Month: October 2022

Prasanthkumar, Kavanal P.; Rayaroth, Manoj P.; Alvarez-Idaboy, Juan R. published the artcile< Insights into the Mechanism of Hydroxyl Radical Mediated Oxidations of 2-Aminopurine: A Computational and Sonochemical Product Analysis Study>, Category: imidazoles-derivatives, the main research area is aminopurine hydroxyl radical mediated oxidation sonochem.

Mechanistic details of hydroxyl radical (•OH) mediated oxidations of 2-aminopurine (2AP) in the aqueous phase have been established in this study via a combination of DFT calculations (at the M05-2X/6-311+G(d,p) level with SMD solvation) and sonochem. end product analyses by the LC-Q-TOF-MS/MS method. Rate constants and branching ratios for single electron transfer (SET), two H-abstractions (HA), and seven radical adduct formation (RAF) reactions of •OH with 2AP were evaluated using transition state theory (TST). The RAF at the C8-position of 2AP is noted as the dominant process, which constitutes almost 46.1% of overall reaction routes. The SET mechanism accounts for the second major pathway (39.6%) followed by RAF at the C6-position (14.3%). Formations of 14 transformation products (TPs, i.e., the nonradical end products) in the sonochem. reactions of •OH with 2AP have been identified by means of the LC-Q-TOF-MS/MS technique. Among the 14 TPs (designated as TP1 to TP14), the lowest and highest mass to charge ratio (m/z) were resp. observed at 129 and 269 in ESI-MS pos. ionization mode. The identities of all TPs have been proposed on the basis of elemental composition of [M + H]+ ions and their resp. MS-MS fragmentation pattern. Four TPs (including guanine) are considered as obtained directly from primary transients by radical elimination, radical-radical combination/disproportionation reactions. The remaining 10 TPs are postulated as a result of successive self- and/or cross-reactions of primary transients/four first generation TPs with reagents such as •OH, O2, and solvent H2O mols.

Journal of Physical Chemistry B published new progress about Collision-induced dissociation. 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yang, Zhouping; Liu, Yaqing; Liu, Yang; Wang, Yanying; Rao, Hanbing; Liu, Yong; Yin, Jiajian; Yue, Guizhou; Wu, Caimei; Li, Hua; Liu, Xiaopeng; Wang, Xianxiang published the artcile< Preparation of porous uranium oxide hollow nanospheres with peroxidase mimicking activity: application to the colorimetric determination of tin(II)>, Product Details of C6H9ClN2O2, the main research area is uranium oxide nanosphere peroxidase ionic liquid tin colorimetry detection; Ionic liquids; Nuclear materials; Peroxidase mimic; Uranium oxide.

Porous uranium oxide hollow sphere nanoparticles were synthesized in ionic liquids under hydrothermal conditions. Various precipitating agents and ionic liquids were investigated to determine their resp. impact on the resultant uranium oxide morphologies. Using hydrazine hydrate as precipitating agent and N-Bu pyridinium bromide as templating agent, a porous-hollow structure was created with a surface area of 1958 m2.g-1 and an average pore diameter of 30 nm. The nanoparticles revealed high peroxidase-mimicking activity. This was evaluated by using the peroxidase substrate 3,3′,5,5′-tetramethylbenzidine (TMB) that is catalytically oxidized by H2O2 to give oxidized TMB (oxTMB) which is blue (with an absorption peak at 652 nm). The material was used as a nanozyme for colorimetric detection of Sn2+. Meanwhile, it is found that BSA strongly improves the catalytic activity of the nanozyme, while Sn(II) inhibits its activity. Thus, a colorimetric method for Sn2+ detection was designed. The method works in the 0.5-100μM Sn(II) concentration range and has a lower detection limit of 0.36μM (at S/N = 3).

Microchimica Acta published new progress about Binding energy. 700370-07-6 belongs to class imidazoles-derivatives, and the molecular formula is C6H9ClN2O2, Product Details of C6H9ClN2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Xu, Guozhang; Liu, Zhijie; Wang, Xinkang; Lu, Tianbao; DesJarlais, Renee L.; Thieu, Tho; Zhang, Jing; Devine, Zheng Huang; Du, Fuyong; Li, Qiu; Milligan, Cynthia M.; Shaffer, Paul; Cedervall, Peder E.; Spurlino, John C.; Stratton, Christopher F.; Pietrak, Beth; Szewczuk, Lawrence M.; Wong, Victoria; Steele, Ruth A.; Bruinzeel, Wouter; Chintala, Madhu; Silva, Jose; Gaul, Michael D.; Macielag, Mark J.; Nargund, Ravi published the artcile< Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions>, Formula: C4H5BrN2, the main research area is cyclopropylpyrazolyl pyridine oxide preparation anticoagulation docking SAR.

Herein, activated factor XI (FXIa) inhibitors novel anticoagulants, discovery effort, utilizing nonclassical interactions to improve potency, cellular permeability, and oral bioavailability by enhancing the binding while reducing polar atoms was described. Beginning with literature-inspired pyridine N-oxide-based FXIa inhibitor 1, the imidazole linker was first replaced with a pyrazole moiety to establish a polar C-H···water hydrogen-bonding interaction. Then, structure-based drug design was employed to modify lead mol. I in the P1′ and P2′ regions, with substituents interacting with key residues through various nonclassical interactions. As a result, a potent FXIa inhibitor II (Ki = 0.17 nM) was discovered. This compound demonstrated oral bioavailability in preclin. species (rat 36.4%, dog 80.5%, and monkey 43.0%) and displayed a dose-dependent antithrombotic effect in a rabbit arteriovenous shunt model of thrombosis.

Journal of Medicinal Chemistry published new progress about Anticoagulants, oral. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Formula: C4H5BrN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Li, Peng; Herrmann, Wolfgang A.; Kuehn, Fritz E. published the artcile< Unsaturated NHC Complexes Immobilized by the Backbone: Synthesis and Application>, Application In Synthesis of 1003-21-0, the main research area is silica rhodium heterocyclic carbene complex catalyst styrene hydrogenation ethylbenzene.

The synthesis and an exemplary catalytic application of a SBA-15-supported rhodium-N-heterocyclic carbene (NHC) complex is reported. In contrast to the conventional method of immobilization of unsaturated NHC complexes, the rhodium-NHC compound described here is connected to the SBA-15 surface by a linker originating from the backbone of the unsaturated NHC ligand. The unique characteristics of the new immobilization mode enable the supported NHC complexes to maintain two unchanged “”wing-tip”” ligands. This method of immobilization of unsaturated NHC complexes provides a new way to maintain the original configuration of homogeneous NHC complexes in the heterogenized catalytic system. The immobilized rhodium-NHC catalyst is used in a hydrogenation reaction with styrene as substrate.

ChemCatChem published new progress about Catalyst supports. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Application In Synthesis of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kauffmann, Thomas; Nuernberg, Reinhard; Schulz, Jutta; Stabba, R. published the artcile< Hetarynes. X. Detection of a 5-membered ring aryne (1-methyl-4,5-dehydroimidazole)>, Application In Synthesis of 1003-21-0, the main research area is IMIDAZOLES ARYNE; DEHYDROIMIDAZOLES; ARYNE IMIDAZOLES.

Treating 5-chloro-1-methylimidazole (I) and 5-bromol-1-methylimidazole (II) with Li piperidide/piperidine (III) in boiling ether gave a mixture of 4-piperidino-1-methylimidazole (IV) and 5-piperidino-1-methylimidazole (V). Analogous results using Li pyrrolidide (VI)/pyrrolidine (VII) base pair suggested that IV and V were formed through an elimination-addition mechanism on the title compound (VIII). The mechanism was elucidated by competing reactions of I and II with varying ratios of VII-III base pairs which resulted in IV, V, 5-pyrrolidinyl-1-methylimidazole, and 4-pyrrolidinyl-1-methylimidazole (IX). Anal. of product distribution indicated that the rearranged substitution products IV and IX were prepared through the elimination-addition mechanism, whereas the non-rearranged substitution products resulted from an overlap of the elimination-addition and the normal addition-elimination mechanism, in each case confirming the presence of VIII. Study on competitive reaction of 3-chloropyridine and 4-chloropyridine with the base-pair diethylamine/diisopropylamine confirmed the conclusion that all reactions with II follow the elimination-addition mechanism over the poorly selective intermediate VIII. With chloro compounds such as I, the normal addition-elimination mechanism becomes more important.

Tetrahedron Letters published new progress about 1003-21-0. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Application In Synthesis of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

He, Yanhua; Yu, Youwei; Wen, Xiaoye; Shi, Yan; Wu, Jianhu; Guan, Zhengping; Cui, Meilin; Xiao, Chunling published the artcile< A quencher-free 2-aminopurine modified hairpin aptasensor for ultrasensitive detection of Ochratoxin A>, Recommanded Product: 7H-Purin-2-amine, the main research area is aminopurine hairpin aptasensor Ochratoxin A fluorescence quenching; 2-Aminopurine; Aptasensor; Exonuclease I; Ochratoxin A; Quencher-free.

A sensitive, efficient and quencher-free fluorescence aptasensor to detect Ochratoxin A (OTA) based on aptamer, 2-aminopurine (2AP) labeled Oligonucleotide sequence, as well as exonuclease I (Exo I) activity was developed. In which the aptamer specific to OTA was modified into a hairpin structure, and 8 bases at the 3′ ends are exposed (H); also, 2AP is embedded in the oligonucleotide complementary to the 8 bases (2AP-probe). The detection principle based on 2AP-probe could be bonded to its complementary sequence and quenches the fluorescence of 2AP; The aptamer has a stronger affinity for the target than its complementary sequence; Exo I can dissociate single-stranded DNA and has little effect on double-stranded DNA as well as folded DNA. In the absence of OTA, the fluorescence of 2AP is quenched due to the complementary pairing of H and 2AP-probe; in the presence of OTA, H selective binding target is detached from 2AP-probe, and the fluorescence of 2AP is slightly restored. Moreover, when the Exo I is added to the detection system, 2AP-probe is dissociated by the Exo I to release the free 2AP, and the fluorescence of the system is further enhanced thereby realizing the detection of OTA. The detection limit of the aptasensor was low as 0.03 nM with a linear range of 0.5-100 nM. Moreover, the aptasensor has good selectivity and practicability and also has good potential in realizing the detection of toxic and harmful substances in food complex matrixes.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Aptasensors. 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Recommanded Product: 7H-Purin-2-amine.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ghosh, Tonmoy; Mondal, Aniruddha; Vamsi Bharadwaj, S. V.; Mishra, Sandhya published the artcile< A naturally fluorescent protein C-phycoerythrin and graphene oxide bio-composite as a selective fluorescence ""turn off/on"" probe for DNA quantification and characterization>, Recommanded Product: 7H-Purin-2-amine, the main research area is C phycoerythrin graphene oxide DNA quantification fluorescence characterization; C-phycoerythrin; DNA sensing; Fluorescence quenching; Graphene oxide; Protein – graphene oxide interaction.

Highly specific graphene-DNA interactions have been at the forefront of graphene-based sensor design for various analytes, including DNA itself. However, in addition to its detection, DNA also needs to be characterized according to its size and concentration in a sample, which is an addnl. anal. step. Designing a highly sensitive and selective DNA sensing and characterization platform is, thus, of great interest. The present study demonstrates that a bio-derived, naturally fluorescent protein C-phycoerythrin (CPE) – graphene oxide (GO) bio-composite can be used to detect dsDNA in nanomolar quantities efficiently via fluorescent “”turn off/on”” mechanism. Interaction with GO temporarily quenches CPE fluorescence in a dose-dependent manner. Anal. characterization indicates an indirect charge transfer with a corresponding loss of crystalline GO structure. The fluorescence is regained with the addition of DNA, while other biomols. do not pose any hinderance in the detection process. The extent of regain is DNA length dependent, and the corresponding calibration curve successfully quantifies the size of an unknown DNA. The incubation time for detection is ∼3-5 min. The bio-composite platform also works successfully in a complex biomol. matrix and cell lysate. However, the presence of serum albumin poses a hinderance in the serum sample. Particle size anal. proves that CPE displacement from GO surface by the incoming DNA is the reason for the “”turn on”” response, and that the sensing process is exclusive to dsDNA. This new platform could be an exciting and rapid DNA sensing and characterization tool.

International Journal of Biological Macromolecules published new progress about Albumins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Recommanded Product: 7H-Purin-2-amine.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Pagano, Bruno; Iaccarino, Nunzia; Di Porzio, Anna; Randazzo, Antonio; Amato, Jussara published the artcile< Screening of DNA G-quadruplex stabilizing ligands by nano differential scanning fluorimetry>, Application In Synthesis of 452-06-2, the main research area is DNA G quadruplex stabilizing ligand nano differential scanning fluorimetry.

G-quadruplex (G4) nucleic acid structures are involved in a number of different diseases and their drug-induced stabilization is deemed to be a promising therapeutic approach. Herein is reported a proof of principle study on the use of nano differential scanning fluorimetry for a rapid and accurate anal. of G4-stabilizing ligands, exploiting the fluorescence properties of a 2-aminopurine modified G4-forming oligonucleotide.

Analyst (Cambridge, United Kingdom) published new progress about DNA Role: ANT (Analyte), BSU (Biological Study, Unclassified), ANST (Analytical Study), BIOL (Biological Study). 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Application In Synthesis of 452-06-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Batista, Ines A.; Melo, Sonia A. published the artcile< Exosomes and the future of immunotherapy in pancreatic cancer>, Recommanded Product: p-Benzenediacrylanilide, 4′,4′′-di-2-imidazolin-2-yl-, dihydrochloride, the main research area is review exosome immunotherapy pancreatic ductal adenocarcinoma; exosomes; immunotherapy; pancreatic cancer.

A review. Pancreatic ductal adenocarcinoma (PDAC) is a devastating disease, associated with a late diagnosis and a five-year survival rate of 8%. Currently available treatments fall short in improving the survival and quality of life of PDAC patients. The only possible curative option is still the surgical resection of the tumor. Exosomes are extracellular vesicles secreted by cells that transport proteins, lipids, and nucleic acids to other cells, triggering phenotypic changes in the recipient cells. Tumor cells often secrete increased amounts of exosomes. Tumor exosomes are now accepted as important players in the remodeling of PDAC tumor stroma, particularly in the establishment of an immunosuppressive microenvironment. This has sparked the interest in their usefulness as mediators of immunomodulatory effects for the treatment of PDAC. In fact, exosomes are now under study to understand their potential as nanocarriers to stimulate an immune response against cancer. This review highlights the latest findings regarding the function of exosomes in tumor-driven immunomodulation, and the challenges and advantages associated with the use of these vesicles to potentiate immunotherapy in PDAC.

International Journal of Molecular Sciences published new progress about Drug bioavailability. 6823-69-4 belongs to class imidazoles-derivatives, and the molecular formula is C30H30Cl2N6O2, Recommanded Product: p-Benzenediacrylanilide, 4′,4′′-di-2-imidazolin-2-yl-, dihydrochloride.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Lin, Yi-Wei; Nhieu, Jennifer; Wei, Chin-Wen; Lin, Yu-Lung; Kagechika, Hiroyuki; Wei, Li-Na published the artcile< Regulation of exosome secretion by cellular retinoic acid binding protein 1 contributes to systemic anti-inflammation>, Electric Literature of 6823-69-4, the main research area is exosome secretion Crabp1 antiinflammation; Crabp1; Exosome; Inflammation; Macrophage; Neuron; RIP140; Retinoic acid.

Intercellular communications are important for maintaining normal physiol. processes. An important intercellular communication is mediated by the exchange of membrane-enclosed extracellular vesicles. Among various vesicles, exosomes can be detected in a wide variety of biol. systems, but the regulation and biol. implication of exosome secretion/uptake remains largely unclear. Cellular retinoic acid (RA) binding protein 1 (Crabp1) knockout (CKO) mice were used for in vivo studies. Extracellular exosomes were monitored in CKO mice and relevant cell cultures including embryonic stem cell (CJ7), macrophage (Raw 264.7) and hippocampal cell (HT22) using Western blot and flow cytometry. Receptor Interacting Protein 140 (RIP140) was depleted by Crispr/Cas9-mediated gene editing. Anti-inflammatory maker was analyzed using qRT-PCR. Clin. relevance was accessed by mining multiple clin. datasets. This study uncovers Crabp1 as a neg. regulator of exosome secretion from neurons. Specifically, RIP140, a pro-inflammatory regulator, can be transferred from neurons, via Crabp1-regulated exosome secretion, into macrophages to promote their inflammatory polarization. Consistently, CKO mice, defected in the neg. control of exosome secretion, have significantly elevated RIP140-containing exosomes in their blood and cerebrospinal fluid, and exhibit an increased vulnerability to systemic inflammation. Clin. relevance of this pathway is supported by patients data of multiple inflammatory diseases. Further, the action of Crabp1 in regulating exosome secretion involves its ligand and is mediated by its downstream target, the MAPK signaling pathway. Conclusions: This study presents the first evidence for the regulation of exosome secretion, which mediates intercellular communication, by RA-Crabp1 signaling. This novel mechanism can contribute to the control of systemic inflammation by transferring an inflammatory regulator, RIP140, between cells. This represents a new mechanism of vitamin A action that can modulate the homeostasis of system-wide innate immunity without involving gene regulation.

Cell Communication and Signaling published new progress about Animal cell (HT22). 6823-69-4 belongs to class imidazoles-derivatives, and the molecular formula is C30H30Cl2N6O2, Electric Literature of 6823-69-4.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem