Month: December 2022

Kimberley, Louis published the artcileThe Origin of Catalytic Benzylic C-H Oxidation over a Redox-Active Metal-Organic Framework, SDS of cas: 457-68-1, the publication is Angewandte Chemie, International Edition (2021), 60(28), 15243-15247, database is CAplus and MEDLINE.

Selective oxidation of benzylic C-H compounds to ketones is important for the production of a wide range of fine chems., and is often achieved using toxic or precious metal catalysts. Herein, we report the efficient oxidation of benzylic C-H groups in a broad range of substrates under mild conditions over a robust metal-organic framework material, MFM-170, incorporating redox-active [Cu₂^II(O₂CR)₄] paddlewheel nodes. A comprehensive investigation employing ESR (EPR) spectroscopy and synchrotron X-ray diffraction has identified the critical role of the paddlewheel moiety in activating the oxidant ^tBuOOH (tert-Bu hydroperoxide) via partial reduction to [Cu^IICu^I(O₂CR)₄] species.

Angewandte Chemie, International Edition 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 C13H10F2, SDS of cas: 457-68-1.

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

Kulkarni, Anand R. published the artcileDevelopment of a sensor for thiosalicylic acid at MWCNT modified gold, Name: 2,2′-Dithiodibenzoic acid, the publication is Materials Today: Proceedings (2019), 18(Part_3), 723-730, database is CAplus.

Development of nano level based sensor for the electrochem. performance of thiosalicylic acid by fabrication of multiwalled carbon nanotubes on glassy carbon electrode was made. Employing cyclic voltammetry and square wave voltammetry techniques in pH 4.2 phosphate buffer solution, parameters effect was estimated by varying pH, accumulation time, scan rate, excipients, and analyte concentration Number of electrons, protons involved in the reactions and also heterogeneous rate constant value was determined The proposed sensor was applied for the determination of analyte in pharmaceutical and human urine samples. The linear response was obtained in the concentration range studied with lower quantification limit value. Reaction mechanism for electrochem. oxidation of thiosalicylic acid was proposed. The modified sensor showed an excellent sensitivity, reproducibility, repeatability etc.

Materials Today: Proceedings 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 C14H10O4S2, Name: 2,2′-Dithiodibenzoic acid.

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

Dourbash, Fakhraddin Akbari published the artcileReduction of non-specific adsorption in label-free assays via reversible surface blocking with amphiphilic sugars, Computed Properties of 13822-56-5, the publication is Sensors and Actuators, B: Chemical (2022), 131657, database is CAplus.

We report a strategy to block non-specific binding of proteins in a label-free immunoassay using n-Dodecyl ¦Â–maltoside, an amphiphilic sugar that can be reversibly adsorbed on hydrophobic surfaces. Both the anti-fouling properties and reversibility of the blocker are documented using surface sensitive reflective interferometry. Reversible blocking is a potentially important approach to improving label-free assay technol. Because it enables the use of simple hydrophilic coatings, non-covalent probe binding chem. is sufficient and greatly simplifies surface preparation Specific detection of < 10 pg/mm2 antibody or antigen targets in the presence of a large excess of bovine serum albumin interferent is demonstrated.

Sensors and Actuators, B: Chemical 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

Subramanyam, N. C. published the artcileThiourea and substituted thioureas as corrosion inhibitors for aluminum in sodium nitrite solution, Name: 1,1-Dimethylthiourea, the publication is Corrosion Science (1993), 34(4), 563-71, database is CAplus.

The effect of sulfur-containing organic compounds such as thiourea (TU), Ph thiourea (PTU), di-Ph thiourea (DPTU), allyl thiourea (ATU), p-tolyl thiourea (p-TTU) and N,N-di-Me thiourea (DMTU) on the corrosion of aluminum in sodium nitrite solution at 303 K was investigated using weight loss and polarization techniques. A significant decrease in the corrosion rate of aluminum was observed by the presence of traces of these compounds The corrosion rate was a function of the nature, concentration of the inhibitor, and temperature of the medium. The degree of surface coverage calculated from the results was used to evaluate the free energy of adsorption of the inhibitors. All the inhibitors follow the Frumkin adsorption isotherm. The mechanism of inhibitor action has been discussed on the basis of adsorption and mol. polarizability of the inhibitor. These compounds act as cathodic inhibitors. The neg. values of free energy of adsorption and high degree of protection also confirm the strong interaction of these compounds on the corroding aluminum surface.

Corrosion Science published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C17H29BO2, Name: 1,1-Dimethylthiourea.

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

Rotti, P. B. published the artcileEffect of thiourea and substituted thioureas on electrocrystallization of copper, Formula: C3H8N2S, the publication is Bulletin of Electrochemistry (1987), 3(4), 305-11, database is CAplus.

The presence of traces of thiourea (TU), N,N-dimethylthiourea (DMTU) and phenylthiourea (PTU) in highly purified acid CuSO₄ bath affects the morphol. of Cu electrodeposits and the cathodic polarization on Cu single crystal (100), (110) and (111) planes, in a range of c.d. 2-20 mA/cm². At low c.d. on (100) plane these addition agents bring about a transition from layer type of deposit to ridge type and to pyramidal type of deposit which finally transformed to polycrystalline At high c.ds., layers, truncated pyramids and blocks obtained in pure solution transformed to ridges and pyramidal type which got transformed to polycrystalline deposit. The cathodic overpotentials in the presence of these addition agents were always lower compared to those observed in pure acid CuSO₄ bath, but the trend in the variation of overpotential with time remained the same. The morphol. and overpotential changes observed during electroplating of Cu depend on the concentration of addition agents and the c.d. The cathodic Tafel slope of 120 + 5 mV obtained in pure bath changed slightly in the presence of these addition agents.

Bulletin of Electrochemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Formula: C3H8N2S.

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

Shahnawaz, Nehala published the artcilePickering emulsions for the polymerization of ¦Å-caprolactone in continuous flow process, Computed Properties of 13822-56-5, the publication is Colloids and Surfaces, A: Physicochemical and Engineering Aspects (2022), 128715, database is CAplus.

Using the potential of compartmenting free enzyme in dispersion phase of Pickering emulsion, a simple continuous flow system for free enzyme catalytic cycle-opening polymerization of ¦Å-caprolactone has been studied. In order to generate suitable and stable Pickering emulsions, silica nanoparticles(SiNPs) modified with octyltrimethoxysilane (OTMS) and aminopropyltrimethoxysilane (APTMS) are synthesized, and the modification is confirmed by Fourier transformed IR (FTIR) spectroscopy and water contact angle (CA). It is found that CA values of modified SiNPs increased from 107¡ã to 168¡ã with the increase of ratio of OTMS to APTMS from 1:1 to 8:1, which indicates that wettability of SiNPs has been changed from original hydrophilic to hydrophobic and consequent has an effect on the properties of Pickering emulsions. Among the modified SiNPs, the silica modified with OTMS: APTM (2:1) can construct stable W(water)/O(toluene) Pickering emulsion, confirmed by images from confocal laser microscope. The stable Pickering emulsion comprising of Candida Antarctica lipase B dispersed in water droplets is selected as a model for investigation of conditions for ring-opening polymerization of ¦Å-caprolactone. The high monomer conversion is achieved with amount of emulsifier and enzyme being used 5 wt% and 3 wt%, resp., and flow rate 3 mL h-1in continuous flow process, which is higher than that in batch reaction system although the formula of Pickering emulsion is identical. Specially, the polycaprolactone (PCL) with an average mol. weight of 210151 g/mol, as per gel permeation chromatog. (GPC) anal., is achieved. The catalytic efficiency of enzyme for polymerization is not changed even after several cycles of use. The present enzyme immobilization within Pickering emulsion offers a green and prospective approach for synthesis of high mol. weight polymer in continuous flow process.

Colloids and Surfaces, A: Physicochemical and Engineering Aspects 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 C26H26N4O7, Computed Properties of 13822-56-5.

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

Ye, Chen-Xi published the artcileStereocontrolled 1,3-nitrogen migration to access chiral ¦Á-amino acids, COA of Formula: C8H7NO4, the publication is Nature Chemistry (2022), 14(5), 566-573, database is CAplus and MEDLINE.

Here a protocol for the economical and practical synthesis of optically active ¦Á-amino acids RNHC(R¹)(R²)C(O)OH (R = Ts, Ms, C(O)OMe, (2,2,2-trichloroethoxy)carbonyl; R¹ = H, Me; R² = pent-2-yn-1-yl, 4-methylphenyl, 2H-1,3-benzodioxol-5-yl, etc.) based on an unprecedented stereocontrolled 1,3-nitrogen shift was reported. The method employs abundant and easily accessible carboxylic acids R¹CH(R²)C(O)OH as starting materials, which are first connected to a nitrogenation reagent, followed by a highly regio- and enantioselective ruthenium- or iron-catalyzed C(sp³)-H amination. This straightforward method displays a very broad scope, providing rapid access to optically active ¦Á-amino acids with aryl, allyl, propargyl and alkyl side chains, and also permits stereocontrolled late-stage amination of carboxylic-acid-containing drugs and natural products.

Nature Chemistry 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 C14H21BO2, COA of Formula: C8H7NO4.

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

Chen, Ting published the artcileThe synthesis and herbicidal evaluation of fluorine-containing phenoxyacetoxyalkylphosphonate derivatives, SDS of cas: 163839-73-4, the publication is Phosphorus, Sulfur and Silicon and the Related Elements (2006), 181(9), 2135-2145, database is CAplus.

To investigate the influence of a fluorine moiety on the biol. activity of phenoxyacetoxyalkylphosphonates, e.g., 2-Cl,4-FC₆H₃OCH₂CO₂CHMeP(O)(OMe)₂ (I), a series of fluorine-containing phenoxyacetoxyalkylphosphonates were synthesized and screened for herbicidal activity in a greenhouse. The majority of the title compounds showed better preemergence activity than postemergence activity against the test plants, especially on monocotyledon. Compound I exhibited notable activity. Results showed that by introducing a fluorine moiety to the parent structure of phenoxyacetoxyalkylphosphonates, a series of new compounds with satisfactory herbicidal activity could be synthesized. A reasonable combination of a fluorine moiety and other substituents on the benzene ring had a great influence on the herbicidal activity.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about 163839-73-4. 163839-73-4 belongs to catalysis-chemistry, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Ether, name is 2-(4-(Trifluoromethyl)phenoxy)acetic acid, and the molecular formula is C9H7F3O3, SDS of cas: 163839-73-4.

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

Su, Bo-Han published the artcileIn Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage, COA of Formula: C13H10F2, the publication is Journal of Chemical Information and Modeling (2010), 50(7), 1304-1318, database is CAplus and MEDLINE.

Blockage of the human ether-a-go-go related gene (hERG) potassium ion channel is a major factor related to cardiotoxicity. Hence, drugs binding to this channel have become an important biol. end point in side effects screening. A set of 250 structurally diverse compounds screened for hERG activity from the literature was assembled using a set of reliability filters. This data set was used to construct a set of two-state hERG QSAR models. The descriptor pool used to construct the models consisted of 4D-fingerprints generated from the thermodn. distribution of conformer states available to a mol., 204 traditional 2D descriptors and 76 3D VolSurf-like descriptors computed using the Mol. Operating Environment (MOE) software. One model is a continuous partial least-squares (PLS) QSAR hERG binding model. Another related model is an optimized binary classification QSAR model that classifies compounds as active or inactive. This binary model achieves 91% accuracy over a large range of mol. diversity spanning the training set. Two external test sets were constructed. One test set is the condensed PubChem bioassay database containing 876 compounds, and the other test set consists of 106 addnl. compounds found in the literature. Both of the test sets were used to validate the binary QSAR model. The binary QSAR model permits a structural interpretation of possible sources for hERG activity. In particular, the presence of a polar neg. group at a distance of 6-8 ? from a hydrogen bond donor in a compound is predicted to be a quite structure-specific pharmacophore that increases hERG blockage. Since a data set of high chem. diversity was used to construct the binary model, it is applicable for performing general virtual hERG screening.

Journal of Chemical Information and Modeling 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 C9H8BNO2, COA of Formula: C13H10F2.

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

Chen, Qian published the artcileCyclization or Hydrogen Migration: Theoretical Study and Experimental Evidence on the Reactivities of Unsaturated Amidyl Radicals, Recommanded Product: N-(tert-Butyl)-S-phenylthiohydroxylamine, the publication is Organic Letters (2005), 7(8), 1625-1627, database is CAplus and MEDLINE.

Theor. calculations (B3LYP/6-31G^*) backed up by deuterated experiments reveal that the N-substituents (R) play a crucial role in determining the reaction pathways of unsaturated amidyl radicals. With the increase of the bulkiness of N-alkyl group, the activation energy for 6-exo cyclization increases steadily, while the activation energy for 1,5-H abstraction remains almost unchanged. Therefore, cyclization occurs exclusively when R is H while 1,5-H migration occurs exclusively when R is t-Bu.

Organic Letters published new progress about 19117-31-8. 19117-31-8 belongs to catalysis-chemistry, auxiliary class Oxidant, name is N-(tert-Butyl)-S-phenylthiohydroxylamine, and the molecular formula is C10H15NS, Recommanded Product: N-(tert-Butyl)-S-phenylthiohydroxylamine.

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