Catalysis-chemistry

Remili, Anais published the artcileValidation of quantitative fatty acid signature analysis for estimating the diet composition of free-ranging killer whales, Recommanded Product: Docosahexaenoic Acid, the publication is Scientific Reports (2022), 12(1), 7938, database is CAplus and MEDLINE.

Accurate diet estimates are necessary to assess trophic interactions and food web dynamics in ecosystems, particularly for apex predators like cetaceans, which can regulate entire food webs. Quant. fatty acid anal. (QFASA) has been used to estimate the diets of marine predators in the last decade but has yet to be implemented on free-ranging cetaceans, from which typically only biopsy samples containing outer blubber are available, due to a lack of empirically determined calibration coefficients (CCs) that account for fatty acid (FA) metabolism Here, we develop and validate QFASA for killer whales using full blubber from managed-care and free-ranging individuals. First, we compute full, inner, and outer blubber CCs from the FA signatures across the blubber layers of managed-care killer whales and their long-term diet items. We then run cross-validating simulations on the managed-care individuals to evaluate the accuracy of diet estimates by comparing full-depth and depth-specific estimates to true diets. Finally, we apply these approaches to subsistence-harvested killer whales from Greenland to test the utility of the method for free-ranging killer whales, particularly for the outer blubber. Accurate diet estimates for the managed-care killer whales were only achieved using killer whale-specific and blubber-layer-specific CCs. Modeled diets for the Greenlandic killer whales largely consisted of seals (75.9 ¡À 4.7%) and/or fish (20.4 ¡À 2.4%), mainly mackerel, which was consistent with stomach content data and limited literature on this population. Given the remote habitats and below surface feeding of most cetaceans, this newly developed cetacean-specific QFASA method, which can be applied to outer-layer biopsies, offers promise to provide a significant new understanding of diet dynamics of free-ranging odontocetes and perhaps other cetacean species throughout the world’s oceans.

Scientific Reports 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, Recommanded Product: Docosahexaenoic Acid.

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

Bailey, Philip S. published the artcileFurther studies with cis- and trans-¦Â-benzoyl-¦Á- and ¦Â-methylacrylic acids and ¦Â-benzoyl-¦Á-methylenepropionic acid, Related Products of catalysis-chemistry, the publication is Journal of Organic Chemistry (1956), 624-7, database is CAplus.

cf. C.A. 49, 235g. In the preparation of ¦Â-benzoyl-¦Á-methylenepropionic acid (I) by the Friedel-Crafts reaction between C₆H₆ and itaconic anhydride (II), an acid (III), isomeric with I and cis- (IV) and trans-¦Â-benzoyl-¦Á- (V) and ¦Â-methylacrylic acid (VI), is obtained. The structure of III has been elucidated. Condensation of 50 g. II and 80 cc. C₆H₆ in 250 cc. CS₂ in the presence of 170 g. AlCl₃ as described earlier, treatment of the reaction product 2 h. with boiling Ba(OH)₂ to hydrolyze I, and steam distillation and acidification of the mixture give 1-oxo-2-indanacetic acid (VII), m. 147-8¡ã (semicarbazone, m. 240-1¡ã; morpholinium salt, m. 124-5¡ã). Refluxing 0.2 g. VII 0.5 h. with 0.8 g. KMnO₄ and 0.2 cc. 10% NaOH in 16 cc. H₂O, acidifying the mixture with H₂SO₄, refluxing it another 0.5 h., dissolving the MnO₂ with NaHSO₃, and extracting with Et₂O give o-C₆H₄(CO₂H)₂. Adding (4 min.) 2 g. VI to 7.5 g. CrO₃ and 6.2 cc. concentrated H₂SO₄ in 75 cc. boiling H₂O, refluxing the mixture 2 min., extracting with Et₂O, extracting the washed Et₂O solution with dilute NaOH, and acidifying the alk. solution give 47% homophthalic acid, m. 174-6¡ã. Treating 5 g. I 24 h. in 30 cc. morpholine (VIII) and evaporating the solution to 15 cc. give 8.2 g. crystals, m. 100-4¡ã, from which, on extraction with 30 cc. warm Et₂O-EtOH (1:1), 2.2 g. ¦Â-benzoyl-¦Á-morpholino-isobutyric acid (IX), m. 118-19¡ã, is obtained (HCl salt, 87%, m. 210-12¡ã); from the insoluble residue 5.5 g. morpholine salt (X) of IX, m. 105-6¡ã, is isolated. Similar results are obtained with IV and V. Treating IX or X with dilute aqueous HCl gives 91% V, m. 109-10¡ã, which is also obtained when IX.HCl is refluxed 1-3 h. in H₂O. I is recovered unchanged after treatment with EtOH-HCl. Treating 5 g. I in 50 cc. Et₂O 10 min. with 10 cc. VIII gives 66% VIII salt (XI) of I, m. 77-8¡ã, which, on acidification with dilute HCl, gives 60% I, m. 150-4¡ã. Treating XI with an excess of VIII gives 80% IX. On standing, XI is slowly converted into 30% IX. Treating 1 g. VI in 10 cc. Et₂O 24 h. with 10 cc. VIII and cooling the mixture with ice gives 83% VIII salt (XII) of ¦Â-benzoyl-¦Á-morpholino-butyric acid (XIII), m. 138-9¡ã, which (6 g.) in 80 cc. H₂O adjusted with 5% HCl to pH 5 gives 94% XIII, m. 115-16¡ã. Treating XIII with an excess of VIII gives XII again. XIII of XII in dilute HCl remains stable for several hrs. but when the solution is heated 10-15 min. on a water bath 80-90% VI is formed. An attempt to convert XIII to a dibenzoylmorpholinopropane by a Friedel-Crafts reaction failed.

Journal of Organic Chemistry published new progress about 15732-75-9. 15732-75-9 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ketone, name is 2-Methylene-4-oxo-4-phenylbutanoic acid, and the molecular formula is C11H10O3, Related Products of catalysis-chemistry.

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

Zhang, Xing Xing published the artcileDiscovery of 4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)aniline derivatives as potent and orally active NLRP3 inflammasome inhibitors for colitis, Name: 2-Methylbenzoic acid, the publication is European Journal of Medicinal Chemistry (2022), 114357, database is CAplus and MEDLINE.

A series of pterostilbene derivatives I [R¹ = tert-Bu, Ph, 2-furyl, etc] were designed and synthesized based on previous SAR, leading to discovery of new effective NLRP3 inflammasome inhibitors with metabolic stability. Among them, the most effective compound I [R¹ = 2-furyl] showed high inhibitory efficacy (against IL-1 ¦Â: IC₅₀ = 1.23¦ÌM) and almost no toxicity (against IL-1 b: IC₅₀ > 100¦ÌM). Further mechanism studies have showed that compound I [R¹ = 2-furyl] directly targets the NLRP3 and affects the assembly of inflammasomes to inhibit the activation of NLRP3 inflammasomes. More importantly, in vitro experiments show that compound I [R¹ = 2-furyl] has a significant therapeutic effect on DSS-induced colitis in mice with good metabolic stability to liver microsomes (t_1/2 = 138.6 min). This research encourages the further development of more effective NLRP3 inflammasome inhibitors based on this chem. scaffold.

European Journal of Medicinal Chemistry 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 C21H37BO, Name: 2-Methylbenzoic acid.

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

Cartoni Mancinelli, Alice published the artcileLipid metabolism analysis in liver of different chicken genotypes and impact on nutritionally relevant polyunsaturated fatty acids of meat, Quality Control of 6217-54-5, the publication is Scientific Reports (2022), 12(1), 1888, database is CAplus and MEDLINE.

Humans and mammalian species are unable to synthesize significant amounts of polyunsaturated fatty acids (PUFA), which therefore must be introduced with the diet. In birds, lipogenesis takes place primarily in the liver, whereas adipose tissue serves as the storage site for triacylglycerols TG, composed by 80-85% esterified fatty acids. However, both the nature unsaturation level, n-3, or n-6 series and the allocation such as constituents of complexed lipids of PUFA are very important to evaluate their function in lipid metabolism The objective of the present investigation was to study the liver lipid metabolism, with particular attention to non-esterified fatty acids (NEFA), TG, phospholipids (PL), FADS2 gene expression, and ¦¤6-desaturase activity of three chicken genotypes, Leghorn (Leg), Ross 308 Ross, and their crossbreed (LxR), by LC/MS anal. The concentration of single fatty acids in muscle was quantified by GC-FID. The results showed that the Ross has a lipid metabolism related mainly to storage and structural roles, exhibiting higher levels of TG, phosphatidylethanolamine (PE) and phosphatidylcholine PC that are largely unsaturated Meanwhile Leg showed a relevant amount of n-3 NEFA characterized by a higher phosphatidylserine (PS) unsaturation level, FADS2 gene expression and enzyme activity. The LxR seem to have a moderate trend: n-6 and n-3 (NEFA) showed intermediate values compared with that of the Ross and Leg and the TG trend was similar to that of the Ross, while PE and PC were largely unsaturated mainly 6 and 7 UNS most of the metabolic energy for storage fatty acids in their tissues (TG) whereas, the Leg birds were characterized by different lipid metabolism showing in their liver a higher content of n-3 NEFA and higher unsaturation level in PS. Furthers details are needed to better attribute the lipid energy to the different metabolic portion.

Scientific Reports 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, Quality Control of 6217-54-5.

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

Tran, Thi-Nguyet published the artcileDual Cross-linking of Epoxidized Linseed Oil with Combined Aliphatic/Aromatic Diacids Containing Dynamic S-S Bonds Generating Recyclable Thermosets, SDS of cas: 119-80-2, the publication is ACS Applied Bio Materials (2020), 3(11), 7550-7561, database is CAplus and MEDLINE.

The end-of-life of thermoset materials is a real issue that confronts our society, and the strategy of introducing dynamic reversible bonds can be a sustainable solution to overcome this problem. This study shows an efficient way to produce biobased and recyclable thermosets, for a circular use. To reduce the production costs linked to energy and duration, an improved curing process is proposed by combining aromatic and aliphatic diacid hardeners containing dynamic S-S bonds. The work demonstrates the increased reactivity of epoxidized vegetable oil reacted with the two diacids. The structural evolutions during the exchange reactions that allow the recyclability were followed by Fourier transformed-IR and NMR spectroscopies, high-performance liquid chromatog., and mass spectroscopy. The curing process was studied by differential scanning calorimetry and kinetic study.

ACS Applied Bio Materials 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 C18H28B2O4, SDS of cas: 119-80-2.

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

Tran, Thi-Nguyet published the artcileChemical Reactivity and the Influence of Initiators on the Epoxidized Vegetable Oil/Dicarboxylic Acid System, SDS of cas: 119-80-2, the publication is Macromolecules (Washington, DC, United States) (2020), 53(7), 2526-2538, database is CAplus.

In a sustainable development context, epoxidized vegetable oils (EVO) have unlimited and promising future prospects as renewable and environmentally friendly feedstock. The only drawback to their use is their low and non-selective reactivity compared to the aromatic epoxides. Properly, a small optimized amount of “true” initiators can overcome this issue and also beneficially serve in properties such as glass transition, modulus, strength, elongation at break, and chem. resistance. This paper presents efforts to understand and identify the initiator’s effect to more accurately predict how to select a good initiator on EVO/dicarboxylic acid systems. A new bio-based reprocessable epoxy resin was prepared from epoxidized linseed oil (ELO) and 2,2′-dithiodibenzoic acid (DTBA). The evolution of the chem. structures and the reactions’ mechanisms were systematically studied by in situ Fourier transform IR (FT-IR) and NMR (NMR) spectroscopies and differential scanning calorimetry (DSC). A screening of 10 initiators was performed for the ELO/DTBA crosslinking reaction. The influence of the initiator’s structure, basicity, and nucleophilicity was assessed and ranked in terms of the kinetic response including the epoxy-acid reaction rate and the percentage of functional group consumption. An excellent effect achieved by imidazole as an initiator was demonstrated. An attempt has been proposed to corroborate the exptl. values with the results of quantum chem. calculations

Macromolecules (Washington, DC, United States) 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 C12H20O6, SDS of cas: 119-80-2.

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

Sen, Abhijit published the artcileSwitching from Biaryl Formation to Amidation with Convoluted Polymeric Nickel Catalysis, Computed Properties of 613-33-2, the publication is ACS Catalysis (2020), 10(24), 14410-14418, database is CAplus.

A stable, reusable, and insoluble poly(4-vinylpyridine) nickel catalyst (P4VP-NiCl₂) was prepared through the mol. convolution of poly(4-vinylpyridine) (P4VP) and nickel chloride. The authors proposed a coordination structure of the Ni center in the precatalyst based on elemental anal. and Ni K-edge XANES, and they confirmed that it is consistent with Ni K-edge EXAFS. The Suzuki-Miyaura-type coupling of aryl halides and arylboronic esters proceeded using P4VP-NiCl₂ (0.1 mol % Ni) to give the corresponding biaryl compounds in up to 94% yield. Surprisingly, when the same reaction of aryl halides and arylboronic acid/ester was carried out in the presence of amides, the amidation proceeded predominantly to give the corresponding arylamides in up to 99% yield. In contrast, the reaction of aryl halides and amides in the absence of arylboronic acid/ester did not proceed. P4VP-NiCl₂ successfully catalyzed the lactamization for preparing phenanthridinone. P4VP-NiCl₂ was reused five times without significant loss of catalytic activity. Pharmaceuticals, natural products, and biol. active compounds were synthesized efficiently using P4VP-NiCl₂ catalysis. Nickel contamination in the prepared pharmaceutical compounds was not detected by ICP-MS anal. The reaction was scaled to multigrams without any loss of chem. yield. Mechanistic studies for both the Suzuki-Miyaura and amidation reactions were performed.

ACS Catalysis published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C6H5F4NO3S, Computed Properties of 613-33-2.

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

Rana, Priyanka published the artcileSynthesis and Study of Some 17a-aza-D-homo Steroids as 5¦Á-Reductase Inhibitors, Related Products of catalysis-chemistry, the publication is Current Drug Discovery Technologies, database is CAplus and MEDLINE.

Tremendous advances have been made in the development of new pharmacotherapuetic agents and less invasive techniques to help men with lower urinary tract symptoms. The use of 5¦Á-reductase inhibitor (5-ARI) is restricted to the patients with large prostate volumes, whose symptoms are refractory to antiandrogens or ¦Á-adrenergic blockers. Out of the various synthesized 5-reductase inhibitors with different substituents on the steroidal nucleus, esters have been found to exhibit high anti-androgenic activity. In our attempt to find new, safer and potent 5-ARI and our continued interest in azasteorids, esters of 17a-Aza-D-homo-5-androsten-3¦Â-ol with synergistic effect were synthesized and characterized using different anal. techniques. The compounds were evaluated for their 5¦Á-reductase inhibitory activity in-vivo by their effect on serum androgen level by ELISA assay procedure. The interaction with receptors was studied using an advanced docking program to predict the correlation of the synthesized compounds with actual biol. activity. The target compounds (6-12) showed increased anti-androgenic activity as compared to finasteride and control, which imply that the target compounds are effective in inhibiting 5¦Á-reductase. Particularly, compound 6 showed the highest inhibitory activity and greater affinity for the 5- AR receptor with the highest dock score. The results of these studies when compared with Finasteride showed increased solubility and dissolution of target compound 6. Compound 6 showed immense potential with improved efficacy and better bioavailability, thus makes it a suitable candidate for further studies and optimal formulation.

Current Drug Discovery Technologies 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, Related Products of catalysis-chemistry.

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

Shukla, Rahul published the artcileUnderstanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3H-1,2-Benzodithiol-3-one and Selenium Analogs, Category: catalysis-chemistry, the publication is Crystal Growth & Design (2020), 20(12), 7704-7725, database is CAplus.

Mol. assembly and reactivity have been investigated with a series of 3H-1,2-benzodithiol-3-(thi)one derivatives and their (mixed) selenated analogs. Electrostatic potential calculations on monomers show three ¦Ò-hole regions around the dichalcogenide Ch-Ch bond (Ch = S, Se), one side-on and two along the bonding direction. The topol. anal. of the electron d. ¦Ñ(r) points to the weak nature of the Ch-Ch bond. ¦Ò-Hole and lone-pair regions are described in terms of charge depletion (CD) and charge concentration (CC) sites found in the valence shell of chalcogen atoms. Whereas CD and CC sites are characterized by the topol. critical points of L(r) = -?²¦Ñ(r), their electrophilic and nucleophilic powers are measured by the corresponding L/¦Ñ magnitudes. In crystal structures, each chalcogen bond (ChB) involves a ¦Ò-hole region and shows a CD¡¤¡¤¡¤CC interaction that aligns with the internuclear direction of the atoms the CD and CC sites belong. The alignment holds simultaneously for all of the ChB interactions in each crystal structure, indicating that CD¡¤¡¤¡¤CC interactions drive mol. orientation in mol. assembly. Strength of ChB is measured in terms of the topol. properties of ¦Ñ(r), whereas the intensity of the electrophilic¡¤¡¤¡¤nucleophilic interaction is monitored by [(L/¦Ñ)_CC – (L/¦Ñ)_CD]/d_{CC¡¤¡¤¡¤CD}². The ¦Ò-hole in side-on conformation forms the strongest ChB interactions in mol. assembly. Reactivity of mols. against nucleophilic attack has been investigated along each of the three ¦Ò-hole regions by using fluoride as a probe. Adducts formed along the Ch-Ch bonding direction are energetically more favorable than in side-on conformation. At optimized geometries, the F¡¤¡¤¡¤Ch bond (Ch = S, Se) exhibits a partial covalent character, while it weakens concomitantly the Ch¡¤¡¤¡¤Ch bond that also becomes of partial covalent character. In the reactivity process, the significant reorientation of the plane containing the chalcogen lone pairs, along with the opening, shrinking, and splitting of reactivity surfaces ?²¦Ñ(r) = 0, is the signature of the charge redistribution that involves the nucleophilic attack. The mol. assembly and reactivity around Ch-Ch bonds (Ch = S, Se) in dichalcogenide mols. are explored.

Crystal Growth & Design 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 C15H12O6, Category: catalysis-chemistry.

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

Agasti, Soumitra published the artcileTraceless directing group mediated branched selective alkenylation of unbiased arenes, Related Products of catalysis-chemistry, the publication is Chemical Communications (Cambridge, United Kingdom) (2016), 52(82), 12191-12194, database is CAplus and MEDLINE.

Synthesis of branched olefinated products RR¹C=CHR² [R = C₆H₅, 2-H₃CC₆H₄, 2,4,6-(CH₃)₃C₆H₂, etc.; R¹ = 4-ClC₆H₄, naphthalen-1-yl, 2H-1,3-benzodioxol-5-yl, etc.; R² = H, CN, C₆H₅], catalyzed via palladium, facilitated by a C-H activation has been reported. This involves selective insertion of olefins R¹CH=C(R²)C(O)OH and subsequent decarboxylation using a completely unbiased benzene ring as the starting precursor. The significance of the protocol has been further highlighted by exhibition of functionality tolerance along with a late-stage modification of the branched olefinated products leading to the formation of other functionalized mols.

Chemical Communications (Cambridge, United Kingdom) 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, Related Products of catalysis-chemistry.

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