Tag: M.W=300-350

Sager, LeeAnn M. published the artcileBeginnings of exciton condensation in coronene analog of graphene double layer, COA of Formula: C24H12, the publication is Journal of Chemical Physics (2022), 156(15), 154702, database is CAplus and MEDLINE.

Exciton condensation, a Bose-Einstein condensation of excitons into a single quantum state, has recently been achieved in low-dimensional materials including twin layers of graphene and van der Waals heterostructures. Here, we computationally examine the beginnings of exciton condensation in a double layer composed of coronene, a seven-benzene-ring patch of graphene. As a function of interlayer separation, we compute the exciton population in a single coherent quantum state, showing that the population peaks around 1.8 at distances near 2 ?. Visualization reveals interlayer excitons at the separation distance of the condensate. We determine the exciton population as a function of the twist angle between two coronene layers to reveal the magic angles at which the condensation peaks. As with previous recent calculations showing some exciton condensation in hexacene double layers and benzene stacks, the present two-electron reduced-d.-matrix calculations with coronene provide computational evidence for the ability to realize exciton condensation in mol.-scale analogs of extended systems such as the graphene double layer. (c) 2022 American Institute of Physics.

Journal of Chemical Physics published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, COA of Formula: C24H12.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Rhead, W. J. published the artcileSelenium catalyzed reduction of methylene blue by thiols, COA of Formula: C18H15N3O3, the publication is Bioinorganic Chemistry (1974), 3(3), 225-42, database is CAplus and MEDLINE.

The reduction of methylene blue [61-73-4], of other reducible dyes, as well as of riboflavine [83-88-5], hemin [16009-13-5], and of vitamin B12a [13422-51-0] by thiols was catalyzed by ¦ÌM amounts of Se. The reduction of methylene blue was investigated in greater detail and exhibited a complicated dependence on the pH and the thiol concentration Alkylating agents, CN-, as well as Cd+2 or Hg+2 were inhibitory, whereas Cu2+ or Ag+ had stimulatory effects. Dithiols were more effective reducing agents than monothiols. The catalytic effects of Se in these reactions may parallel some of the functions of Se in vivo.

Bioinorganic Chemistry published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, COA of Formula: C18H15N3O3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lai, Thu Hang published the artcileDevelopment of ¹⁸F-labeled radiotracers for PET imaging of the adenosine A₂A receptor: synthesis, radiolabeling and preliminary biological evaluation, COA of Formula: C17H37NO3, the publication is International Journal of Molecular Sciences (2021), 22(5), 2285, database is CAplus and MEDLINE.

The adenosine A2A receptor (A2AR) represents a potential therapeutic target for neurodegenerative diseases. Aiming at the development of a positron emission tomog. (PET) radiotracer to monitor changes of receptor d. and/or occupancy during the A2AR-tailored therapy, authors designed a library of fluorinated analogs based on a recently published lead compound (PPY). Among those, the highly affine 4-fluorobenzyl derivate (K_i(hA_2AR) = 5.3 nM) and the 2-fluorobenzyl derivate (K_i(hA_2AR) = 2.1 nM) were chosen for ¹⁸F-labeling via an alc. enhanced copper-mediated procedure starting from the corresponding boronic acid pinacol ester precursors. Investigations of the metabolic stability of compound I (R = p-¹⁸F, o-¹⁸F) in CD-1 mice by radio-HPLC anal. revealed parent fractions of more than 76% of total activity in the brain. Specific binding of I (R = o-¹⁸F)on mice brain slices was demonstrated by in vitro autoradiog. In vivo PET/magnetic resonance imaging (MRI) studies in CD-1 mice revealed a reasonable high initial brain uptake for both radiotracers, followed by a fast clearance.

International Journal of Molecular Sciences published new progress about 17351-62-1. 17351-62-1 belongs to catalysis-chemistry, auxiliary class Salt,Amine, name is Tetrabutylammonium hydrogencarbonate, and the molecular formula is C17H37NO3, COA of Formula: C17H37NO3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Garrigou, Michael published the artcileAccelerated Identification of Cell Active KRAS Inhibitory Macrocyclic Peptides using Mixture Libraries and Automated Ligand Identification System (ALIS) Technology, Safety of Fmoc-Pro-OH, the publication is Journal of Medicinal Chemistry (2022), 65(13), 8961-8974, database is CAplus and MEDLINE.

Macrocyclic peptides can disrupt previously intractable protein-protein interactions (PPIs) relevant to oncol. targets such as KRAS. Early hits often lack cellular activity and require meticulous improvement of affinity, permeability, and metabolic stability to become viable leads. We have validated the use of the Automated Ligand Identification System (ALIS) to screen oncogenic KRAS^G12D (GDP) against mass-encoded mini-libraries of macrocyclic peptides and accelerate our structure-activity relationship (SAR) exploration. These mixture libraries were generated by premixing various unnatural amino acids without the need for the laborious purification of individual peptides. The affinity ranking of the peptide sequences provided SAR-rich data sets that led to the selection of novel potency-enhancing substitutions in our subsequent designs. Addnl. stability and permeability optimization resulted in the identification of peptide 7 (I) that inhibited pERK activity in a pancreatic cancer cell line. More broadly, this methodol. offers an efficient alternative to accelerate the fastidious hit-to-lead optimization of PPI peptide inhibitors.

Journal of Medicinal Chemistry published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, Safety of Fmoc-Pro-OH.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Verdoliva, Valentina published the artcileZeolites employed as basic catalyst for nucleophilic substitution reactions: An analysis of the adopted approach and hypothesized new perspectives, Application of Fmoc-Pro-OH, the publication is Inorganica Chimica Acta (2021), 120630, database is CAplus.

The present article reports on an excursus of substitution reactions performed on different halo-compounds and several cyclic sulfamidates that are readily accessible to nucleophilic attack. Essentially, a cysteine sulfhydryl group is employed as nucleophile and the process is promoted by the basic sites of activated Zeolites A (4 ? mol. sieves). The catalysis occurs on the external surface of the zeolite, as also assessed by the FT-IR anal. executed on mols. adsorbed on the catalyst. The moderate basicity of the zeolite lattice surface is the prerequisite for conducting chemoselective and in some case stereoselective peptide modifications. The developed methodol. allows an efficient one-pot introduction of exogenous moieties into peptides, useful for developing peptidomimetic and/or peptide-based probes.

Inorganica Chimica Acta published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C18H10, Application of Fmoc-Pro-OH.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Castelli, Riccardo published the artcileBenzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines, Safety of 2,2′-Dithiodibenzoic acid, the publication is Journal of Medicinal Chemistry (2020), 63(3), 1261-1280, database is CAplus and MEDLINE.

We describe a set of benzisothiazolinone (BTZ) derivatives that are potent inhibitors of monoacylglycerol lipase (MGL), the primary degrading enzyme for the endocannabinoid 2-arachidonoyl-sn-glycerol (2-AG). Structure-activity relationship studies evaluated various substitutions on the nitrogen atom and the benzene ring of the BTZ nucleus. Optimized derivatives with nanomolar potency allowed to investigate the mechanism of MGL inhibition. Site-directed mutagenesis and mass spectrometry experiments showed that BTZs interact in a covalent reversible manner with regulatory cysteines, Cys201 and Cys208, causing a reversible sulfenylation known to modulate MGL activity. Metadynamics simulations revealed that BTZ adducts favor a closed conformation of MGL that occludes substrate recruitment. The BTZ derivative 13 protected neuronal cells from oxidative stimuli and increased 2-AG levels in mouse brain. The results identify Cys201 and Cys208 as key regulators of MGL function, and point to the BTZ scaffold as a useful starting point for the discovery of allosteric MGL inhibitors.

Journal of Medicinal Chemistry published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C14H10O4S2, Safety of 2,2′-Dithiodibenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Sanders, Charles R. II published the artcileOrientational behavior of phosphatidylcholine bilayers in the presence of aromatic amphiphiles and a magnetic field, Safety of 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, the publication is Biophysical Journal (1993), 64(4), 1069-80, database is CAplus and MEDLINE.

A number of aromatic-containing additives which can influence the orientation of fragments of lipid bilayer membranes by a magnetic field have been investigated. Two properties of these additives prove important: (1) sufficient detergency to facilitate reorganization of bilayer components and (2) sufficient anisotropy in magnetic susceptibility to alter the preferred direction of fragment orientation. Triton X-100 is identified as effective in terms of facilitating magnetic field ordering of bilayer fragments but does not alter the preferred direction of orientation. A combination of the detergent CHAPSO (3-[(3-cholamidopropyl)-dimethylammonio]-1-propane sulfonate) and the aromatic alc. 1-naphthol facilitates both ordering and alters the preferred direction of bilayer orientation. As mixtures of dimyristoylphosphatidylcholine (DMPC) and CHAPSO, which orient with bilayer normals perpendicular to the magnetic field, were titrated with 1-naphthol, the assemblies underwent transitions, first to random orientation, and then to an orientation with bilayer normals parallel to the field. Based on temperature-induced phase transitions and the extent of motional averaging of the ³¹P shielding tensor of the DMPC headgroup, the DMPC in these oriented samples appears to maintain a bilayer morphol. during transitions. The insight provided in this study regarding factors which influence fragment stability and orientation lays the groundwork for the design of improved field-oriented media for spectroscopic investigation of membrane components.

Biophysical Journal published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Safety of 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Vazquez, Luis published the artcileA new urea adducts method for PUFA concentration using green food grade solvents and avoiding ethyl carbamate formation, SDS of cas: 6217-54-5, the publication is Food Chemistry (2022), 133197, database is CAplus and MEDLINE.

This study aimed to selectively enrich stearidonic acid (SDA) together with ¦Ã-linolenic acid (GLA) in Echium plantagineum oil by urea complexation. The complexation process at room temperature was carried out replacing common organic solvents, such as hexane and ethanol, by alternative compounds, included in Green Solvent and Food Grade categories, adapting this process towards the principles of Green Chem. This substitution was also intended to avoid the generation of the toxic compound Et carbamate. Among all the solvents studied, the mixture propionic acid and ¦Á-pinene provided the best results, leading to a final product comprised of ?99% of PUFA, with ?45% SDA (?14% in the original oil), and without apparition of Et carbamate. The procedure was tested on other raw materials (salmon and microalgae oils). The solvent was efficiently recuperated from the liquid phase (?87% recovery) and reutilized once with almost identical results.

Food Chemistry published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C8H10O2, SDS of cas: 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lunn, George published the artcileDecontamination of aqueous solutions of biological stains, Quality Control of 10510-54-0, the publication is Biotechnic & Histochemistry (1991), 66(6), 307-15, database is CAplus and MEDLINE.

Aqueous solutions of a number of biol. stains were completely decontaminated to the limit of detection using Amberlite resins. Amberlite XAD-16 was the most generally applicable resin but Amberlite XAD-2, Amberlite XAD-4, and Amberlite XAD-7 could be used to decontaminate some solutions Solutions of Acridine Orange, Alcian Blue 8GX, Alizarine Red S, azure A, azure B, congo red, cresyl violet acetate, crystal violet, eosin B, erythrosin B, ethidium bromide, Janus Green B, methylene blue, Neutral Red, nigrosin, orcein, propidium iodide, Rose Bengal, safranine O, Toluidine Blue O, and trypan blue could be completely decontaminated to the limit of detection and solutions of eosin Y and Giemsa stain were decontaminated to very low levels (<0.02 ppm) using Amberlite XAD-16. Fourteen of the 23 stains tested were mutagenic to Salmonella?typhimurium. None of the completely decontaminated solutions were mutagenic.

Biotechnic & Histochemistry published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Quality Control of 10510-54-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Duggan, Nisharnthi M. published the artcileTotal synthesis of the spider-venom peptide Hi1a, Name: Fmoc-Pro-OH, the publication is Organic Letters (2021), 23(21), 8375-8379, database is CAplus and MEDLINE.

Hi1a is a venom peptide from the Australian funnel-web spider Hadronyche infensa with a complex tertiary structure. Hi1a has neuroprotective and cardioprotective properties due to its potent inhibition of acid-sensing ion channel 1a (ASIC1a) and is currently being pursued as a novel therapy for acute ischemic events. Herein, we describe the total synthesis of Hi1a using native chem. ligation. The synthetic peptide was successfully folded and exhibited similar inhibitory activity on ASIC1a to recombinant Hi1a.

Organic Letters published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, Name: Fmoc-Pro-OH.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia