Category: 111-87-5

Pilkington, Lisa I. published the artcileA chemometric analysis of deep-sea natural products, Safety of n-Octanol, the main research area is cytarabine vidarabine trabectedin pharmacokinetics natural product; chemical space; deep-sea; drug-like; known drug space; lead-like; natural products.

In this study, 179 deep-sea natural products isolated from 2009 to 2013 were investigated by analyzing their physicochem. properties that are important indicators of the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) profile of a compound The study and anal. of these mol. descriptors and characteristics enabled the defining of these compounds in various chem. spaces, particularly as an indication of their drug-likeness and position in chem. space and is the first to be conducted to analyze deep-sea derived natural products. It was found that ~40% of all deep-sea natural products were drug-like and 2/3 were within Known Drug Space (KDS), highlighting the high drug-likeness of a significant proportion of deep-sea natural products, most of which have already been shown to have notable biol. activities, that should be further investigated as potential therapeutics. Furthermore, this study was able to reveal the general structural differences between compounds from Animalia, Bacteria and Fungi organisms where it was observed that natural products from members of the Animalia kingdom are structurally more varied than compounds from bacteria and fungi. It was also noted that, in general, fungi-derived compounds occupy a more favorable position in drug-like chem. space and are a rich and promising source of biol.-active natural products for the purposes of drug development and therapeutic application.

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Padilha, Carlos Eduardo de Araujo published the artcileSeparation and concentration of bioactive phenolic compounds by solvent sublation using three-liquid-phase system, Computed Properties of 111-87-5, the main research area is bioactive phenolic compound solvent sublation liquid phase system.

The present work investigated the SS performance with focus on the addition of second collecting phase to intensify the separation of vanillin and eugenol. First, experiments were performed with only n-octanol as the only collecting phase and the effects of solutes concentration and pH of the bottom phase were evaluated on the separation efficiency (E%). Then, the SS process was performed in a three-liquid-phase system formed by n-octanol/PEG 400/(NH4)2SO4 and the results were evaluated based on E%, distribution coefficient (D) and vanillin selectivity (RVAN/EUG) values. When compared to single component experiments, the presence of another solute had little effect on the E% values of vanillin and eugenol, regardless of the range of the initial concentration Moreover, in SS with n-octanol/acetate buffer it was possible to reach the highest values of E% for vanillin (53.83%) and eugenol (85.37%) in experiments with pH equal to 4.5. On the other hand, the three-liquid-phase system achieved selectivity at least twice as high as two-liquid-phase systems and D values higher than 25 for vanillin in the PEG 400-rich phase. Thus, SS using three-liquid-phase system appears as an alternative to solve multicomponent separation problems involving bioactive compounds

Food and Bioproducts Processing published new progress about Food processing. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Computed Properties of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Peng, Ke published the artcileGelled non-toxic microemulsions: phase behavior & rheology, Category: alcohols-buliding-blocks, the main research area is gelled non toxic microemulsion phase diagram rheol.

Bicontinuous microemulsions gelled with a low mol. weight gelator have been shown to be an orthogonally self-assembled system. With the mech. stability provided by the gel network, gelled non-toxic bicontinuous microemulsions have the potential to be an efficient transdermal drug delivery carrier. However, up to now no suitable system has been formulated for transdermal drug delivery. To fill this gap, we formulated and characterized a gelled non-toxic bicontinuous microemulsion suitable for the mentioned application. Starting from a previously studied scouting system, namely, H2O-n-octane-n-octyl β-D-glucopyranoside (β-C8G1)-1-octanol, the co-surfactant and the oil were replaced by non-toxic components. Subsequently, the expensive pure surfactant was replaced by cheap tech.-grade surfactants (Plantacare series) to make the system economical. Having formulated the non-toxic microemulsion H2O-IPM-Plantacare 1200 UP-1,2-octanediol, three low mol. weight gelators were studied with regard to the gelation of both the scouting system and the non-toxic system. The chosen gelators were 12-hydroxyoctadecanoic acid (12-HOA), 1,3:2,4-dibenzylidene-D-sorbitol (DBS), and N,N’-dibenzoyl-L-cystine (DBC). We found that only DBS gels the non-toxic microemulsion. The gelled non-toxic bicontinuous microemulsion H2O-IPM-Plantacare 1200 UP-1,2-octanediol was characterized with oscillatory shear rheometry and small-angle neutron scattering (SANS) at a DBS concentration of 0.3 wt% to verify that the system is indeed a gel and that the microstructure of the microemulsion is not altered by the gel network.

Soft Matter published new progress about Gelation agents. 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

Kumar, Anil published the artcileRotational Diffusion of Medium Sized 7-[Diethylamino]-2H-1-Benzopyran-2-One Molecule in Alcohols: Study of Temperature and Solvent Viscosity Effect, Related Products of alcohols-buliding-blocks, the main research area is diethylamino benzopyranone dipole moment dielec relaxation rotational diffusion fluorescence; Hydrodynamic theories; Laser dye; Point dipole dielectric theories; Reorientation times; Super slip.

The rotational re-orientations times of the 7-[diethylamino]-2H-1-benzopyran-2-one (7-DHB) dye mol. have been examined in ethanol and octanol solvents when macroscopic solvent viscosity parameter is varied by varying the temperature, by employing the steady-state fluorescence depolarisation and Time-Correlated Single Photon Counting (TCSPC) techniques. Exptl. observation shows that 7-DHB probe is experiencing higher friction in octanol compared to ethanol and rotates slower by a factor of 7.3. The hydrodynamic Stokes Einstein’s Debye theory (SED) with a stick, slip boundary conditions parameters, quasi-hydrodynamic models (Dote-Kivelson-Schwartz and Geirer-Wirtz) were used to determine mech. friction and found an interesting towards super slip trend. Dielec. frictional theories of point dipole, Nee-Zwanzig and van der Zwan-Hynes both models fail to describe exptl. observe dielec. friction trends. Evidently, both hydrodynamic and dielec. models failed to explain the examined behavior, even in the qual. way in alcs.

Journal of Fluorescence published new progress about C-N bond length. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yano, Yohko F. published the artcilePeriodic Elastic Motion in a Self-Assembled Monolayer under Spontaneous Oscillations of Surface Tension: Molecules in a Scrum Push Back a Marangoni Flow, Name: n-Octanol, the main research area is self assembled monolayer surface tension Marangoni effect.

Regularly recurring phenomena are a common and important part of life. Such rhythmic behaviors are often seen in nonliving systems under far-from-equilibrium conditions. The study of simple nonliving systems provides clues for improving our understanding of the origin of biol. rhythms. Here, we focus on the spontaneous oscillation of surface tension associated with an intermittent Marangoni convective flow generated by two types of surfactants, those that are partially soluble (long chain alcs.) and insoluble (lipids) in water. In this system, we find that the collective motions of two surfactants interact with each other in a systematic manner to control a stable periodic motion: the alc. mols. (donor) produce a Marangoni flow, and the lipid mols. (acceptor) in a monolayer push the flow back. The shape of the surface tension oscillation can be explained by the viscoelastic properties of the acceptor surfactant, whereas the period of the surface tension oscillation has been explained by the phys. properties of the donor surfactant. A recently developed time-resolved X-ray surface scattering technique enables the dynamic structure of the water surface under flow to be determined We have repeatedly observed that lipid mols. at the air-water interface become regularly oriented normal to the surface at every onset of the Marangoni convective flow.

Journal of Physical Chemistry Letters published new progress about Convective flow. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Name: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Khedri, Zohrab published the artcileKirkwood-Buff integrals and structure factor for binary mixtures of ionic liquid with 1-alkanol, Safety of n-Octanol, the main research area is alkanol Kirkwood Buff integral binary mixture ionic liquid.

In this paper, we have tried to describe the factors affecting mol. interactions and structure of binary systems including 1-Hexyl-3-methylimidazolium Nitrate ([Hmim][NO3]) and 1-alkanol (1-hexanol, up to 1-decanol) using Kirkwood-Buff (KB) integrals and structure factor. Obtained results indicate that unlike mols. tend to form favorable interactions via forming hydrogen bonds or dipolar interactions and stay alongside, while an increase in the carbon chain of 1-alkanols reduces the strength of bonds and tendency of the unlike mols. to stay together. Moreover, the structure of mixtures was studied using the concentration-concentration structure factor, SCC(0). Results from the application of this parameter show that in all binary mixtures, heterocoordination is predominant, ordering occurs in solutions and fluctuations are less than random orientation. In addition, the chem. short-range order parameter α’, which is an important function to understand the complex formation and phase segregation in the liquid mixtures, was calculated and discussed for mentioned mixtures For current binary mixtures, exptl. data and theor. investigations are novel and reported for the first time.

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Franchin, Taisa Busaranho published the artcileAssessment of the Physicochemical Properties and Stability for Pharmacokinetic Prediction of Pyrazinoic Acid Derivatives, Recommanded Product: n-Octanol, the main research area is pharmacokinetics pyrazinoic acid stability physicochem property; Pyrazinoic acid; chemical stability; metabolism; permeability; pharmacokinetics; plasma stability.

Background: Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis, which still has high prevalence worldwide. In addition, cases of drug resistance are frequently observed In the search for new anti-TB drugs, compounds with antimycobacterial activity have been developed, such as derivatives of pyrazinoic acid, which is the main pyrazinamide metabolite. In a previous study, the compounds were evaluated and showed moderate antimycobacterial activity and no important cytotoxic profile; however, information about their pharmacokinetic profile is lacking. Objective: The aim of this work was to perform physicochem., permeability, and metabolic properties of four pyrazinoic acid esters. Method: The compounds were analyzed for their chem. stability, n-octanol:water partition coefficient (logP) and apparent permeability (Papp) in monolayer of Caco-2 cells. The stability of the compounds in rat and human microsomes and in rat plasma was also evaluated. Results: The compounds I, II and IV were found to be hydrophilic, while compound III was the most lipophilic (logP 1.59) compound The apparent permeability measured suggests good intestinal absorption of the compounds Addnl., the compounds showed metabolic stability under action of human and rat microsomal enzymes and stability in rat plasma for at least 6 h. Conclusion: The results bring favorable perspectives for the future development of the evaluated compounds and other pyrazinoic acid derivatives

Current Drug Metabolism published new progress about Bioavailability. 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

Alkhalidi, Bashar A. published the artcileClarithromycin laurate salt: physicochemical properties and pharmacokinetics after oral administration in humans, Category: alcohols-buliding-blocks, the main research area is clarithromycin laurate salt tablet oral drug delivery pharmacokinetics; Clarithromycin laurate; bioavailability; fatty acid salt; physicochemical characterization.

To prepare and characterize the physicochem. and pharmacokinetic properties of clarithromycin laurate (CLM-L), a fatty acid salt of clarithromycin (CLM). CLM-L was prepared by a simple co-melting process. The formation of CLM-L was confirmed using FTIR, 1H NMR, and 13C NMR. Solubility, intrinsic dissolution rate (IDR), and partitioning properties of CLM-L were determined and compared to those of CLM. Bioavailability of CLM from CLM-L tablets was evaluated in healthy volunteers and compared to immediate release CLM tablets. CLM-L showed lower aqueous solubility, higher partitioning coefficient, and slower dissolution rate. Tablets of CLM-L also showed a significantly slower in vitro release in comparison to CLM tablets. Cmax, Tmax and AUC0→inf of CLM-L tablets and immediate release CLM tablets did not show a significant difference. However, the AUC0→inf for the CLM-L tablets tended to be higher than that of CLM tablets at all-time points. CLM-L was successfully prepared and its formation was confirmed. CLM-L was more hydrophobic than CLM. It exhibited a slight in vivo absorption enhancement in comparison to CLM. However, its pharmacokinetic behavior was comparable to that of CLM.

Pharmaceutical Development and Technology published new progress about Bioavailability. 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

Yue, David published the artcileApplications of Abraham solvation parameter model: estimation of the lethal median molar concentration of the antiepileptic drug levetiracetam towards aquatic organisms from measured solubility data, Category: alcohols-buliding-blocks, the main research area is levetiracetam lethal median molar concentration Abraham solvation parameter model.

Abraham model solute descriptors are calculated for the pharmaceutical compound levetiracetam based on exptl. solubility data retrieved from the published literature. The calculated solute descriptors math. describe the solubility behavior of levetiracetam in methanol, ethanol, 1-propanol, 2-propanol, acetone, acetonitrile, Et acetate, toluene and cyclohexane to within a standard error of 0.102 log units. Once calculated the Abraham model solute descriptors can be used to estimate the solubility of levetiracetam in more than 100 different organic solvents, as well as several important environmental and pharmaceutical properties, such as the lethal median molar concentration of levetiracetam towards various aquatic organisms and blood-to-body organ (or tissue) partition coefficients

Physics and Chemistry of Liquids published new progress about Anticonvulsants. 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

Ashraf Uddin, M. published the artcileViscometric studies of molecular interactions in binary mixtures of ethylbenzene with (C4 to C8) Alkan-1-ols, SDS of cas: 111-87-5, the main research area is ethylbenzene butanol electron transfer density functional theory.

Dynamic viscosities (ηexp) for binary mixtures of ethylbenzene with butan-1-ol, pentan-1-ol, hexan-1-ol, heptan-1-ol, and octan-1-ol were measured at varying temperatures (298.15-323.15 K; interval, 5 K) and atm. pressure. Viscosity deviations (Δη) across the entire range of mole fractions were derived from ηexp and were correlated using a Redlich-Kister type polynomial expression. The ηexp were compared with those calculated, ηcal, in terms of the pure components and the adjustable interaction parameters derived from ηexp using Arrhenius, Kendall-Monroe, Grunberg-Nissan, Teja-Rice, and Andrade/DIPPR models to evaluate the validity of the predictive and correlative approaches. The temperature-induced variations in ηexp were discussed considering the impact of the increasing chain-length of alkanols, including mol. interactions among the component mols. in the binary mixtures A computational quantum mech. modeling approach, d.-functional theory, was used to explore the dimensions in interactions among the binary mixture components.

Journal of Molecular Liquids published new progress about Binary mixtures. 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