia, Xianbin. Computed Properties of C4H6N2 And the article was included in ACS Applied Materials & Interfaces in 2020. The article conveys some information:

The development of intelligent polymeric materials to precisely control the catalytic sites of heterogeneous catalysts and enable highly efficient catalysis of a cascade reaction is of great significance. The use of a polymer ionic liquid (PIL) containing 2 different anions facilitates the preparation of Ru-Pd catalysts with controllable phase transition temperatures and hydrophilic and hydrophobic surfaces. The combined multifunctionality, synergistic effects, micellar effects, aggregation effects, and temperature responsiveness of the nanocatalyst render it suitable for promoting selectively catalyzed Suzuki coupling and asym. transfer hydrogenation in H2O. Above the lower critical solution temperature (LCST) of the catalyst, it catalyzes only the coupling reaction with a high turnover number (TON) of ≤999.0. Below the LCST, the catalyst catalyzes only the asym. transfer hydrogenation with good catalytic activity and enantioselectivity. It is important that the catalyst can be simply and effectively recovered and recycled ≥10 times without significant loss of catalytic activity and enantioselectivity. This study also highlights the superiority of multifunctional heterogeneous catalysts based on PILs, which not only overcome limitations associated with low activity of heterogeneous catalysts but also realize selective reactions according to a temperature change, thereby improving the reactivity and enantioselectivity in multiple organic transformations. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazole(cas: 616-47-7Computed Properties of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Computed Properties of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Li, Wei-Ze; Wang, Zhong-Xia published their research in Organic & Biomolecular Chemistry in 2021. The article was titled 《Nickel-catalyzed coupling of R2P(O)Me (R = aryl or alkoxy) with (hetero)arylmethyl alcohols》.Application of 141556-45-8 The article contains the following contents:

α-Alkylation of methyldiarylphosphine oxides with (hetero)arylmethyl alcs. was performed under nickel catalysis. Various arylmethyl and heteroarylmethyl alcs. can be used in this transformation. A series of methyldiarylphosphine oxides were alkylated with 30-90% yields. Functional groups on the aromatic rings of methyldiarylphosphine oxides or arylmethyl alcs. including OMe, NMe2, SMe, CF3, Cl, and F groups can be tolerated. The conditions are also suitable for the α-alkylation reaction of dialkyl methylphosphonates. After reading the article, we found that the author used 1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8Application of 141556-45-8)

1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8) is a ligand for arylation of aldehydes and for carbene catalyzed intermolecular arylation of C-H bonds. It is used as a phosphine-free ligand in various metal-catalyzed coupling reactions, often with advantageous results in difficult cases.Application of 141556-45-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Prasoona, Gumpula; Kishore, Baireddy; Brahmeshwari, Gavaji published their research in Letters in Organic Chemistry in 2021. The article was titled 《Synthesis and Antimicrobial Evaluation of Benzimidazolyl Pyrimido[4,5-b]Quinolinones》.HPLC of Formula: 934-32-7 The article contains the following contents:

The reaction of 2-amino benzimidazoles with Et cyanoacetate afforded N-(1H-benzo[d]imidazol-2-yl)-2-cyanoacetamides I (R = H, Cl, NO2, Me, etc.). Compounds I on Knoevenagel condensation with o-nitro benzaldehydes produced (E)-N-(1H-benzo[d]imidazol-2-yl)-2-cyano-3-(2-nitrophenol) acylamides II (R1 = H, Cl, OMe). Compounds II were converted to 2-amino-N-(1H-benzo[d]imidazol-2-yl) quinoline-3-carboxamides III on treatment with stannous chloride by reductive cyclization. The target compounds viz., 3-(1H-benzo[d]imidazol-2-yl)-2-methylpyrimido[4,5-b]quinolin-4(3H)-ones IV were obtained by N-acetylation followed by cyclodehydration of compounds III in situ by treatment with acetic anhydride. 3-(1H-Benzo[d]imidazol-2-yl)-2-methylpyrimido[4,5-b]quinolin-4(3H)-ones IV have been synthesized from com. available materials in excellent yields. The title compounds IV are evaluated for in vitro antimicrobial activity. Compounds IV (R = Me; R1 = H), IV (R = OMe; R1 = H) and IV (R = H; R1 = OMe) have shown more antimicrobial activity than that of standard drugs. The structures of all the newly synthesized compounds I, II, III & IV are confirmed on the basis of spectral data. Antimicrobial studies of compounds IV have revealed that compounds IV (R = Me; R1 = H) and IV (R = OMe; R1 = H) have more efficient activity when compared to the standard drugs. In the experimental materials used by the author, we found 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7HPLC of Formula: 934-32-7)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.HPLC of Formula: 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Pandey, Himanshu; Shrivastava, S. P. published their research in Oriental Journal of Chemistry in 2021. The article was titled 《One pot synthesis, characterization of benzothiazole/benzimidazole tethered imidazole derivatives using clay as catalyst》.Formula: C7H7N3 The article contains the following contents:

A green approach for benzothiazole/benzimidazole tethered imidazole derivative synthesis utilizing brick derived clay as a catalyst were reported. Brick clay catalyst used in this synthesis were shown excellent catalytic activity by increasing efficiency, reducing the reaction time and most importantly it was reusable for further reaction runs. These derivatives were synthesized by multi component condensation reaction that involved benzil, aldehyde, 2-aminobenzimidazole/2-amino-6-nitrobenzothiazole and ammonium acetate. The clay catalyst was characterized by FT-IR while the synthesized derivatives were characterized by FT-IR, 1H NMR and 13C NMR. Brick clay was a cheap, non-hazardous catalyst and were reused up to many reaction runs with good to excellent yields. In the experimental materials used by the author, we found 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Formula: C7H7N3)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Formula: C7H7N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

SDS of cas: 174501-65-6In 2021 ,《Mobility gradients yield rubbery surfaces on top of polymer glasses》 appeared in Nature (London, United Kingdom). The author of the article were Hao, Zhiwei; Ghanekarade, Asieh; Zhu, Ningtao; Randazzo, Katelyn; Kawaguchi, Daisuke; Tanaka, Keiji; Wang, Xinping; Simmons, David S.; Priestley, Rodney D.; Zuo, Biao. The article conveys some information:

Abstract: Many emerging materials, such as ultrastable glasses1,2 of interest for phone displays and OLED television screens, owe their properties to a gradient of enhanced mobility at the surface of glass-forming liquids The discovery of this surface mobility enhancement3-5 has reshaped our understanding of the behavior of glass formers and of how to fashion them into improved materials. In polymeric glasses, these interfacial modifications are complicated by the existence of a second length scale-the size of the polymer chain-as well as the length scale of the interfacial mobility gradient6-9. Here we present simulations, theory and time-resolved surface nano-creep experiments to reveal that this two-scale nature of glassy polymer surfaces drives the emergence of a transient rubbery, entangled-like surface behavior even in polymers comprised of short, subentangled chains. We find that this effect emerges from superposed gradients in segmental dynamics and chain conformational statistics. The lifetime of this rubbery behavior, which will have broad implications in constraining surface relaxations central to applications including tribol., adhesion, and surface healing of polymeric glasses, extends as the material is cooled. The surface layers suffer a general breakdown in time-temperature superposition (TTS), a fundamental tenet of polymer physics and rheol. This finding may require a reevaluation of strategies for the prediction of long-time properties in polymeric glasses with high interfacial areas. We expect that this interfacial transient elastomer effect and TTS breakdown should normally occur in macromol. systems ranging from nanocomposites to thin films, where interfaces dominate material properties5,10. The experimental process involved the reaction of 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6SDS of cas: 174501-65-6)

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. SDS of cas: 174501-65-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 16681-56-4In 2008 ,《Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing》 appeared in Journal of Molecular Biology. The author of the article were Graves, Alan P.; Shivakumar, Devleena M.; Boyce, Sarah E.; Jacobson, Matthew P.; Case, David A.; Shoichet, Brian K.. The article conveys some information:

Mol. docking computationally screens thousands to millions of organic mols. against protein structures, looking for those with complementary fits. Many approximations are made, often resulting in low “”hit rates.””. A strategy to overcome these approximations is to rescore top-ranked docked mols. using a better but slower method. One such is afforded by mol. mechanics-generalized Born surface area (MM-GBSA) techniques. These more phys. realistic methods have improved models for solvation and electrostatic interactions and conformational change compared to most docking programs. To investigate MM-GBSA rescoring, the authors reranked docking hit lists in three small buried sites: a hydrophobic cavity that binds apolar ligands, a slightly polar cavity that binds aryl and hydrogen-bonding ligands, and an anionic cavity that binds cationic ligands. These sites are simple; consequently, incorrect predictions can be attributed to particular errors in the method, and many likely ligands may actually be tested. In retrospective calculations, MM-GBSA techniques with binding-site minimization better distinguished the known ligands for each cavity from the known decoys compared to the docking calculation alone. This encouraged us to test rescoring prospectively on mols. that ranked poorly by docking but that ranked well when rescored by MM-GBSA. A total of 33 mols. highly ranked by MM-GBSA for the three cavities were tested exptl. Of these, 23 were observed to bind-these are docking false negatives rescued by rescoring. The 10 remaining mols. are true negatives by docking and false positives by MM-GBSA. X-ray crystal structures were determined for 21 of these 23 mols. In many cases, the geometry prediction by MM-GBSA improved the initial docking pose and more closely resembled the crystallog. result; yet in several cases, the rescored geometry failed to capture large conformational changes in the protein. Intriguingly, rescoring not only rescued docking false positives, but also introduced several new false positives into the top-ranking mols. The authors consider the origins of the successes and failures in MM-GBSA rescoring in these model cavity sites and the prospects for rescoring in biol. relevant targets. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem