Month: December 2022

Ding, Ge published the artcileStrengthened near-IR two-photon absorption induced emission of ESIPT chromophores by molecular aggregation, SDS of cas: 104-03-0, the publication is Colloids and Surfaces, A: Physicochemical and Engineering Aspects (2021), 127476, database is CAplus.

In this study, a range of new free open-chain conjugated organic chromophores including salicylidene methylamine part were synthesized and characterized. The steady state and transient state absorption and emission properties of the target dyes in DMF were investigated. The results showed that the target dyes processed the excited state intramol. proton transfer (ESIPT) in DMF under one-photon excitation. Furthermore, the ESIPT was more competitive under the exposure of pulsed pumping near-IR femtosecond laser in DMF. The further survey showed that the target dyes yielded gradually the regular mol. aggregates in the mixed DMF/H2O (the water volume fractions, 60-80%) with evolving time. In particular, the target mol. aggregates exhibited the strong enol emission but the quenched keto emission under one-photon exposure and near-IR two-photon irradiation, resp. In addition, the near-IR two-photon absorption (TPA) induced enol emission of the target dyes showed an enhancement in the aggregation state. This study demonstrates that it is feasible to strengthen TPA induced emission of enol phototautomers of some ESIPT compounds by the mol. aggregation under the irradiation of near-IR femtosecond laser.

Colloids and Surfaces, A: Physicochemical and Engineering Aspects published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, SDS of cas: 104-03-0.

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

Gao, Yue published the artcileAnalysis of codon usage bias of WRKY transcription factors in Helianthus annuus, Related Products of catalysis-chemistry, the publication is BMC Genomic Data (2022), 23(1), 46, database is CAplus and MEDLINE.

The phenomenon of codon usage bias is known to exist in many genomes and is mainly determined by mutation and selection. Codon usage bias anal. is a suitable strategy for identifying the principal evolutionary driving forces in different organisms. Sunflower (Helianthus annuus L.) is an annual crop that is cultivated worldwide as ornamentals, food plants and for their valuable oil. The WRKY family genes in plants play a central role in diverse regulation and multiple stress responses. Evolutionary anal. of WRKY family genes of H. annuus can provide rich genetic information for developing hybridization resources of the genus Helianthus. Bases composition anal. showed the average GC content of WRKY genes of H. annuus was 43.42%, and the average GC3 content was 39.60%, suggesting that WRKY gene family prefers A/T(U) ending codons. There were 29 codons with relative synonymous codon usage (RSCU) greater than 1 and 22 codons ending with A and U base. The effective number of codons (ENC) and codon adaptation index (CAI) in WRKY genes ranged from 43.47-61.00 and 0.14-0.26, suggesting that the codon bias was weak and WRKY genes expression level was low. Neutrality anal. found a significant correlation between GC12 and GC3. ENC-plot showed most genes on or close to the expected curve, suggesting that mutational bias played a major role in shaping codon usage. The Parity Rule 2 plot (PR2) anal. showed that the usage of AT and GC was disproportionate. A total of three codons were identified as the optimal codons. Apart from natural selection effects, most of the genetic evolution in the H. annuus WRKY genome might be driven by mutation pressure. Our results provide a theor. foundation for elaborating the genetic architecture and mechanisms of H. annuus and contributing to enrich H. annuus genetic resources.

BMC Genomic Data published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, Related Products of catalysis-chemistry.

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

Ma, Ronghua published the artcileConstructing discontinuous silicon-island structure with low surface energy based on the responsiveness of hydrophilic layers to improve the anti-fouling property of membranes, Computed Properties of 13822-56-5, the publication is Journal of Membrane Science (2022), 120770, database is CAplus.

In recent years, membrane separation technol. has been widely used in various fields. And for the increasingly severe oily wastewater system, there is an increasing demand for the anti-fouling properties of the membranes. Based on the concept of fluorine-free, non-toxic, environmental-friendly and low-cost, this study constructed a discontinuous silicon-island structure with low surface energy on the surface of the hydrophilic membrane, which endows the PVDF-CTFE membrane with fouling resistance and cleaning pH-responsiveness. The discontinuous silicon-island structures were constructed by introducing SiO₂ nanoparticles on the super-hydrophilic layer of the PVDF-CTFE membrane modified by itaconic acid, and then hydrophobically treated with polydimethylsiloxane (PDMS). The exptl. results exhibited that the modified membrane reached the hydrophobic and underwater super-oleophobic state when treated by PDMS for 1.0 h. The water contact angle (WCA) and the underwater oil contact angle (OCA) were 124¡ã and 151¡ã, resp. Furthermore, the water flux remained at 186 L m^-2 h^-1 with no serious pore-plugging. Moreover, the water flux decay rate (FDR) remained below 19.6%, when modified membrane treating soybean oil/water emulsion for 6 cycles, presenting an excellent anti-fouling performance. Addnl., the water flux recovery rate (FRR) was over 99.3% after alkali cleaning, indicating the modified membrane possessed excellent cleaning pH-responsiveness. The above anal. exhibited that the synergistic effect of hydrophilic micro-domains and oleophobic micro-domains not only slows down the attachment of hydrophobic pollutants but also promotes the separation of hydrophobic pollutants during chem. cleaning, which greatly improves its anti-fouling performance and expands its application prospect.

Journal of Membrane Science published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H17NO3Si, Computed Properties of 13822-56-5.

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

Qian, Wangke published the artcileDesign, synthesis, and pharmacological evaluation of novel tetrahydroprotoberberine derivatives: Selective inhibitors of dopamine D₁ receptor, Quality Control of 4230-93-7, the publication is Bioorganic & Medicinal Chemistry (2012), 20(15), 4862-4871, database is CAplus and MEDLINE.

A series of new tetrahydroprotoberberine (THPB) derivatives were designed, synthesized, and tested for their binding affinity towards dopamine (D₁ and D₂) and serotonin (5-HT_1A and 5-HT_2A) receptors. Many of the THPB compounds exhibited high binding affinity and activity at the dopamine D₁ receptor, as well as high selectivity for the D₁ receptor over the D₂, 5-HT_1A, and 5-HT_2A receptors. Among these, compound I exhibited a promising D₁ receptor binding affinity (K_i = 2.53 nM) and remarkable selectivity vs. D₂R (inhibition = 81.87%), 5-HT_1AR (inhibition = 61.70%), and 5-HT_2AR (inhibition = 24.96%). Compared with l-(S)-stepholidine (l-SPD) (D₁K_i = 6.23 nM, D₂K_i = 56.17 nM), compound I showed better binding affinity for the D₁ receptor (2.5-fold higher) and excellent D₂/D₁ selectivity. Functional assays found compounds II, III, and I are pure D₁ receptor antagonists. These results indicate that removing the C10 hydroxy group and introducing a methoxy group at C11 of the pharmacophore of l-SPD can reverse the function of THPB compounds at the D₁ receptor. These results are in accord with mol. docking studies.

Bioorganic & Medicinal Chemistry published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, Quality Control of 4230-93-7.

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

Jakobsson, Jimmy E. published the artcile[¹¹C]Carbonyl Difluoride-a New and Highly Efficient [¹¹C]Carbonyl Group Transfer Agent, Name: N1,N2-Dibenzylethane-1,2-diamine, the publication is Angewandte Chemie, International Edition (2020), 59(18), 7256-7260, database is CAplus and MEDLINE.

Herein, the synthesis and use of [¹¹C]carbonyl difluoride for labeling heterocycles with [¹¹C]carbonyl groups in high molar activity is described. A very mild single-pass gas-phase conversion of [¹¹C]carbon monoxide into [¹¹C]carbonyl difluoride over silver(II) fluoride provides easy access to this new synthon in robust quant. yield for labeling a broad range of cyclic substrates, for example, imidazolidin-2-ones, thiazolidin-2-ones, and oxazolidin-2-ones. Labeling reactions may utilize close-to-stoichiometric precursor quantities and short reaction times at room temperature in a wide range of solvents while also showing high water tolerability. The overall radiosynthesis protocol is both simple and reproducible. The required apparatus can be constructed from widely available parts and is therefore well suited to be automated for PET radiotracer production We foresee that this straightforward method will gain wide acceptance for PET radiotracer syntheses across the radiochem. community.

Angewandte Chemie, International Edition published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Name: N1,N2-Dibenzylethane-1,2-diamine.

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

Hu, Wen-Yang published the artcilePer- and polyfluoroalkyl substances target and alter human prostate stem-progenitor cells, Computed Properties of 118-90-1, the publication is Biochemical Pharmacology (Amsterdam, Netherlands) (2022), 114902, database is CAplus and MEDLINE.

Per- and polyfluorinated alkyl substances (PFAS) are a large family of widely used synthetic chems. that are environmentally and biol. persistent and present in most individuals. Chronic PFAS exposure have been linked to increased prostate cancer risk in occupational settings, however, underlying mechanisms have not been interrogated. Herein we examined exposure of normal human prostate stem-progenitor cells (SPCs) to 10 nM PFOA or PFOS using serial passage of prostasphere cultures. Exposure to either PFAS for 3-4 wk increased spheroid numbers and size indicative of elevated stem cell self-renewal and progenitor cell proliferation. Transcriptome anal. using single-cell RNA sequencing (scRNA-seq) showed 1) SPC expression of PPARs and RXRs able to mediate PFAS effects, 2) the emergence of a new cell cluster of aberrantly differentiated luminal progenitor cells upon PFOS/PFOA exposure, and 3) enrichment of cancer-associated signaling pathways. Metabolomic anal. of PFAS-exposed prostaspheres revealed increased glycolytic pathways including the Warburg effect as well as strong enrichment of serine and glycine metabolism which may promote a pre-malignant SPC fate. Finally, growth of in vivo xenografts of tumorigenic RWPE-2 human prostate cells, shown to contain cancer stem-like cells, was markedly enhanced by daily PFOS feeding to nude mice hosts. Together, these findings are the first to identify human prostate SPCs as direct PFAS targets with resultant reprogrammed transcriptomes and metabolomes that augment a preneoplastic state and may contribute to an elevated prostate cancer risk with chronic exposures.

Biochemical Pharmacology (Amsterdam, Netherlands) published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Computed Properties of 118-90-1.

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

Benediktsdottir, Andrea published the artcileAntibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation, Quality Control of 71989-31-6, the publication is European Journal of Medicinal Chemistry (2021), 113699, database is CAplus and MEDLINE.

Oligopeptide boronates with a lipophilic tail are known to inhibit the type I signal peptidase in E. coli, which is a promising drug target for developing novel antibiotics. Antibacterial activity depends on these oligopeptides having a cationic modification to increase their permeation. Unfortunately, this modification is associated with cytotoxicity, motivating the need for novel approaches. The sulfonimidamide functionality has recently gained much interest in drug design and discovery, as a means of introducing chirality and an imine-handle, thus allowing for the incorporation of addnl. substituents. This in turn can tune the chem. and biol. properties, which are here explored. We show that introducing the sulfonimidamide between the lipophilic tail and the peptide in a series of signal peptidase inhibitors resulted in antibacterial activity, while the sulfonamide isostere and previously known non-cationic analogs were inactive. Addnl., we show that replacing the sulfonamide with a sulfonimidamide resulted in decreased cytotoxicity, and similar results were seen by adding a cationic sidechain to the sulfonimidamide motif. This is the first report of incorporation of the sulfonimidamide functional group into bioactive peptides, more specifically into antibacterial oligopeptides, and evaluation of its biol. effects.

European 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, Quality Control of 71989-31-6.

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

Li, Yuehui published the artcileHighly Chemoselective Metal-Free Reduction of Phosphine Oxides to Phosphines, Related Products of catalysis-chemistry, the publication is Journal of the American Chemical Society (2012), 134(44), 18325-18329, database is CAplus and MEDLINE.

Unprecedented chemoselective reductions of phosphine oxides to phosphines proceed smoothly in the presence of catalytic amounts of specific Bronsted acids. By utilizing inexpensive silanes, e.g., PMHS or (EtO)₂MeSiH, other reducible functional groups such as ketones, aldehydes, olefins, nitriles, and esters are well-tolerated under optimized conditions.

Journal of the American Chemical Society published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H15OP, Related Products of catalysis-chemistry.

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

Spaller, William C. published the artcileTetrahydroxydiboron-Mediated Palladium-Catalyzed Deoxygenative Transfer Hydrogenation of Aryl Ketones, Name: Bis(4-fluorophenyl)methane, the publication is Advanced Synthesis & Catalysis (2022), 364(15), 2571-2575, database is CAplus.

A palladium-catalyzed deoxygenative transfer hydrogenation of ketones ArC(O)R (Ar = Ph, 4-phenylphenyl, naphthalen-2-yl, etc.: R = Me, Ph, cyclobutyl, etc.) using B₂(OH)₄ as the sole additive was described. Deuterium labeling experiments using B₂(OD)₄ show that the incorporated protons originate exclusively from the diboron reagent. Spectroscopic evidence implicates the intermediacy of a borate ester. A variety of aromatic ketones can be deoxygenated using this approach.

Advanced Synthesis & Catalysis published new progress about 457-68-1. 457-68-1 belongs to catalysis-chemistry, auxiliary class Fluoride,Benzene, name is Bis(4-fluorophenyl)methane, and the molecular formula is C10H18O, Name: Bis(4-fluorophenyl)methane.

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

Parmeggiani, Fabio published the artcileSynthesis of D– and L-Phenylalanine Derivatives by Phenylalanine Ammonia Lyases: A Multienzymatic Cascade Process, COA of Formula: C9H7NO4, the publication is Angewandte Chemie, International Edition (2015), 54(15), 4608-4611, database is CAplus and MEDLINE.

The synthesis of substituted D-phenylalanines in high yield and excellent optical purity, starting from inexpensive cinnamic acids, has been achieved with a novel one-pot approach by coupling phenylalanine ammonia lyase (PAL) amination with a chemoenzymic deracemization (based on stereoselective oxidation and nonselective reduction). A simple high-throughput solid-phase screening method has also been developed to identify PALs with higher rates of formation of non-natural D-phenylalanines. The best variants were exploited in the chemoenzymic cascade, thus increasing the yield and ee value of the D-configured product. Furthermore, the system was extended to the preparation of those L-phenylalanines which are obtained with a low ee value using PAL amination.

Angewandte Chemie, International Edition published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, COA of Formula: C9H7NO4.

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