Category: 111-87-5

Stefanucci, Azzurra published the artcileIn Silico Identification of Tripeptides as Lead Compounds for the Design of KOR Ligands, SDS of cas: 111-87-5, the main research area is KOR ligand design tripeptide compound identification; antinociceptive effect; binding; k-opioid receptor; molecular modelling; peptides.

The kappa opioid receptor (KOR) represents an attractive target for the development of drugs as potential antidepressants, anxiolytics and analgesics. A robust computational approach may guarantee a reduction in costs in the initial stages of drug discovery, novelty and accurate results. In this work, a virtual screening workflow of a library consisting of � million mols. was set up, with the aim to find potential lead compounds that could manifest activity on the KOR. This in silico study provides a significant contribution in the identification of compounds capable of interacting with a specific mol. target. The main computational techniques adopted in this exptl. work include: (i) virtual screening; (ii) drug design and leads optimization; (iii) mol. dynamics. The best hits are tripeptides prepared via solution phase peptide synthesis. These were tested in vivo, revealing a good antinociceptive effect after s.c. administration. However, further work is due to delineate their full pharmacol. profile, in order to verify the features predicted by the in silico outcomes.

Molecules published new progress about Analgesics. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Aghaei, Hamidreza published the artcileUse of H3PO4/ZrO2-TiO2-surfactant mixed oxide for catalytic vapor-phase dehydration of 1-octanol, SDS of cas: 111-87-5, the main research area is octanol phosphoric acid zirconium titanium dioxide surfactant dehydration catalyst.

Catalytic dehydration of 1-octanol over H3PO4/ZrO2-TiO2-surfactant (H3PO4/ZTS) mixed oxides at 350°C for production of 1-octene was investigated. ZrO2-TiO2 (ZT) with Zr:Ti molar ratio = 1:1 was prepared with and without cetylpyridinium bromide surfactant and modified by different concentration of H3PO4. These catalysts were characterized by several methods such as XRD, BET, pyridine adsorption, and NH3-TPD. The prepared catalysts with surfactant showed better selectivity and activity than the prepared catalysts without surfactant for 1-octene synthesis. Maximum selectivity to 1-octene in 1-octanol dehydration was attained over 15 weight% H3PO4/ZTS, while maximum conversion of 1-octanol with lower selectivity to 1-octene was achieved over 35 weight% H3PO4/ZTS. At 350°C and with WHSV 1.978 h-1, the maximum conversion of 1-octanol over 15 weight% H3PO4/ZTS was 68.8%, with 48.3% selectivity to 1-octene.

Reaction Kinetics, Mechanisms and Catalysis published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lee, Cheng Hao published the artcileEffect of reverse micelle-encapsulated reactive dyes agglomeration in dyeing properties of cotton, Application of n-Octanol, the main research area is reverse micelle encapsulated reactive dye agglomeration dyeing cotton.

Reverse micelles using nonionic poly(ethyleneglycol) (PEG)-based surfactant as building block were introduced to encapsulate reactive dye for cotton dyeing. The morphol. transition of reactive dyes from well-dispersive spherical form into highly agglomerated form via various surfactant-to-co-surfactant molar ratios and surfactant-to-water molar ratios have been preliminary investigated. The dyeing properties of cotton has been analyzed in terms of dispersion of reverse micelle structure from transmission electron microscopy, identification of chem. signatures of dye-cotton interaction from Raman spectroscopy, color strength and relative levelness. The reverse micellar structures under both highly dispersed and agglomerated forms are in good agreement with color strength and levelness data. The optimization of surfactant conditions can be considered as major parameters for investigating the quality of cotton dyeing including color strength and leveling conditions.

Dyes and Pigments published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bergfreund, Jotam published the artcileSurfactant Adsorption to Different Fluid Interfaces, Category: alcohols-buliding-blocks, the main research area is surfactant adsorption fluid interface.

Surfactant adsorption to fluid interfaces is ubiquitous in biol. systems, industrial applications, and scientific fields. Herein, we unravel the impact of the hydrophobic phase (air and oil) and the role of oil polarity on the adsorption of surfactants to fluid interfaces. We investigated the adsorption of anionic (sodium dodecyl sulfate), cationic (dodecyltrimethylammonium bromide), and non-ionic (polyoxyethylene-(23)-monododecyl ether) surfactants at different interfaces, including air and oils, with a wide range of polarities. The surfactant-induced interfacial tension decrease, called the interfacial pressure, correlates linearly with the initial interfacial tension of the clean oil-water interface and describes the exptl. results of over 30 studies from the literature. The higher interfacial competition of surfactant and polar oil mols. caused the number of adsorbed mols. at the interface to drop. Further, we found that the critical micelle concentration of surfactants in water correlates to the solubility of the oil mols. in water. Hence, the nature of the oil affects the adsorption behavior and equilibrium state of the surfactant at fluid interfaces. These results broaden our understanding and enable better predictability of the interactions of surfactants with hydrophobic phases, which is essential for emulsion, foam, and capsule formation, pharmaceutical commodities, cosmetics, and many food products.

Langmuir published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Psillakis, Elefteria published the artcileVacuum-assisted headspace single-drop microextraction: Eliminating interfacial gas-phase limitations, Application of n-Octanol, the main research area is vacuum headspace single drop microextraction interfacial gas phase limitation; Analyte evaporation; Analyte uptake; Gas constraints; Headspace single drop microextraction; Reduced pressure; Vacuum-assisted headspace single drop microextraction.

Gas-phase limitations have been neglected in headspace single-drop microextraction (HS-SDME) and rate control has been assumed to primarily reside in the liquid water and/or organic phases, but not in the headspace. Herein we demonstrate the presence of interfacial gas constraints and propose using reduced headspace pressures to remove them. To describe the pressure dependence of HS-SDME, the system was decoupled into two interfacial steps: (i) the evaporation step (water-headspace interface) formulated using the two-film theory and (ii) the analyte uptake by the microdrop (headspace-microdrop interface) formulated using the resistance model. Naphthalene, acenaphthene, and pyrene were chosen as model analytes for their large Henry’s law solubility constants in n-octanol (HOA > 103 M atm-1), and their low to moderate Henry’s law volatility constants in water as a solvent (KH). We have found that extraction times were significantly shortened for all analytes by sampling at pressures well below the 1 atm used in the standard HS-SDME procedure. The acceleration of naphthalene extraction, whose facile evaporation into the headspace had been assumed to be practically pressure independent, highlighted the role of mass transfer through the interfacial gas layer on the organic solvent drop. The larger accelerations observed for acenaphthene and (especially) pyrene upon reducing the sampling pressure, suggested that gas-sided constraints were important during both the evaporation and uptake steps. Model calculations incorporating mass transfers at the headspace-microdrop interface confirmed that gas-phase resistance is largely eliminated (>96%) when reducing the sampling pressure from 1 to 0.04 atm, an effect that is nearly independent of analyte mol. mass. The relative importance of the two interfacial steps and their gas- and liquid-phase limitations are discussed, next to the use of KH and HOA to predict the pos. effect of vacuum on HS-SDME.

Analytica Chimica Acta published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pakrieva, Ekaterina published the artcileSupported gold nanoparticles as catalysts in peroxidative and aerobic oxidation of 1-phenylethanol under mild conditions, Recommanded Product: n-Octanol, the main research area is gold nanoparticle phenylethanol peroxidative aerobic oxidation; 1-phenylethanol; DFT; TBHP; alcohol oxidation; gold; heterogeneous catalysis.

The efficiency of Au/TiO2 based catalysts in 1-phenylethanol oxidation was investigated. The role of support modifiers (La2O3 or CeO2), influence of gold loading (0.5% or 4%) and redox pretreatment atm., catalyst recyclability, effect of oxidant, (tert-Bu hydroperoxide (TBHP) or O2), as well as the optimization of exptl. parameters of the reaction conditions in the oxidation of this alc. were studied and compared with previous studies on 1-octanol oxidation Samples were characterized by temperature-programmed oxygen desorption (O2-TPD) method. XPS measurements were carried out for used catalysts to find out the reason for deactivation in 1-phenylethanol oxidation The best catalytic characteristics were shown by catalysts modified with La2O3, regardless of the alc. and the type of oxidant. When O2 was used, the catalysts with 0.5% Au, after oxidative pretreatment, showed the highest activity in both reactions. The most active catalysts in 1-phenylethanol oxidation with TBHP were those with 4% Au and the H2 treatment, while under the same reaction conditions, 0.5% Au and O2 treatment were beneficial in 1-octanol oxidation Despite the different chem. nature of the substrates, it seems likely that Au+(Auδ+) act as the active sites in both oxidative reactions. D. functional theory (DFT) simulations confirmed that the gold cationic sites play an essential role in 1-phenylethanol adsorption.

Nanomaterials published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Swami, K. Rama published the artcileUnraveling the role of phase modifiers in the extraction of Nd(III) from nitric acid medium in tetra-bis(2-ethylhexyl)diglycolamide in n-dodecane containing long chain aliphatic alcohols, SDS of cas: 111-87-5, the main research area is neodymium extraction nitric acid TEHDGA dodecane alc phase modifier.

Tetra-bis(2-ethylhexyl)diglycolamide (TEHDGA) alone in n-dodecane (n-DD) is unsuitable for the solvent extraction of trivalent actinides from high-level liquid waste due to the occurrence of third phase formation during the course of solvent extraction Significant concentration of long chain aliphatic alcs. ranging from 5% to 15% (V/V) have been added to the solvent phase, TEHDGA/n-DD, to control the undesirable third phase formation. The alcs. investigated were n-octanol, n-decanol, and isodecanol. To understand the role of alcs. in controlling the third phase formation, the extraction behavior of the trivalent metal ion, Nd(III), from nitric acid medium was studied in a solution of 0.2 M TEHDGA + 1 M alc. in n-DD. The equilibrium concentration of Nd(III) and nitric acid present in organic and aqueous phases were determined The organic phase obtained after extraction was subjected to dynamic light scattering studies to unravel the role of alc. phase modifiers in organic phase. The aggregate size and their distribution in organic phase was determined as a function of various parameters such as concentrations of nitric acid, Nd(NO3)3 and the nature of alc. In view of this, the aggregate size was controlled much below the limiting aggregate size required for third phase formation by these alc. phase modifiers. Even though all the alcs. investigated in the present study could bring down the aggregate size much below the limiting value, n-decanol was found to be superior to other alcs.

Journal of Molecular Liquids published new progress about Aggregates. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Yan-Mei published the artcileTheoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation, Product Details of C8H18O, the main research area is actinide separation transuranium element interaction amidoxime adsorbent.

Efficient separation of neptunium and plutonium from spent nuclear fuel is essential for advanced nuclear fuel cycles. At present, the development of effective actinide separation ligands has become a top priority. As common adsorbents for extracting uranium from seawater, amidoxime-based adsorbents may also be able to sep. actinides from high-level liquid waste (HLLW). In this work, the complexation of Np(IV,V,VI) and Pu(IV) and alkyl chains (R = C13H26) modified with amidoximate (AO-) and carboxyl (Ac-) functional groups was systematically studied by quantum chem. calculations For all the studied complexing species, the RAc- and RAO- ligands act as monodentate or bidentate ligands. Complexes with AO- groups show higher covalency of the metal-ligand bonding than the analogs with Ac- groups, in line with the binding energy anal. Bonding anal. verifies that these amidoxime/carboxyl-based adsorbents possess higher coordination affinity toward Pu(IV) than toward Np(IV), and the Np(VI) complexes have stronger covalent interactions than Np(V). According to thermodn. anal., these adsorbents have the ability to sep. Np(IV,V,VI) and Pu(IV), and also exhibit potential performance for partitioning Pu(IV) from Np(IV) under acidic conditions. This work can help to deeply understand the interaction between transuranium elements and amidoxime-based adsorbents, and provide a theor. basis for the separation of actinides with amidoxime-based adsorbents.

Dalton Transactions published new progress about Adsorbents. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Product Details of C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bergfreund, Jotam published the artcileAdsorption of charged anisotropic nanoparticles at oil-water interfaces, Application of n-Octanol, the main research area is cellulose nanocrystal nanoparticle oil water interface adsorption energy.

The adsorption of nanoparticles at fluid interfaces is of profound importance in the field of nanotechnol. Recent developments aim at pushing the boundaries beyond spherical model particles towards more complex shapes and surface chemistries, with particular interest in particles of biol. origin. Here, we report on the adsorption of charged, shape-anisotropic cellulose nanocrystals (CNCs) for a wide range of oils with varying chem. structure and polarity. CNC adsorption was found to be independent of the chain length of aliphatic n-alkanes, but strongly dependent on oil polarity. Surface pressures decreased for more polar oils due to lower particle adsorption energies. Nanoparticles were increasingly wetted by polar oils, and interparticle Coulomb interactions across the oil phase thus increase in importance. No surface pressure was measurable and the O/W emulsification capacity ceased for the most polar octanol, suggesting limited CNC adsorption. Further, salt-induced charge screening enhanced CNC adsorption and surface coverage due to lower interparticle and particle-interface electrostatic repulsion. An empiric power law is presented which predicts the induced surface pressure of charged nanoparticles based on the specific oil-water interface tension.

Nanoscale Advances published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Somekawa, Naoki published the artcileComputational Prediction of Adsorption Equilibrium for Nonionic Surfactants at the Oil/Water Interface, COA of Formula: C8H18O, the main research area is DFT surfactant oil water interface adsorption dodecanol octanol hexanol.

The non-Bornian solvation model has been applied for predicting the adsorption equilibrium for nonionic surfactants at the oil (O)/water (W) interface. In the non-Bornian model, the small contribution from the long-range electrostatic interaction is ignored, and the solvation or resolvation energy is formulated based on the short-range solute mol. (or ion)-solvent interactions-cavity formation, Coulomb, polarization, charge transfer, etc. These interaction energies are given by zero, first, and second-order functions of the local elec. field (Ei) on the mol. surface, which can be estimated by d. functional theory calculation In the present study, we considered an adsorption process as “”partial”” transfer of a mol. across the O/W interface. Using a non-Bornian, semi-empirical equation for the Gibbs energy of transfer of nonionic mols., the adsorption states of alkyl alcs. (1-dodecanol, 1-octanol, and 1-hexanol) at the 1,2-dichloroethane/W interface were successfully predicted. The orientation angle (θ), the rotation angle (ω), and the penetration depth into the O phase (d) of the alcs. in the adsorption state could be estimated Furthermore, the energies for the adsorption from O and W (ΔG°,O→Iad and ΔG°,W→Iad) could be estimated theor. The values of ΔG°,O→Iad for the alcs. studied were in good agreement with those determined exptl. by the drop-weight method.

Langmuir published new progress about Adsorption. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, COA of Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts