Category: 111-87-5

Kiris, Baris published the artcileSeparation of Mandelic Acid by a Reactive Extraction Method Using Tertiary Amine in Different Organic Diluents, Safety of n-Octanol, the main research area is mandelic acid; reactive extraction; separation; tri-n-octylamine.

Mandelic acid is a valuable chem. that is commonly used in the synthesis of various drugs, in antibacterial products, and as a skin care agent in cosmetics. As it is an important chem., various methods are used to synthesize and extract this compound However, the yields of the used processes is not significant. A dilute aqueous solution is obtained when using several production methods, such as a fermentation, etc. In this study, the reactive extraction of mandelic acid from aqueous solutions using tri-n-octylamine extractant at 298.15 K was investigated. Di-Me phthalate (DMP), Me iso-Bu ketone (MIBK), 2-octanone, 1-octanol, n-pentane, octyl acetate, and toluene were used as diluents. The batch extraction results of the mandelic acid experiments were obtained for the development of a process design. Calculations of the loading factor (Z), distribution coefficient (D), and extraction efficiency (E%) were based on the exptl. data. The highest separation yield was obtained as 98.13% for 0.458 mol.L-1 of tri-n-octylamine concentration in DMP. The overall extraction constants were analyzed for the complex of acid-amine by the Bizek approach, including K11, K12, and K23.

Molecules published new progress about mandelic acid; reactive extraction; separation; tri-n-octylamine. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

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Farag, Michael M published the artcileHyaluronic Acid Conjugated Metformin-Phospholipid Sonocomplex: A Biphasic Complexation Approach to Correct Hypoxic Tumour Microenvironment., Category: alcohols-buliding-blocks, the main research area is MiaPaCa-2; hyaluronic acid; hypoxia-inducible factor; metformin; pancreatic ductal adenocarcinoma.

PURPOSE: Development of hyaluronic acid conjugated metformin-phospholipid sonocomplexes (HA-MPS), a biphasic complexation product compiled for enhancing both the lipophilicity and targeting potential of Metformin (MET) to CD44 receptors on pancreatic cancer. METHODS: MET was chemically conjugated to hyaluronic acid (HA) via amide coupling reaction. Then, the HA conjugated MET was physically conjugated to Lipoid™S100 via ultrasound irradiation. A combined D-optimal design was implemented to statistically optimize formulation variables. The HA-MPS were characterized through solubility studies, partition coefficient, drug content uniformity, particle size and zeta potential. The optimized HA-MPS was tested via proton nuclear magnetic resonance, infrared spectroscopy to elucidate the nature of physicochemical interactions in the complex which was further scrutinized on molecular level via molecular docking and dynamic simulation. RESULTS: The solubility and partition studies showed a lipophilicity enhancement up to 67 folds as they adopted inverted micelles configuration based on the packing parameter hypothesis. The optimized HA-MPS showed 11.5 folds lower IC50, extra 25% reduction in oxygen consumption rate, better reduction in hypoxia-inducible factor and reactive oxygen species in MiaPaCa-2 cells. CONCLUSION: These results proved better internalization of MET which was reflected by abolishing hypoxic tumour microenvironment, a mainstay toward a normoxic and less resistant pancreatic cancer.

International journal of nanomedicine published new progress about MiaPaCa-2; hyaluronic acid; hypoxia-inducible factor; metformin; pancreatic ductal adenocarcinoma. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

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Weiglein, Alice published the artcileOne-trial learning in larval Drosophila, Formula: C8H18O, the main research area is .

