Category: 111-87-5

Duss, Markus published the artcileA new simplified tray efficiency model with improved accuracy for sieve trays, Product Details of C8H18O, the main research area is sieve tray efficiency ammonia styrene acetic acid.

Engineers rarely use modern tray efficiency models due to the high effort required implementing them and due to their lack of accuracy. The more rigorous traditional models require many input parameters; newer mechanistic models increase the complexity even further. In sharp contrast, O’Connell’s empirical but simple correlation is widely applied despite its shortcomings.We will present a simplified model based on the traditional approach that allows a process engineer to estimate the tray efficiency during the hydraulic design phase, when an equilibrium stage simulation is available. Despite the simplifications, the new model achieves improved accuracy at predicting the section efficiencies when compared to both the O’Connell method and to more rigorous (and complicated) modern methods.

Chemical Engineering Research and Design published new progress about Mass transfer. 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

Naeem, Mohammad published the artcileEffective performance of CeO2 based silica for preparation of octanal, Related Products of alcohols-buliding-blocks, the main research area is octanal ceria silica nanoparticle oxidation catalyst property.

Alcs. are naturally occurring substances that are mainly used to prepare aldehydes through oxidation/dehydrogenation processes (such as coupling transfer dehydrogenation reactions), where unsaturated organic compounds are used as an oxidants. In the industrial field, various homogeneous and heterogeneous catalysts are used for the oxidation of alcs. and the formation of aldehydes in a short period of time, greater chem. conversion, high yields and higher selectivity. In this work, silica and ceria nanoparticles have been synthesized by sol-gel and co-precipitation methods, where silica is used as a support material for catalytically active nano-sized ceria. Catalyst calcined at 600°C and characterized by FT-IR, TEM, SEM and XRD was used for liquid-phase oxidation of primary alcs. Maximum percentage conversion with high selectivity of octanol to octanal was obtained at 60°C in 1 h with respect to 0.5 g catalytic dose. In the presence of a heterogeneous catalyst, the percentage conversion and selectivity of octanol to octanal was found to increase over time.

Journal of Porous Materials published new progress about Nanoparticles. 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

Price, Paige M. published the artcileClustering of Iron Oxide Nanoparticles with Amphiphilic Invertible Polymer Enhances Uptake and Release of Drugs and MRI Properties, Recommanded Product: n-Octanol, the main research area is iron oxide nanoparticles polymers.

A functionalization of iron oxide nanoparticles (NPs) of different diameters by the amphiphilic invertible polymer, (PEG600-alt-PTHF650)k (PEG and PTHF stand for poly(ethylene glycol) and poly(tetrahydrofuran), resp.), leads to different NP/polymer architectures for dye/drug uptake and release, as is reported here for the first time. It is demonstrated that 18.6 ± 1.4 and 11.9 ± 0.6 nm NPs are individually coated by this polymer, while 5.9 ± 0.6 nm NPs form nanoparticle clusters (NPCs) which could be isolated by either ultracentrifugation or magnetic separation This phenomenon is most likely due to the character of the (PEG600-alt-PTHF650)k macromol. with alternating hydrophilic and hydrophobic fragments and its dimensions sufficient to cause NP clustering. Utilizing Rhodamine B base (RBB) and doxorubicin (DOX), the data on uptake upon mixing and further release via inversion into octanol (mimicking the penetration of the cell biomembrane) are presented. The magnetic NPCs display enhanced uptake and release of both RBB and DOX most likely due to the higher retained polymer amount The NPCs also display exceptional magnetic resonance imaging properties. This and the high uptake/release efficiency of the NPCs combined with easy magnetic separation make them promising for theranostic probes for magnetically targeted drug delivery.

Particle & Particle Systems Characterization published new progress about Nanoparticles. 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

Hatano, Eduardo published the artcileEnvironmental decomposition of olefinic cuticular hydrocarbons of Periplaneta americana generates a volatile pheromone that guides social behaviour, Recommanded Product: n-Octanol, the main research area is Periplaneta americana volatile pheromone olefinic cuticular hydrocarbon environmental decomposition; American cockroach; Periplaneta americana; cuticular hydrocarbons; environmental reaction; habitat selection; pro-semiochemicals.

Once emitted, semiochems. are exposed to reactive environmental factors that may alter them, thus disrupting chem. communication. Some species, however, might have adapted to detect environmentally mediated breakdown products of their natural chems. as semiochems. We demonstrate that air, water vapor and UV radiation break down unsaturated cuticular hydrocarbons (CHCs) of Periplaneta americana (American cockroach), resulting in the emission of volatile organic compounds (VOCs). In behavioral assays, nymphs strongly avoided aggregating in shelters exposed to the breakdown VOCs from cuticular alkenes. The three treatments (air, water vapor, UV) produced the same VOCs, but at different time-courses and ratios. Fourteen VOCs from UV-exposed CHCs elicited electrophysiol. responses in nymph antennae; 10 were identified as 2-nonanone, 1-pentanol, 1-octanol, 1-nonanol, tetradecanal, acetic acid, propanoic acid, butanoic acid, pentanoic acid and hexanoic acid. When short-chain fatty acids were tested as a mix and a blend of the alcs. and aldehyde was tested as a second mix, nymphs exhibited no preference for control or treated shelters. However, nymphs avoided shelters that were exposed to VOCs from the complete 10-compound mix. Conditioned shelters (occupied by cockroaches with faeces and CHCs deposited on the shelters), which are normally highly attractive to nymphs, were also avoided after UV exposure, confirming that breakdown products from deposited metabolites, including CHCs, mediate this behavior. Our results demonstrate that common environmental agents degrade CHCs into behaviorally active volatile compounds that potentially may serve as necromones or epideictic pheromones, mediating group dissolution

Proceedings of the Royal Society B: Biological Sciences published new progress about Decomposition. 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

Wang, Zihao published the artcilePredictive deep learning models for environmental properties: the direct calculation of octanol-water partition coefficients from molecular graphs, Synthetic Route of 111-87-5, the main research area is octanol water partition coefficient deep learning model environmental property.

As an essential environmental property, the octanol-water partition coefficient (KOW) quantifies the lipophilicity of a compound and it could be further employed to predict toxicity. Thus, it is an indispensable factor that should be considered for screening and development of green solvents with respect to unconventional and novel compounds Herein, a deep-learning-assisted predictive model has been developed to accurately and reliably calculate log KOW values for organic compounds An embedding algorithm was specifically established for generating signatures automatically for mol. structures to express structural information and connectivity. Afterwards, the Tree-structured long short-term memory (Tree-LSTM) network was used in conjunction with signature descriptors for automatic feature selection, and it was then coupled with the back-propagation neural network to develop a deep neural network (DNN), which is used for modeling quantity structure-property relationship (QSPR) to predict log KOW. Compared with an authoritative estimation method, the proposed DNN-based QSPR model exhibited better predictive accuracy and greater discriminative power in terms of the structural isomers and stereoisomers. As such, the proposed deep learning approach can act as a promising and intelligent tool for developing environmental property prediction methods for guiding development or screening of green solvents.

Green Chemistry published new progress about Deep learning. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Synthetic Route of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wall, Kayley R. published the artcileGrilling temperature effects on tenderness, juiciness, flavor and volatile aroma compounds of aged ribeye, strip loin, and top sirloin steaks, Category: alcohols-buliding-blocks, the main research area is ribeye strip loin sirloin steak pyrazine tenderness juiciness temperature; Beef; Consumer; Grill; Pyrazine; Tenderness; Volatiles.

Ribeye, top loin, and top sirloin steaks were assigned a grilling temperature setting (177°C, 205°C, or 232°C) and consumer panel, Warner-Bratzler shear force, trained sensory panel, and GC/MS – olfactory analyses were performed. No differences (P > 0.05) in consumer overall, tenderness, juiciness, appearance, and flavor liking were detected among steak type or grill temperature Grill surface temperature had no effect (P > 0.05) on trained panel tenderness scores. Of the volatiles present during an aroma event, pyrazine compounds were most influenced by grill surface temperature The tenderness and juiciness of steaks grilled at differing temperatures were not perceived to be different by consumers; however, grilling temperature impacted the flavor of the final product by generating more pyrazine compounds Steaks in this study likely were too tender to have a grilling effect on tenderness, but selecting different grilling temperatures can be used to vary the amount of browning of steaks and/or to modify aroma volatile compounds

Meat Science published new progress about Dietary fiber. 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

Ding, Ye published the artcilePredicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields, Safety of n-Octanol, the main research area is drug like mol partition coefficient Drude polarizable force field.

Abstract: The water-octanol partition coefficient is an important physicochem. property for small mol. drug design. Here, we report our participation in the SAMPL6 logP prediction challenge with free energy perturbation (FEP) calculations in the water phase and in the 1-octanol phase using Drude polarizable force fields. Root mean square error (RMSE) and mean absolute error (MAE) of our prediction are equal to 1.85 and 1.25 logP units. The errors are not evenly distributed. Out of eleven SAMPL6 solutes, FEP/Drude performed very badly on three mols. (deviations all larger than 2 logP units) but good on the remaining eight (deviations all less than 1 logP unit). We find while FEP converges well within one nanosecond in water, simulations in 1-octanol need much longer simulation time and possibly more independent runs for sampling. We also find out that 1-octanol, albeit being a non-polar solvent, still polarizes solute mols. and forms stable hydrogen bonds with them. At the end, we attempt to reweight FEP trajectories with QM/Drude calculations and discuss possible caveats in our simulation setup.

Journal of Computer-Aided Molecular Design published new progress about Dipole moment. 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

Pochec, Michal published the artcileInside out Approach to Rotator State in Hydrogen-Bonded System-Experimental and Theoretical Cross-Examination in n-Octanol, Synthetic Route of 111-87-5, the main research area is octanol hydrogen bonded system rotator state; CPMD; IR; NDE; PIMD; classical MD; intermolecular hydrogen bond; melting; n-octanol; premelting; solid state.

The exptl. and theor. description of premelting behavior is one of the most challenging tasks in contemporary material science. In this paper, n-octanol was studied using a multi-method approach to investigate it at macroscopic and mol. levels. The exptl. IR (IR) spectra were collected in the solid state and liquid phase at temperature range from -84°C to -15°C to detect temperature-related indicators of pretransitional phenomena. Next, the nonlinear dielec. effect (NDE) was measured at various temperatures (from -30°C to -15°C) to provide insight into macroscopic effects of premelting. As a result, a two-step mechanism of premelting in n-octanol was established based on exptl. data. It was postulated that it consists of a rotator state formation followed by the surface premelting. In order to shed light onto mol.-level processes, classical mol. dynamics (MD) was performed to investigate the time evolution of the changes in metric parameters as a function of simulation temperature The applied protocol enabled simulations in the solid state as well as in the liquid (the collapse of the ordered crystal structure). The exact mol. motions contributing to the rotator state formation were obtained, revealing an enabling of the rotational freedom of the terminal parts of the chains. The Car-Parrinello mol. dynamics (CPMD) was applied to support and interpret exptl. spectroscopic findings. The vibrational properties of the stretching of OH within the intermol. hydrogen bond were studied using Fourier transformation of the autocorrelation function of both dipole moments and at. velocity. Finally, path integral mol. dynamics (PIMD) was carried out to analyze the quantum effect’s influence on the bridged proton position in the hydrogen bridge. On the basis of the combined exptl. and theor. conclusions, a novel mechanism of the bridged protons dynamics has been postulated-the interlamellar hydrogen bonding pattern, resulting in an addnl. OH stretching band, visible in the solid-state exptl. IR spectra.

International Journal of Molecular Sciences published new progress about Dipole moment. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Synthetic Route of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bi, Shuang published the artcileGas chromatography-mass spectrometry combined with multivariate data analysis as a tool for differentiating between processed orange juice samples on the basis of their volatile markers, Application In Synthesis of 111-87-5, the main research area is GC MS multivariate analysis orange juice volatile marker; (E)-2-Heptenal (PubChem CID 5283316); (E)-2-nonenal (PubChem CID 5283335); Carveol (PubChem CID 7438); Discriminant volatile compound; Ethyl butanoate (PubChem CID 7762); Gas chromatography–mass spectrometry; Heptanal (PubChem CID 8130); High hydrostatic pressure; Nootkatone (PubChem CID 1268142); Orange juice; Partial least-squares analysis; Pasteurization; d-Carvone (PubChem CID 16724); d-Limonene (PubChem CID 440917); p-Mentha-1,5-dien-8-ol (PubChem CID 519323); β-Terpineol (PubChem CID 8748).

The contents of volatile aroma compounds in orange juice vary after high hydrostatic pressure (HHP) processing and pasteurization, and hence gas chromatog.-mass spectrometry has potential for discriminating between orange juice samples according to the processing method. Effects of HHP processing and pasteurization on orange juice were investigated immediately after processing and after storage for 28 days at 4°C. Processing decreased the contents of most terpenes and esters and increased those of alcs. and aldehydes. Volatile compounds that could serve as discriminant indicators of HHP processing and pasteurization were heptanal, (E)-2-heptenal, (E)-2-nonenal, and d-carvone and β-terpineol, p-mentha-1,5-dien-8-ol, carveol, and β-copaene, resp. The discrimination abilities of pH, ascorbic acid, total soluble solids, and color were compared with those of volatile compounds, which were found to be lower. The compounds d-carvone and β-terpineol could be used as discriminant indicators of HHP-treated and pasteurized orange juice, resp., throughout the storage period.

Food Chemistry published new progress about Food analysis. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Application In Synthesis of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pan, Mingzhang published the artcileReduction in PM and NOX of a diesel engine integrated with n-octanol fuel addition and exhaust gas recirculation, Category: alcohols-buliding-blocks, the main research area is nitrogen oxide octanol diesel engine exhaust gas particulate matter.

N-Octanol with its high energy d. and high cetane number has similar fuel properties as diesel fuel, and is thus considered an excellent choice for alc. fuels as a substitute for diesel. This study focused on the effects of exhaust gas recirculation (EGR) combined with the addition of n-octanol on the performance, emissions, and particulate matter (PM) of a direct injection diesel engine. The results show that the curves of the in-cylinder pressure of n-octanol/diesel blends nearly overlap those of pure diesel fuel under the test conditions. At a low EGR ratio, the brake thermal efficiency of n-octanol/diesel blends is higher than that of diesel fuel. With an increase in the EGR ratio, the results show that nitrogen oxide (NOX) emissions decrease, whereas carbon monoxide (CO) and soot emissions significantly increase. However, the use of n-octanol/diesel blends can inhibit the increase in CO and soot emissions appreciably. In addition, with an increase in n-octanol content in the blends, the number concentration of particles on the particle size distribution decreases gradually. To summarize, a simultaneous reduction in NOX and PM emissions under a combined operation of small EGR ratios and n-octanol blends can be realized, thereby improving the brake thermal efficiency.

Energy (Oxford, United Kingdom) published new progress about Cetane number. 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