Month: December 2022

Yao, Yujie published the artcileN-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways, Name: 2,2,6,6-Tetramethylpiperidin-4-one, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2020), 122708, database is CAplus.

Nitrogen-containing heterocyclic contaminants (NHCs) have aroused intense environmental issues in waterbody because of their high toxicity and strong recalcitrance against natural degradation In this study, ozonation degradation on four typical NHCs – benzotriazole (BTA), benzimidazole (BMZ), indazole (IDZ), and indole (IDO) was carried out to investigate the effects of N atoms on degradation efficiency. Global softness of the NHCs was calculated by d. functional theory (DFT) and correlated with ozonation efficiency. It was discovered that higher global softness of the NHCs resulted in the greater degradation efficiency. Mineralization results together with the quenching tests results suggested that NHCs with ortho-positioned N atoms in heterocyclic ring are easier to be mineralized, while the presence of para-positioned N atoms increased the recalcitrance for destruction. Apart from hydroxyl radicals, superoxide radicals and singlet oxygens were also identified by ESR (EPR) spectra. Condensed Fukui index was employed to probe the potential active sites for both direct ozone oxidation and radical-based attack. Single point energies were further calculated among these active sites to seek the initial-stage hydroxylation intermediates. Combined the calculation results with the identified intermediates from time-of-flight mass spectroscopy (TOF-MS), degradation routes of the NHCs were proposed. This study discovered structure-dependent behavior of NHCs on ozonation efficiency and envisaged a more accurate strategy for establishing the degradation pathway.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C6H17NO3Si, Name: 2,2,6,6-Tetramethylpiperidin-4-one.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Peng, Yanhua published the artcileA comparison of SMX degradation by persulfate activated with different nanocarbons: Kinetics, transformation pathways, and toxicity, Recommanded Product: 2,2,6,6-Tetramethylpiperidin-4-one, the publication is Applied Catalysis, B: Environmental (2022), 121345, database is CAplus.

Nanocarbon-based advanced oxidation processes (AOPs) are widely used in wastewater purification However, the properties of different carbon catalysts lead to differences in the organic degradation mechanism and toxicity of wastewater treatment. Herein, this study provides insight into the differences between the oxidation of sulfamethoxazole (SMX) by carbon nanotube (CNT)/peroxymonosulfate (PMS), nanodiamond (ND)/PMS and PMS-alone systems. The pseudo-first-order reaction constant of the reaction of the SO₄^·--dominated CNT/PMS system with SMX is 19-fold and 30-fold higher than those of the ¹O₂-dominated ND/PMS system and PMS direct oxidation system at pH= 7, resp. In addition, d. functional theory (DFT) calculations and product anal. show that SO₄^·- mainly attacks the aniline and sulfonyl groups, while oxidation of the aniline group is the dominant mode of PMS direct oxidation and ¹O₂ reactivity. The formation of nitro and nitroso byproducts after SMX degradation determines the toxicity difference, and the CNT/PMS system is even more advantageous.

Applied Catalysis, B: Environmental published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C9H17NO, Recommanded Product: 2,2,6,6-Tetramethylpiperidin-4-one.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Bai, Rui published the artcileRapid and efficient removal of naproxen from water by CuFe₂O₄ with peroxymonosulfate, Safety of 2,2,6,6-Tetramethylpiperidin-4-one, the publication is Environmental Science and Pollution Research (2020), 27(17), 21542-21551, database is CAplus and MEDLINE.

Abstract: Naproxen, a widely used nonsteroidal anti-inflammatory drug, has been detected in many environmental matrixes and is regarded as an emerging pollutant. Sulfate radical (SO₄·^–) -based advanced oxidation processes have attracted wide attention due to their high efficiency and applicability in the removal of emerging contaminants. In this study, CuFe₂O₄ was used as an efficient catalyst to activate peroxymonosulfate to oxidize naproxen. The results suggested that 92.3% of naproxen was degraded and 50.3% total organic carbon was removed in 60 min in the presence of 0.3 g·L^-1 CuFe₂O₄ and 2 mM peroxymonosulfate. This degradation system showed strong adaptability in a wide pH range from 4.0 to 10.0. Free radical scavenger experiments and ESR anal. indicated that ¹O₂, ·OH, and SO₄·^– are the main active species. Finally, the potential degradation pathways of naproxen were proposed by detecting and analyzing the degradation products with ultra-high-performance liquid chromatog. combined with mass spectrometry. The results of this study suggest that the CuFe₂O₄-activated peroxymonosulfate system is a promising technol. for the removal of naproxen from natural water.

Environmental Science and Pollution Research published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C9H17NO, Safety of 2,2,6,6-Tetramethylpiperidin-4-one.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Sun, Wenhao published the artcileDesigned polymeric conjugation motivates tunable activation of molecular oxygen in heterogeneous organic photosynthesis, Name: 2,2,6,6-Tetramethylpiperidin-4-one, the publication is Science Bulletin (2022), 67(1), 61-70, database is CAplus.

Herein, the first identification of tunable mol. oxygen activation induced by polymeric conjugation in nonmetallic conjugated microporous polymers (CMP) was reported. The conjugation between these can be achieved by the introduction of alkynyl groups. CMP-A with an alkynyl bridge facilitates the intramol. charge mobility while CMP-D, lacking an alkynyl group enhances the photoexcited carrier build-up on the surface from diffusion. These different processes dominate the directed ROS generation of the superoxide radical (·O^–₂) and singlet oxygen (¹O₂), resp. This theory is substantiated by the different performances of these CMPs in the aerobic oxidation of sulfides and the dehydrogenative coupling of amines, and could provide insight into the rational design of CMPs for various heterogeneous organic photosynthesis.

Science Bulletin published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C15H16O3, Name: 2,2,6,6-Tetramethylpiperidin-4-one.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Zhang, Hongbo published the artcileDiscovery of novel small-molecule inhibitors of PD-1/PD-L1 interaction via structural simplification strategy, Safety of Piperidine-4-carboxamide, the publication is Molecules (2021), 26(11), 3347, database is CAplus and MEDLINE.

Blockade of the programmed cell death 1 (PD-1)/programmed cell death-ligand 1 (PD-L1) interaction is currently the focus in the field of cancer immunotherapy, and so far, several monoclonal antibodies (mAbs) have achieved encouraging outcomes in cancer treatment. Despite this achievement, mAbs-based therapies are struggling with limitations including poor tissue and tumor penetration, long half-life time, poor oral bioavailability, and expensive production costs, which prompted a shift towards the development of the small-mol. inhibitors of PD-1/PD-L1 pathways. Even though many small-mol. inhibitors targeting PD-1/PD-L1 interaction have been reported, their development lags behind the corresponding mAb, partly due to the challenges of developing drug-like small mols. Herein, we report the discovery of a series of novel inhibitors targeting PD-1/PD-L1 interaction via structural simplification strategy by using BMS-1058 as a starting point. Among them, compound A9 stands out as the most promising candidate with excellent PD-L1 inhibitory activity (IC₅₀ = 0.93 nM, LE = 0.43) and high binding affinity to hPD-L1 (K_D = 3.64 nM, LE = 0.40). Furthermore, A9 can significantly promote the production of IFN-γ in a dose-dependent manner by rescuing PD-L1 mediated T-cell inhibition in Hep3B/OS-8/hPD-L1 and CD3-pos. T cells co-culture assay. Taken together, these results suggest that A9 is a promising inhibitor of PD-1/PD-L1 interaction and is worthy for further study.

Molecules published new progress about 39546-32-2. 39546-32-2 belongs to piperidines, auxiliary class Piperidine,Amine,Amide, name is Piperidine-4-carboxamide, and the molecular formula is C11H24O3, Safety of Piperidine-4-carboxamide.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Zhang, Xiao-Cong published the artcileTurning thiophene contaminant into polymers from wastewater by persulfate and CuO, Synthetic Route of 826-36-8, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2020), 125351, database is CAplus.

turning heterocyclic pollutants into polymers from industrial wastewater is a promising method which opens a new door for feasible, cost effective aromatic wastewater treatment. CuO displayed high reactivity for the catalytic oxidation of thiophene by persulfate (PS) in pH-neutral conditions; the observed rate constant (k_obs) for the PS-CuO system was âˆ?0 times that of the PS-alone system at pH 7.0. the linear relationship between consumed PS and removed thiophene showed a complete removal of 1.0 mM thiophene from solution required 1.11 mM PS in the PS-CuO system, indicating thiophene has not been completely mineralized to CO₂ and water. quenching experiments and EPR anal. ruled out contributions of O₂â€?sup>- and ¹O₂ to thiophene oxidation, suggesting that although SO₄â€?sup>- and OH^– contribute to thiophene oxidation to some extent, they are not the primary oxidants in the PS-CuO system at pH 7.0. the presence of thiophene radical cation indicated electron abstraction from thiophene is an important oxidation pathway. produced thiophene radical cations are polymerized into polymers. solid characterizations further confirmed polythiophene-S,S-dioxide is the primary oxidation product. an electrochem. anal. indicated produced polythiophene-S,S-dioxide polymers showed pseudo-capacitive characteristics and can be used for capacitors.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C17H37NO3, Synthetic Route of 826-36-8.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Lv, Kai published the artcileDesign, synthesis and anti-HBV activity of NVR3-778 derivatives, Name: Piperidine-4-carboxamide, the publication is Bioorganic Chemistry (2020), 103363, database is CAplus and MEDLINE.

NVR3-778, one of the most advanced capsid assembly modulators (CAMs), is currently in phase II clin. trial for the treatment of HBV infection. In this study, we reported the first structure optimization of NVR3-778. Compound 2d was found to exhibit more potent anti-HBV activity (IC₅₀: 0.25μM), lower cytotoxicity (CC₅₀: 10.68μM) and higher selectivity index (SI: 40.72) than NVR3-778 (IC₅₀: 0.33μM; CC₅₀: 5.14μM; SI: 18.36) in vitro, and also display similar inhibitory effect on the assembly of HBV capsids as NVR3-778. Mol. docking further suggested that compound 2d might form a stronger interaction with core protein. Moreover, compound 2d also showed acceptable pharmacokinetic profiles. Currently compound 2d was selected as a new lead for further modifications, and studies to determine the in vivo anti-HBV studies of 2d will begin soon.

Bioorganic Chemistry published new progress about 39546-32-2. 39546-32-2 belongs to piperidines, auxiliary class Piperidine,Amine,Amide, name is Piperidine-4-carboxamide, and the molecular formula is C6H12N2O, Name: Piperidine-4-carboxamide.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Huang, Zhiyan published the artcileDefect-rich carbon based bimetallic oxides with abundant oxygen vacancies as highly active catalysts for enhanced 4-aminobenzoic acid ethyl ester (ABEE) degradation toward peroxymonosulfate activation, Quality Control of 826-36-8, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2020), 124936, database is CAplus.

meeting severe environmental problems, highly efficient, environment-friendly, multiple reusable catalysts are demanding to develop. this work prepared C-based bimetallic oxides with O vacancies for peroxymonosulfate activation to degrade 4-aminobenzoic acid Et ester (ABEE). among different molar ratios of Fe₂⁺ and Mn ions, Fe₁Mn₁-Fe NC had the optimum catalytic performance. ABEE degradation should have free radical and non-free radical pathways. all sulfate, hydroxyl, and superoxide radicals and singlet oxygen were responsible for efficient ABEE degradation and mineralization. lattice O was the main reactive site for ABEE degradation electron transport provided a good synergistic redox reaction between Fe and Mn and promoted lattice O release. a proposed pathway for ABEE degradation included electrophilic and radical addition, H-abstraction reaction, and diazotization. this work was expected to provide rational design of bimetallic materials with oxygen vacancies for in-situ environmental remediation.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 826-36-8. 826-36-8 belongs to piperidines, auxiliary class Natural product, name is 2,2,6,6-Tetramethylpiperidin-4-one, and the molecular formula is C9H17NO, Quality Control of 826-36-8.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Zheng, Jiamin published the artcileSmall molecule approaches to treat autoimmune and inflammatory diseases (Part I): Kinase inhibitors, Recommanded Product: (R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 127862, database is CAplus and MEDLINE.

Autoimmune and inflammatory diseases place a huge burden on the healthcare system. Small mol. (SM) therapeutics provide much needed complementary treatment options for these diseases. This digest series highlights the latest progress in the discovery and development of safe and efficacious SMs to treat autoimmune and inflammatory diseases with each part representing a class of SMs, namely: (1) protein kinases; (2) nucleic acid-sensing pathways; and (3) soluble ligands and receptors on cell surfaces. In this first part of the series, the focus is on kinase inhibitors that emerged between 2018 and 2020, and which exhibit increased target and tissue selectivity with the aim of increasing their therapeutic index.

Bioorganic & Medicinal Chemistry Letters published new progress about 1971920-73-6. 1971920-73-6 belongs to piperidines, auxiliary class Other Aliphatic Heterocyclic,Piperidine,Alkenyl,Amine,Benzene,Ether,Inhibitor,Inhibitor, name is (R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one, and the molecular formula is C22H38O2, Recommanded Product: (R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem

Crich, David published the artcile1-Naphthylpropargyl Ether Group: A Readily Cleaved and Sterically Minimal Protecting System for Stereoselective Glycosylation, Quality Control of 4972-31-0, the publication is Organic Letters (2006), 8(21), 4879-4882, database is CAplus and MEDLINE.

The (1-naphthyl)propargyl group is introduced as a sterically unobtrusive alc. protecting group that is cleaved in a single step by exposure to dichlorodicyanoquinone in wet dichloromethane. In conjunction with the 4,6-O-benzylidene protecting group, and the use of the sulfoxide glycosylation method, 3-O-naphthylpropargyl-protected mannosyl donors are extremely β-selective.

Organic Letters published new progress about 4972-31-0. 4972-31-0 belongs to piperidines, auxiliary class Piperidine,Benzene, name is 1-(Phenylsulfinyl)piperidine, and the molecular formula is C11H15NOS, Quality Control of 4972-31-0.

Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem