Month: November 2022

Burcu Guerdere, Meliha published the artcileSynthesis, Antiproliferative and Cytotoxic Activities, DNA Binding Features and Molecular Docking Study of Novel Enamine Derivatives, Category: esters-buliding-blocks, the publication is Chemistry & Biodiversity (2020), 17(7), e2000139, database is CAplus and MEDLINE.

Novel enamine derivatives were synthesized from the reaction of lactone and chalcones and their antiproliferative and cytotoxic activities against six cancer cell lines (e. g., HeLa, HT29, A549, MCF7, PC3 and Hep3B) and one normal cell lines (e. g., FL) were investigated along with their mode of interactions with CT-DNA. Most of the enamine derivatives with IC50 values of 86-168 μM demonstrated much stronger antiproliferative activity than the starting mols. against the cancer cells. While, among the enamine derivatives, four compounds displayed higher cytotoxic potency than the control drugs (5-fluorouracil and cisplatin) against the Hep3B cell lines, these compounds did not exhibit any significant toxicity against normal cells, FL. The UV/VIS spectral data suggest that eight compounds cause hypochromism with a slight bathochromic shift (∼6 nm), indicating that they bind to the DNA by way of an intercalative or minor groove binding mode. The binding constants of the compounds are in the range of 0.1×103 M^-1-2.3×104 M^-1. The antiproliferative activity of studied enamine derivatives could possibly be due to their DNA binding as well as their cytotoxic properties. In addition to these assays, the chalcones and enamine derivatives were investigated by mol. docking to calculate the synergistic effect of antiproliferative activities against six human cancer cell lines.

Chemistry & Biodiversity published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Jakimovski, Dejan published the artcileMultiple Sclerosis in Children: Differential Diagnosis, Prognosis, and Disease-Modifying Treatment, Application In Synthesis of 624-49-7, the publication is CNS Drugs (2022), 36(1), 45-59, database is CAplus and MEDLINE.

A review. Pediatric-onset multiple sclerosis (POMS) is a rare neuroinflammatory and neurodegenerative disease that has a significant impact on long-term phys. and cognitive patient outcomes. A small percentage of multiple sclerosis (MS) diagnoses occur before the age of 18 years. Before treatment initiation, a careful differential diagnosis and exclusion of other similar acquired demyelinating syndromes such as anti-aquaporin-4-associated neuromyelitis optica spectrum disorder (AQP4-NMOSD) and myelin oligodendrocyte glycoprotein antibody spectrum disorder (MOGSD) is warranted. The recent 2017 changes to the McDonald criteria can successfully predict up to 71% of MS diagnoses and have good specificity of 95% and sensitivity of 71%. Addnl. measures such as the presence of T1-weighted hypointense lesions and/or contrast-enhancing lesions significantly increase the accuracy of diagnosis. In adults, early use of disease-modifying therapies (DMTs) is instrumental to a better long-term prognosis, including lower rates of relapse and disability worsening, and numerous FDA-approved therapies for adult-onset MS are available. However, unlike their adult counterparts, the development, testing, and regulatory approval of POMS treatments have been significantly slower and hindered by logistic and/or ethical considerations. Currently, only two MS DMTs (fingolimod and teriflunomide) have been tested in large phase III trials and approved by regulatory agencies for use in POMS. First-line therapies not approved by the FDA for use in children (interferon-β and glatiramer acetate) are also commonly used and result in a significant reduction in inflammatory activity when compared with non-treated POMS patients. An increasing number of POMS patients are now treated with moderate efficacy therapies such as di-Me fumarate and high-efficacy therapies such as natalizumab, anti-CD20 monoclonal antibodies, anti-CD52 monoclonal antibodies, and/or autologous hematopoietic stem cell transplantation. These high-efficacy DMTs generally provide addnl. reduction in inflammatory activity when compared with the first-line medications (up to 62% of relapse-rate reduction). Therefore, a number of phase II and III trials are currently investigating their efficacy and safety in POMS patients. In this review, we discuss potential changes in the regulatory approval process for POMS patients that are recommended for DMTs already approved for the adult MS population, including smaller sample size for pharmacokinetic/pharmacodynamic studies, MRI-centered primary outcomes, and/or inclusion of teenagers in the adult trials.

CNS Drugs published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, Application In Synthesis of 624-49-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Altinel, H. published the artcileNew perfluorinated rhodium-BINAP catalysts and hydrogenation of styrene in supercritical CO₂, Category: esters-buliding-blocks, the publication is Journal of Supercritical Fluids (2009), 51(2), 202-208, database is CAplus.

New perfluorinated BINAP ligands and their cationic rhodium complexes have been synthesized and characterized. The catalysts have been tested in homogeneous hydrogenation of the styrene in both methanol and supercritical carbon dioxide (scCO₂). The selective hydrogenations of the styrene in scCO₂ were carried out under the same reaction conditions of 343.15 K temperature and 120 bar CO₂ pressure after 3 h (molar ratio of substrate to catalyst = 500). While all catalysts showed 100% conversion in methanol, same activity was not carried out in scCO₂. (R)-6,6′-diperflorooctyl-2,2′-bis(diphenylphosphino)-1,1′-binaphtyl-[Rh(COD)]BAr F was showed the highest conversion (96.4%) in scCO₂. Furthermore, methanol was used as co-solvent in the supercritical media in hydrogenation of styrene for the perfluorinated catalysts, which were inactive in scCO₂. Addition of methanol in scCO₂ has rather increased the conversion.

Journal of Supercritical Fluids published new progress about 126613-06-7. 126613-06-7 belongs to esters-buliding-blocks, auxiliary class Chiral Diphenols, name is (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate), and the molecular formula is C22H12F6O6S2, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Zanghì, Aurora published the artcileReal world comparison of teriflunomide and dimethyl fumarate in naïve relapsing multiple sclerosis patients: Evidence from the Italian MS register., COA of Formula: C6H8O4, the publication is Multiple sclerosis and related disorders (2022), 103489, database is MEDLINE.

BACKGROUND: Teriflunomide (TERI) and dimethyl fumarate (DMF) are licensed as first-line disease-modifying treatments (DMTs) for relapsing remitting Multiple Sclerosis (RRMS) and are largely replacing injectable DMTs. METHODS: All RRMS patients starting TERI or DMF between January 1, 2013, and December 31, 2017, were included in the analysis. Time to first relapse, time to confirmed disability progression (CDP), and time to DMT discontinuation have been investigated. Propensity score with inverse probability treatment weighting (IPTW-PS) was used to adjust comparisons for baseline confounders. The aim of the study was to compare the effectiveness, and rate of discontinuation of TERI and DMF as first therapeutic choice in the Italian MS register. RESULTS: A total of 683 patients were considered for the analyses, 185 on TERI and 498 on DMF. Patients on TERI had higher number of relapses (2.3 ± 1.4 vs 1.9 ± 1.1, p=.033) and higher baseline disability level assessed by Expanded Disability Status Scale (EDSS) (2.0, interquartile range-IQR 1.0-3.0 vs 1.5, IQR 1.0-2.0, p=.013). IPTW adjusted Cox models did not reveal any difference between the investigated DMTs for the investigated outcomes. CONCLUSIONS: TERI and DMF have similar effectiveness and rate of discontinuation when employed as first therapeutic choice in RRMS patients.

Multiple sclerosis and related disorders published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C14H12O2, COA of Formula: C6H8O4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Bohre, Ashish published the artcileSingle-Step Production of Bio-Based Methyl Methacrylate from Biomass-Derived Organic Acids Using Solid Catalyst Material for Cascade Decarboxylation-Esterification Reactions, Application In Synthesis of 617-52-7, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(7), 2902-2911, database is CAplus.

This study shows the direct chem. conversion of a widely available carbohydrate-derived itaconic acid/methanol into the Me methacrylate (MMA) ester via cascade decarboxylation/esterification reactions has been accomplished as a first-time occurrence over solid catalysts. The state-of-the-art Pt/Al₂O₃ catalytic processing displayed an optimum MMA compound selectivity (38.2 mol %) in the presence of an aqueous solution mixture with an alk. base substance. To eliminate issues associated with the utilization of precious-metal materials, corrosive water-dissolved hydroxides, and deactivation, hexaaluminate was introduced for active stable decomposition in the production of MMA. Since defined acidic/basic sites are necessary to promote intermediates, barium hexaaluminate, calcium hexaaluminate and lanthanum hexaaluminate were prepared by tuning their phys. properties. To shed light on reactivity, the catalysts were characterized by extensive microscopic and spectroscopic techniques. Barium hexaaluminate (BHA) was found to have the highest turnover frequency (TOF) among all tested values. Detailed exptl./structural investigations indicated that a medium-strength Bronsted/weak Lewis boundary along with peculiar layered structure, surface defects, and characteristic area are strongly correlated with the activity/stability of BHA. A plausible elementary mechanism for this step transformation was also hypothesized, detailing protonated surface-bonded reactive precursor species.

ACS Sustainable Chemistry & Engineering published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Application In Synthesis of 617-52-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Pospelova, Violetta published the artcileTowards efficient Cu/ZnO catalysts for ester hydrogenolysis: The role of synthesis method, Category: esters-buliding-blocks, the publication is Applied Catalysis, A: General (2021), 118320, database is CAplus.

Cu/ZnO catalysts represent an environmentally friendly alternative to Adkins catalysts used for ester hydrogenolysis. Cu/ZnO are mostly synthesized by co-precipitation (COP); however, other synthesis methods may help to obtain small highly dispersed Cu crystallites advantageous for catalyst activity. A comparative study on the effect of synthesis method on Cu/ZnO catalysts properties and activity is missing. Thus, the authors synthesized 8% Cu/ZnO catalysts by 5 methods (COP, deposition-precipitation (DP), chemisorption-hydrolysis (CH), incipient wetness (IWI) and wet impregnation (WI)), characterized and tested them in di-Me adipate hydrogenolysis. The CH-prepared catalyst was prone to Cu sintering, which impaired its performance. IWI led to large Cu nanoparticles, pore blocking and poor catalytic performance. COP and DP resulted in the smallest Cu nanoparticles (13-14 nm), largest Cu surface area (3.9-4.2 m² g^-1_cat) and sp. surface area (40-43 m² g^-1_cat) reflected in their superior catalytic activity making DP a good alternative to COP to prepare active Cu/ZnO catalysts.

Applied Catalysis, A: General published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Pospelova, Violetta published the artcileDoes the structure of CuZn hydroxycarbonate precursors affect the intrinsic hydrogenolysis activity of CuZn catalysts?, Category: esters-buliding-blocks, the publication is Catalysis Science & Technology (2020), 10(10), 3303-3314, database is CAplus.

A comparative study of the properties and hydrogenolysis activity of catalysts derived from single-phase CuZn precursors was carried out to elucidate the effect of the precursor structure on the catalyst activity in hydrogenolysis and to examine their potential to replace the classical CuCr catalysts. Three CuZn catalysts were prepared by co-precipitation aiming at Cu/Zn ratios of 0.7, 5.0 and 1.6 to obtain single-phase aurichalcite, zincian malachite and a mixture of both phases, resp. The catalyst precursors were calcined at temperatures of 300 and 450°, reduced in situ and tested in di-Me adipate hydrogenolysis. The properties of the precursors and catalysts were analyzed using in situ XRD, TGA-MS, TPR-H₂, N physisorption and N₂O chemisorption methods. Data, aurichalcite-derived catalysts had superior structural properties to zincian malachite-derived catalysts: smaller Cu crystallites, larger total and Cu surface areas, and stable surface areas during the experiment Consequently, aurichalcite-derived catalysts outperformed catalysts prepared from zincian malachite in the studied range of phase and elemental CuZn compositions The calculated intrinsic hydrogenolysis activity of surface Cu sites (TOF) was similar for all 3 catalysts.

Catalysis Science & Technology published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kikhtyanin, Oleg published the artcileOn the origin of the transesterification reaction route during dimethyl adipate hydrogenolysis, COA of Formula: C8H14O4, the publication is Applied Catalysis, A: General (2020), 117825, database is CAplus.

Esters hydrogenolysis over CuZn catalysts was shown to be accompanied by transesterification lowering the yield of the desired alc. Here we investigate the origin of the transesterification activity by studying Cu, Zn and CuZn based catalysts in transesterification of di-Me adipate (DMA) with hexane-1,6-diol (HDO). The experiments were performed at conditions relevant for hydrogenolysis, i.e. 210°C and 10-70 bar of either N₂ or H₂ atmosphere. Although transterification was found to be catalyzed by acid impurities present in DMA, the main formation of the transesterification products was due to the ZnO phase in the studied catalysts. In contrast, Cu or CuO phase were virtually inactive in transesterification. Moreover, it was shown that the reduced Cu-ZnO catalyst was stable under reaction conditions, whereas its oxide form CuO-ZnO underwent leaching. The obtained catalytic data also evidenced that the transesterification products were important reaction intermediates in the formation of HDO.

Applied Catalysis, A: General published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, COA of Formula: C8H14O4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Bestmann, Hans Juergen published the artcile(Z)-9-Dodecenyl acetate, a component of the sex pheromone of Cnephasia longana Haworth (Lepidoptera: Tortricidae), Computed Properties of 16974-11-1, the publication is Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1985), 40C(9-10), 667-9, database is CAplus.

(Z)-9-Dodecenyl acetate is a component of the sex pheromone of female C. longana moths as determined by gas chromatog (GC)-, GC-mass spectrometry anal. of gland extracts, and GC anal. with electroantennogram detection. (E)-9-Dodecenyl acetate acted as a pheromone inhibitor, as shown by field trials.

Zeitschrift fuer Naturforschung, C: Journal of Biosciences published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C14H26O2, Computed Properties of 16974-11-1.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Alhenaki, Aasem M. published the artcileDentin bond integrity of filled and unfilled resin adhesive enhanced with silica nanoparticles-an SEM, EDX, micro-Raman, FTIR and Micro-tensile bond strength study, Application of Ethyl 4-dimethylaminobenzoate, the publication is Polymers (Basel, Switzerland) (2021), 13(7), 1093, database is CAplus and MEDLINE.

The objective of this study was to synthesize and assess unfilled and filled (silica nanoparticles) dentin adhesive polymer. Methods encompassing SEM (SEM)-namely, energy dispersive X-ray spectroscopy (EDX), micro-tensile bond strength (μTBS) test, Fourier transform IR (FTIR), and micro-Raman spectroscopy-were utilized to investigate Si particles’ shape and incorporation, dentin bond toughness, degree of conversion (DC), and adhesive-dentin interaction. The Si particles were incorporated in the exptl. adhesive (EA) at 0, 5, 10, and 15 weight% to yield Si-EA-0% (neg. control group), Si-EA-5%, Si-EA-10%, and Si-EA-15% groups, resp. Teeth were set to form bonded samples using adhesives in four groups for μTBS testing, with and without aging. Si particles were spherical shaped and resin tags having standard penetrations were detected on SEM micrographs. The EDX anal. confirmed the occurrence of Si in the adhesive groups (maximum in the Si-EA-15% group). Micro-Raman spectroscopy revealed the presence of characteristic peaks at 638, 802, and 1300 cm^-1 for the Si particles. The μTBS test revealed the highest mean values for Si-EA-15% followed by Si-EA-10%. The greatest DC was appreciated for the control group trailed by the Si-EA-5% group. The addition of Si particles of 15 and 10 weight% in dentin adhesive showed improved bond strength. The addition of 15 weight% resulted in a bond strength that was superior to all other groups. The Si-EA-15% group demonstrated acceptable DC, suitable dentin interaction, and resin tag formation.

Polymers (Basel, Switzerland) published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Application of Ethyl 4-dimethylaminobenzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics