Month: November 2022

Freitas, Brendan T. published the artcileExploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses, Related Products of catalysis-chemistry, the publication is ACS Infectious Diseases (2022), 8(3), 596-611, database is CAplus and MEDLINE.

Over the last 20 years, both severe acute respiratory syndrome coronavirus-1 and severe acute respiratory syndrome coronavirus-2 have transmitted from animal hosts to humans causing zoonotic outbreaks of severe disease. Both viruses originate from a group of betacoronaviruses known as subgroup 2b. The emergence of two dangerous human pathogens from this group along with previous studies illustrating the potential of other subgroup 2b members to transmit to humans has underscored the need for antiviral development against them. Coronaviruses modify the host innate immune response in part through the reversal of ubiquitination and ISGylation with their papain-like protease (PLpro). To identify unique or overarching subgroup 2b structural features or enzymic biases, the PLpro from a subgroup 2b bat coronavirus, BtSCoV-Rf1.2004, was biochem. and structurally evaluated. This evaluation revealed that PLpros from subgroup 2b coronaviruses have narrow substrate specificity for K48 polyubiquitin and ISG15 originating from certain species. The PLpro of BtSCoV-Rf1.2004 was used as a tool alongside PLpro of CoV-1 and CoV-2 to design 30 novel noncovalent drug-like pan subgroup 2b PLpro inhibitors that included determining the effects of using previously unexplored core linkers within these compounds Two crystal structures of BtSCoV-Rf1.2004 PLpro bound to these inhibitors aided in compound design as well as shared structural features among subgroup 2b proteases. Screening of these three subgroups 2b PLpros against this novel set of inhibitors along with cytotoxicity studies can provide new directions for pan-coronavirus subgroup 2b antiviral development of PLpro inhibitors.

ACS Infectious Diseases 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, Related Products of catalysis-chemistry.

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

Asare-Okai, P. N. published the artcileSite-specific fluorescence labelling of RNA using bio-orthogonal reaction of trans-cyclooctene and tetrazine, SDS of cas: 1466420-02-9, the publication is Chemical Communications (Cambridge, United Kingdom) (2014), 50(58), 7844-7847, database is CAplus and MEDLINE.

This communication describes a general approach for site-specific fluorescence labeling of RNA using a cytidine triphosphate (CTP) analog derivatized with a trans-cyclooctene group. The analog was efficiently incorporated into a model RNA strand using in vitro transcription. Bio-orthogonal reaction with fluorescein-labeled tetrazine was utilized to fluorescently tag the synthetic RNA strand.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1466420-02-9. 1466420-02-9 belongs to catalysis-chemistry, auxiliary class Copper-Free Click Chemistry,Tetrazine, name is (4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine trifluoroacetic acid, and the molecular formula is C12H12F3N5O2, SDS of cas: 1466420-02-9.

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

Reis, Mariza G. published the artcileComparative evaluation of miniaturized and conventional NIR spectrophotometer for estimation of fatty acids in cheeses, Formula: C22H32O2, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2022), 121433, database is CAplus and MEDLINE.

The miniaturization of near-IR spectrometers has been growing rapidly. Several designs are now available, but there is a lack of understanding of how spectral data from these designs are affected by complex matrixes and what are the limitations when compared to established systems. This study compares a popular miniaturized NIR device based on Hadamard-transform spectrometer (named miniaturized NIR) with a system based on dispersive spectrometer (named handheld-NIR) to assess:. (1) Their predictive performance;. (2) The effect of a complex matrix on the performance, and. (3) Ability to discriminate multiples compounds in that matrix. The devices were challenged with a wide range of cheese types (n = 36) from different species (cow, goat, ewe and buffalo), brands (n = 30), countries of origin (n = 9) and with a broad range of cheese matrixes (soft, fresh, semi-hard, hard and aged) to predict fat composition Spectra were collected non-invasively with no sample preparation Three wavelength ranges from handheld NIR were compared to miniaturized NIR based on two modeling approaches were used: a linear (Partial Least Square – PLS) and a non-linear (Support Vector Machine – SVM). The important wavelengths for each model were identified and used to assess the ability of the spectral data to differentiate among fatty acids. The highest prediction performance was observed for saturated fatty acids (C4.0, C14.0, C15.0 C16.0, total SCF and total SFA) with the RPD_EXT-VAL for the external validation dataset presenting values higher than 3 and the coefficient of determination for the external validation dataset (R²_EXT-VAL) higher than 0.89, mostly for SVM models. The sum of fatty acids also shows good prediction performance with RPD_EXT-VAL higher than 3 and R²_EXT-VAL higher than 0.89. Models with RPD_EXT-VAL between 2 and 3 includes: C6.0; C17.0; C18.0; C10.1; C16.1; C17.1; iso.C15.0; iso. C.16; iso.C17; C18.1.c11; C18.1.c9; anteiso C17; total MUFA; and total BCFA. The cheese matrix affected the linearity between spectral data and fatty acids concentration requiring a more complex model (SVM), but this effect was not enhanced by the instrument type. It was shown that the spectral information allows discrimination among fatty acids and this ability was not affected by the type of instrument. These findings demonstrated that the miniaturized NIR can be directly applied to a cheese matrix to monitor fatty acid composition with results equivalent to an optical-based design.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 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 C22H32O2, Formula: C22H32O2.

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

Sohn, Chang Ho published the artcileDesigner Reagents for Mass Spectrometry-Based Proteomics: Clickable Cross-Linkers for Elucidation of Protein Structures and Interactions, Recommanded Product: Tetraethylammonium hydrogencarbonate, the publication is Analytical Chemistry (Washington, DC, United States) (2012), 84(6), 2662-2669, database is CAplus and MEDLINE.

The authors present novel homobifunctional amine-reactive clickable cross-linkers (CXLs) for investigation of three-dimensional protein structures and protein-protein interactions (PPIs). CXLs afford consolidated advantages not previously available in a simple cross-linker, including (1) their small size and cationic nature at physiol. pH, resulting in good water solubility and cell-permeability, (2) an alkyne group for bio-orthogonal conjugation to affinity tags via the click reaction for enrichment of cross-linked peptides, (3) a nucleophilic displacement reaction involving the 1,2,3-triazole ring formed in the click reaction, yielding a lock-mass reporter ion for only clicked peptides, and (4) higher charge states of cross-linked peptides in the gas-phase for augmented electron transfer dissociation (ETD) yields. Ubiquitin, a lysine-abundant protein, is used as a model system to demonstrate structural studies using CXLs. To validate the sensitivity of the authors’ approach, biotin-azide labeling and subsequent enrichment of cross-linked peptides are performed for cross-linked ubiquitin digests mixed with yeast cell lysates. Cross-linked peptides are detected and identified by collision induced dissociation (CID) and ETD with linear quadrupole ion trap (LTQ)-Fourier transform ion cyclotron resonance (FTICR) and LTQ-Orbitrap mass spectrometers. The application of CXLs to more complex systems (e.g., in vivo crosslinking) is illustrated by Western blot detection of Cul1 complexes including known binders, Cand1 and Skp2, in HEK 293 cells, confirming good water solubility and cell-permeability.

Analytical Chemistry (Washington, DC, United States) published new progress about 17351-61-0. 17351-61-0 belongs to catalysis-chemistry, auxiliary class Phase Transfer Catalyst, name is Tetraethylammonium hydrogencarbonate, and the molecular formula is C12H15NO, Recommanded Product: Tetraethylammonium hydrogencarbonate.

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

Shkulev, V. A. published the artcileOn the connection between reactivity and charge distribution of the azaadamantane ring, Safety of 1,3,5-Triazaadamantan-7-amine, the publication is Armyanskii Khimicheskii Zhurnal (1989), 42(6), 405-7, database is CAplus.

Charge distributions were calculated for di-, tri-, and tetraazaadamantanes; di- and triazahomoadamantane; and a 3,7-diacetyl-1,3,7-triazabicyclononane. Correlations between charge distribution and reactivity were obtained.

Armyanskii Khimicheskii Zhurnal published new progress about 14707-75-6. 14707-75-6 belongs to catalysis-chemistry, auxiliary class Triazinanes, name is 1,3,5-Triazaadamantan-7-amine, and the molecular formula is C18H34N4O5S, Safety of 1,3,5-Triazaadamantan-7-amine.

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

Martinot, Pauline published the artcileLC-PUFA enrichment in infant formula and neurodevelopment up to age 3.5 years in the French nationwide ELFE birth cohort, Category: catalysis-chemistry, the publication is European Journal of Nutrition (2022), 61(6), 2979-2991, database is CAplus and MEDLINE.

For decades, consistent associations between breastfeeding and children′s neurodevelopment have been attributed to breastmilk content in long-chain polyunsaturated fatty acids (LC-PUFAs). However, the beneficial effect of LC-PUFA enrichment of infant formula on neurodevelopment remains controversial. This study examined the association of LC-PUFA enrichment of infant formulas with neurodevelopment up to age 3.5 years. Analyses were based on 9372 children from the French nationwide ELFE birth cohort. Monthly from 2 to 10 mo, parents declared their infant′s feeding mode, including breastfeeding and the name of the infant formula, which allowed for identifying formulas enriched in arachidonic (ARA), eicosapentaenoic (EPA) and/or docosahexaenoic (DHA) acids. Neurodevelopment was assessed at age 1 and 3.5 years with the Child Development Inventory (CDI-1 and CDI-3.5); at 2 years with the MacArthur-Bates Communicative Development Inventories (MB-2); and at 3.5 years with the Picture Similarities subtest of the British Ability Scale (BAS-3.5). Associations were assessed by linear regression adjusted for any breastfeeding duration and main confounding factors, including socioeconomic characteristics. One-third of formula-fed infants consumed LC-PUFA-enriched formulas. Most of these formulas were enriched in both DHA and ARA, and about 10% of infants consumed formula further enriched in EPA. LC-PUFA enrichment of infant formula was not associated with neurodevelopmental scores at age 1 (CDI-1, – 0.16 [- 0.39, 0.07]), age 2 (MB-2, 0.78 [- 0.33, 1.89]), or age 3.5 (CDI-3.5, – 0.05 [- 0.27, 0.17]; BAS-3.5, – 0.93 [- 2.85, 0.98]). In the ELFE study, LC-PUFA enrichment of infant formula was not associated with neurodevelopmental scores up to 3.5 years.

European Journal of Nutrition 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 C22H32O2, Category: catalysis-chemistry.

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

Chakraborty, Amitabha published the artcileMolecular interaction of oxazine dyes in aqueous solution: Temperature dependent molecular disposition of the aggregates, Computed Properties of 10510-54-0, the publication is Journal of Molecular Liquids (2011), 164(3), 250-256, database is CAplus.

Temperature dependent mol. interaction of oxazine dyes, viz., brilliant cresyl blue (C.I. Basic dye), cresyl violet (C.I. Basic violet 3) and nile blue (C.I. Basic blue 12) are studied in aqueous media within a concentration range of 5.0 × 10^-6 M to 8.0 × 10^-4 M by UV-visible absorption spectroscopy. The effect of temperature on the geometrical structure of the dimer in solution along with the dimerization equilibrium is explained in terms of electrostatic and hydrophobic interactions. Modified non-covalent interaction between two monomer mols. in a dimer as a function of temperature affects the extinction coefficient as well as the geometrical disposition of the dimers and this is well manifested in the exciton splitting of the dimer spectra. The angle θ between main oscillators of the two monomer mols. in a dimer increases by 1.94° for brilliant cresyl blue, whereas an increase of 4.32° and 1.73° were observed for cresyl violet and nile blue resp. due to the increase of temperature from 20 °C to 60 °C.

Journal of Molecular Liquids 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, Computed Properties of 10510-54-0.

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

Rao, B. Nageswara published the artcileConvenient preparation of arylacetic acids by tetracarbonylcobaltate anion-catalyzed carbonylation, SDS of cas: 1860-58-8, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1988), 27B(1), 84-5, database is CAplus.

Tetracarbonylcobaltate catalyst [Co(CO)₄]^–, has been prepared in 6 h by pressure carbonylation of cobalt salt in aqueous alk. solution containing cyanide catalyst. Carbonylation of benzyl chloride derivatives in aqueous methanolic solutions using this catalyst affords arylacetic acids in good yields.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, SDS of cas: 1860-58-8.

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

Cabrero-Antonino, Jose R. published the artcileA general protocol for the reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: mechanistic insights and kinetic studies, Category: catalysis-chemistry, the publication is Catalysis Science & Technology (2016), 6(22), 7956-7966, database is CAplus.

Herein, a general and selective ruthenium-catalyzed reductive methylation of amines using di-Me carbonate as a C₁ source and mol. hydrogen as a reducing agent has been reported. Notably, this methodol. allows N-methylated tertiary aromatic and aliphatic amines to be obtained with good to excellent yields using a green, non-toxic and biodegradable carbon source in the presence of an in situ formed Ru/Triphos complex. The catalytic protocol presented here opens the possibility of developing new sustainable processes for the selective synthesis of N-Me substituted amines using mol. hydrogen. Mechanistic and kinetic studies have been carried out in order to understand the pathways involved in the general reaction mechanism for the N-methylation of aniline.

Catalysis Science & Technology published new progress about 2909-77-5. 2909-77-5 belongs to catalysis-chemistry, auxiliary class Amine,Benzene, name is 2,6-Diisopropyl-N,N-dimethylaniline, and the molecular formula is C14H23N, Category: catalysis-chemistry.

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

Culbert, P. A. published the artcileAutomated synthesis of [¹⁸F]FDG using tetrabutylammonium bicarbonate, Synthetic Route of 17351-62-1, the publication is Applied Radiation and Isotopes (1995), 46(9), 887-91, database is CAplus.

The synthesis of [¹⁸F]FDG using tetrabutylammonium bicarbonate has been successfully modified to accommodate automation using the Optomux control system. Noteworthy changes to the methods previously reported are the addition of a small ion exchange column which serves to quant. trap [¹⁸F]fluoride from the target water and the extensive use of thermocouple and radiation detector feedback for process control. The radiochem. yields observed over 30 runs are: 50.3 ± 9% decay corrected and 34.6 ± 6% decay uncorrected.

Applied Radiation and Isotopes 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, Synthetic Route of 17351-62-1.

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