Animals of many species are capable of “”small data”” learning, i.e., of learning without repetition. Here we introduce larval Drosophila melanogaster as a relatively simple study case for such one-trial learning. Using odor-food associative conditioning, we first show that a sugar that is both sweet and nutritious (fructose) and sugars that are only sweet (arabinose) or only nutritious (sorbitol) all support appetitive one-trial learning. The same is the case for the optogenetic activation of a subset of dopaminergic neurons innervating the mushroom body, the memory center of the insects. In contrast, no onetrial learning is observed for an amino acid reward (aspartic acid). As regards the aversive domain, one-trial learning is demonstrated for high-concentration sodium chloride, but is not observed for a bitter tastant (quinine). Second, we provide follow-up, parametric analyses of odor-fructose learning. Specifically, we ascertain its dependency on the number and duration of training trials, the requirements for the behavioral expression of one-trial odor-fructose memory, its temporal stability, and the feasibility of one-trial differential conditioning. Our results set the stage for a neurogenetic anal. of one-trial learning and define the requirements for modeling mnemonic processes in the larva.

Learning & Memory published new progress in CAplus and MEDLINE about 111-87-5, 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
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Kempraj, Vivek published the artcile1-Octanol emitted by Oecophylla smaragdina weaver ants repels and deters oviposition in Queensland fruit fly, Product Details of C8H18O, the main research area is .

Abstract: Humans have used weaver ants, Oecophylla smaragdina, as biol. control agents to control insect pests in orchards for many centuries. Over recent decades, the effectiveness of weaver ants as biol. control agents has been attributed in part to deterrent and oviposition inhibiting effects of kairomones produced by the ants, but the chem. identity of these kairomones has remained unknown. We have identified the kairomone responsible for deterrence and oviposition inhibition by O. smaragdina, providing a significant advance in understanding the chem. basis of their predator/prey interactions. Olfactometer assays with extracts from weaver ants demonstrated headspace volatiles to be highly repellent to Queensland fruit fly, Bactrocera tryoni. Using electrophysiol. and bioassays, we demonstrate that this repellence is induced by a single compound, 1-octanol. Of 16 compounds identified in O. smaragdina headspace, only 1-octanol evoked an electrophysiol. response from B. tryoni antennae. Flies had greatly reduced oviposition and spent significantly less time in an olfactometer arm in the presence of 1-octanol or a synthetic blend of headspace volatiles containing 1-octanol than in the presence of a synthetic blend of headspace volatiles without 1-octanol, or clean air. Taken together, our results demonstrate that 1-octanol is the functional kairomone component of O. smaragdina headspace that explains repellence and oviposition deterrence, and is hence an important contributor to the effectiveness of these ants as biol. control agents.

Scientific Reports published new progress in CAplus and MEDLINE about 111-87-5, 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,
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Fikarova, K. published the artcileAutomated continuous-flow in-syringe dispersive liquid-liquid microextraction of mono-nitrophenols from large sample volumes using a novel approach to multivariate spectral analysis, Application of n-Octanol, the main research area is syringe liquid microextraction nitrophenol analysis water pollution; Background simulation; Continuous-flow dispersive liquid-liquid microextraction; Lab-in-Syringe; Large volume sample pre-treatment; Mono-nitrophenols; Multivariate spectrum analysis.

Continuous magnetic stirring-assisted dispersive liquid-liquid extraction followed by dispersive backextn. as a novel pre-treatment technique for adaptable and milliliter volumes of environmental samples has been developed. The procedure was automated using the technique “”Lab-In-Syringe””. The void of the automated syringe pump was used as size-adaptable extraction chamber. By a flow channel in the syringe piston, continuous flow through the syringe void was enabled. 1-Octanol was used as an extractant and dispersed by the action of a magnetic stirring bar, which was placed inside the syringe and driven by an external rotating magnetic field. Extract washing and dispersive backextn. in an alk. aqueous acceptor phase were carried out after the preceding extraction from the acidified water sample. Analyte determination was achieved using multivariate spectrum anal. The method was applied to determine priority pollutants, mono-nitrophenols, in surface water and enabled to reach limits of detection for o-, m-, p-nitrophenol (λ = 418, 390, 400 nm, resp.) of 0.14, 0.26, and 0.02 μmol L-1 (19.5, 36.2, and 2.8 μg L-1), resp. Under optimized conditions, relative standard deviations were generally less than 5% and enrichment factors of o-, m-, p-nitrophenol 19, 25, and 21, resp., were achieved using sample volumes of up to 24 mL. Average recoveries of o-, m-, p-nitrophenol from spiked surface water were 94, 82, and 92%, resp. The concentration of humic acid was found 6-times reduced with respect to the analyte. In addition, adding spectral background modeling allowed nitrophenol determination with precision adequate for routine anal.

Talanta published new progress about Flow. 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

Mackay, Donald published the artcileKinetic Delay in Partitioning and Parallel Particle Pathways: Under-appreciated Aspects of Environmental Transport, Category: alcohols-buliding-blocks, the main research area is hydrophobic chem kinetic delay organic medium equilibrium condition attainment; parallel particle pathway hydrophobic chem equilibrium condition attainment.

General conditions under which highly hydrophobic chems. or, more generally, chems. with high partition ratios (HPR) in water or air, may experience unexpectedly long kinetic delays in approaching equilibrium conditions with organic media are outlined. Such a hydrophobic delay for KOW, or an aerophobic delay for KOA, may be misinterpreted as being caused by a change in partitioning behavior or mechanism, resulting in development of non-linear regression models describing inter-media partitioning. The partitioning is fundamentally linear but is distorted by a kinetic delay in partitioning. To illustrate this concept, fundamental equations describing the diffusive equilibration processes, including a complementary transport mechanism termed a parallel particle pathway (PPP), were compiled. Such a mechanism may simultaneously occur, shortening the HPR delay and complicating interpretation. In addition, five examples where the HPR delay explains observed and occasionally difficult-to-interpret environmental behavior of chems., i.e., air-aerosol partitioning, chem. accumulation in indoor dust and surfaces, air/vegetation partitioning, internal transport in organisms, and fish bioaccumulation and toxicity studies, are described. The authors believe the general HPR delay and PPP issues deserve exposure as a commonly occurring, often under-appreciated process.

Environmental Science & Technology published new progress about Air. 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

Whelan, Michael J. published the artcileApplication of multimedia models for understanding the environmental behavior of volatile methylsiloxanes: Fate, transport, and bioaccumulation, Product Details of C8H18O, the main research area is review volatile methylsiloxane environmental behavior multimedia model; Environmental fate; Long-range transport potential; Multimedia fate and transport models; Persistence; Volatile methylsiloxane.

Multimedia fate and transport models (MFTMs) describe how chems. behave in the environment based on their inherent properties and the characteristics of receiving systems. We critically review the use of MFTMs for understanding the behavior of volatile methylsiloxanes (VMS). MFTMs have been used to predict the fate of VMS in wastewater treatment, rivers, lakes, marine systems, and the atm., and to assess bioaccumulation and trophic transfers. More widely, they have been used to assess the overall persistence, long-range transport potential (LRTP), and the propensity for atm.-surface exchange. The application of MFTMs for VMS requires particularly careful selection of model inputs because the properties of VMS differ from those of most organic compounds For example, although n-octanol/water partition coefficient (KOW) values are high, air:water partition coefficient (KAW) values are also high and n-octanol/air partition coefficient (KOA) values are relatively low. In addition, organic carbon/water partition coefficient (KOC) values are substantially lower than expectations based on KOW. This means that most empirical relationships between KOC and KOW are not appropriate. Good agreement between modeled and measured concentrations in air, sediment, and biota indicates that our understanding of environmental fate is reasonable. VMS compounds are “”fliers”” that principally partition to the atm., implying high LRTP, although they have low redeposition potential. They are degraded in air (half-lives 3-10 days) and, thus, have low overall persistence. In water, exposure can be limited by hydrolysis, volatilization, and partitioning to sediments (where degradation half-lives are likely to be high). In food webs, they are influenced by metabolism in biota, which tends to drive trophic dilution (i.e., trophic magnification factors are often but not always <1). Key remaining uncertainties include the following: (i) the strength and direction of the temperature dependence for KOC; (ii) the fate of atm. reaction products; and (iii) the magnitude of emissions to wastewater. Integrated Environmental Assessment and Management published new progress about Air. 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,
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Rodgers, Timothy F. M. published the artcileComment on “”A Database of Experimentally Derived and Estimated Octanol-Air Partition Ratios (KOA)”” [J. Phys. Chem. Reference Data 50, 043101 (2021)], SDS of cas: 111-87-5, the main research area is polemic octanol air partition ratio database.

A polemic in response to Baskaran et al. is provided. Baskaran et al. presented an excellent database of KOA values that will be of immense value to the field going forward. Included in their article is a thorough discussion of the techniques used to measure or estimate KOA and their strengths and limitations. We are writing because the authors call into question, on the basis of polarity, many KOA measurements made with the gas chromatog.-retention time (GC-RT) technique. Baskaran et al. supported their suggested threshold with a finding of bias between the GC-RT measured K OA values and in silico estimations Although we agree that the GC-RT method with a non-polar column should not be used for highly polar mols. and that bas- ing a decision rule on the Abraham aA and bB parameters may be reasonable, we disagree with the threshold suggested by Baskaran et al. of aA + bB > 0.5. In our view, there is inadequate exptl. evidence to support such a stringent limit at this time. In this Comment, we treated the threshold proposed as a classifier model and applied it to data from their database. This showed that the threshold of aA + bB > 0.5 had a false-pos. rate of between 50% and 70%, rejecting many data points that did not show evidence of bias. (c) 2022 American Institute of Physics.

Journal of Physical and Chemical Reference Data published new progress about Air. 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

Nedyalkova, Miroslava A. published the artcileCalculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air, Safety of n-Octanol, the main research area is partition coefficient organic solvent octanol water octanol air calculation.

Partition coefficients define how a solute is distributed between two immiscible phases at equilibrium The exptl. estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibrium is presented. The octanol/water and octanol/air partition coefficients are predicted for a group of polar solvents using d. functional theory (DFT) calculations in combination with a solvation model based on d. (SMD) and are in excellent agreement with exptl. data. Thus, the use of quantum-chem. calculations to predict partition coefficients from free energies should be a valuable alternative for unknown solvents. The obtained results indicate that the SMD continuum model in conjunction with any of the three DFT functionals (B3LYP, M06-2X, and M11) agrees with the observed exptl. values. The highest correlation to exptl. data for the octanol/water partition coefficients was reached by the M11 functional; for the octanol/air partition coefficient, the M06-2X functional yielded the best performance. To the best of our knowledge, this is the first computational approach for the prediction of octanol/air partition coefficients by DFT calculations, which has remarkable accuracy and precision.

Journal of Chemical Information and Modeling published new progress about Air. 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

Lei, Ying Duan published the artcileMeasuring the Octan-1-ol Air Partition Coefficient of Volatile Organic Chemicals with the Variable Phase Ratio Headspace Technique, Formula: C8H18O, the main research area is octanol air partition VOC variable phase ratio headspace; volatile organic compound partition octanol air.

There is a need to determine the equilibrium partition coefficient of volatile organic chems. between octan-1-ol and the gas phase, KOA, because it is being used to assess the potential for respiratory elimination from air-breathing organisms. Here we test the suitability of the variable phase ratio headspace technique for determining the KOA of volatile organic substances, using acetone, acetonitrile, Et acetate, 1,2-dichloroethane, propan-1-ol, butan-1-ol, p-xylene, trans-decalin, 1,3-dichlorobenzene, and 1,2,3,4-tetramethylbenzene as test substances. The method was found capable of measuring KOA values at temperatures between 40 and 110 °C in the range from 50 to 2000 with a relative standard error of approx. 8%. This allowed for the derivation of KOA values at 25 °C below 10 000. Higher KOA values close to the threshold for respiratory elimination of 100 000 cannot be determined reliably with this method.

Journal of Chemical & Engineering Data published new progress about Air. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts