Tag: M.W=100-150

Shen, Zhongjing published the artcileFabrication of hollow cube dual-semiconductor Ln2O3/MnO/C nanocomposites with excellent microwave absorption performance, SDS of cas: 110-99-6, the main research area is lanthanide oxide carbon manganese semiconductor nanocomposite microwave absorption; 3d-4f metal−organic frameworks; band gap; dual-semiconductor; hollow structure; microwave absorption.

Metal-organic frameworks (MOFs) have been verified as ideal precursors for preparing highly effective microwave absorbers. However, it is still challenging to fabricate a thin, lightweight, and well-organized nanostructure with strong microwave absorption (MA) capability and wide absorption bandwidth. In this study, hollow cube dual-semiconductor Ln2O3/MnO/C (Ln = Nd, Gd, Er) nanocomposites, which are effective microwave absorbers, have been fabricated via one-step high-temperature carbonization of Ln-Mn-MOFs. The effect of band gap on the MA performance of various nanocomposites synthesized at the same carbonization temperature is investigated. Gd2O3/MnO/C-800 shows superior MA capacity with maximum reflection loss (RLmax) of -64.4 dB at 12.8 GHz and 1.86 mm-thickness. When the thickness is 1.44 mm, the RL value is obtained as -52.7 dB at 16.8 GHz, and at a low frequency of 4.36 GHz and thickness of 4.59 mm, the RL value reaches -56.4 dB. Further, the effect of temperature on the MA properties of Gd2O3/MnO/C is examined The results reveal that Gd2O3/MnO/C-700 has an ultrahigh MA bandwidth of 6.6 GHz, covering the entire Ku bands at 2.09 mm-thickness. Overall, this work demonstrates a facile strategy to construct hollow, homogeneous ternary composites with outstanding MA performance.

ACS Applied Materials & Interfaces published new progress about Band gap. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, SDS of cas: 110-99-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Daquan published the artcileInhibition effect and theoretical investigation of dicarboxylic acid derivatives as corrosion inhibitor for aluminium alloy, SDS of cas: 97-67-6, the main research area is AA5052 alloy aspartic malic acid corrosionn inhibitor.

The corrosion inhibition ability of L-malic acid (MaA) and L-aspartate acid (AsA) against corrosion of the AA5052 alloy in 4 M sodium hydroxide-ethylene glycol solution is investigated. The presence of MaA and AsA in corrosion solution shows a remarkable inhibition of hydrogen evolution of the AA5052 alloy. AsA has the better inhibition effect for the self-corrosion of the AA5052 alloy and its max protection efficiency is 82.1%. This shows that the Mulliken charges of the nitrogen atom of the amine group on the AsA is lower than the Mulliken charge of the oxygen atom of the hydroxyl group on the MaA; the total Mulliken charge of AsA is lower than MaA, and AsA has a higher EHOMO and a lower energy gap, ΔN. The amine group and carboxyl group on the AsA is easier to coordinate with Al3+ ions to form a stable complex.

Materials and Corrosion published new progress about Band gap. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, SDS of cas: 97-67-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Vasanthi, T. published the artcileExperimental observation of induced thermochromic effect and nematic defects in hydrogen bonded liquid crystals, Application of 2,2′-Oxydiacetic acid, the main research area is hydrogen bond crystal temperature band gap energy.

Hydrogen bonded liquid crystal mixtures are derived from: (i) non-mesogenic compounds of diglycolic acid (DGA), (ii) mesogenic compounds of 4-amyloxybenzoic acid (5OBA) and (iii) 4-hexyloxy benzoic acid (6OBA). The existence of intermol. H-bond is confirmed with FTIR and validated using the d. functional theory studies. Polarized light microscopy and differential scanning calorimetry are used to observe the phase variations and transition temperature In addition, enthalpy values of different mesogenic phases are determined It is worth mentioning that the nematic mesogenic defects with S = ±1 and S = +1/2 are also analyzed. In order to discuss the induced higher order smectic F phase and its stability, the d. functional theory study is applied. The band gap energy of the hydrogen bonded liquid crystal mixtures is found to be 5.1780 eV, based on the HUMO-LUMO approach. This induced thermochromic effect of hydrogen bonded liquid crystal mixtures is a useful phenomenon that can be utilized in optical device applications. In this paper, variation on liquid crystal parameters as well as the formation of H-bond between an acceptor and a donor, along with the extension of a chain length, are also reported.

Acta Physica Polonica A published new progress about Band gap. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Application of 2,2′-Oxydiacetic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lopez, Kenneth published the artcileMultiple linear regression models for predicting the n-octanol/water partition coefficients in the SAMPL7 blind challenge, HPLC of Formula: 111-87-5, the main research area is octanol water sulfonamide partition coefficient; Empirical methods; Multiple linear regression; N-sulfonamides; SAMPL7 blind challenge; n-Octanol/water partition coefficients.

A multiple linear regression model called MLR-3 is used for predicting the exptl. n-octanol/water partition coefficient (log PN) of 22 N-sulfonamides proposed by the organizers of the SAMPL7 blind challenge. The MLR-3 method was trained with 82 mols. including drug-like sulfonamides and small organic mols., which resembled the main functional groups present in the challenge dataset. Our model, submitted as “”TFE-MLR””, presented a root-mean-square error of 0.58 and mean absolute error of 0.41 in log P units, accomplishing the highest accuracy, among empirical methods and also in all submissions based on the ranked ones. Overall, the results support the appropriateness of multiple linear regression approach MLR-3 for computing the n-octanol/water partition coefficient in sulfonamide-bearing compounds In this context, the outstanding performance of empirical methodologies, where 75% of the ranked submissions achieved root-mean-square errors < 1 log P units, support the suitability of these strategies for obtaining accurate and fast predictions of physicochem. properties as partition coefficient of bioorganic compounds Journal of Computer-Aided Molecular Design published new progress about Molecules. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, HPLC of Formula: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kolobova, E. published the artcileSelective oxidation of n-octanol on unmodified and La-modified nanogold catalysts: Effect of metal content, Synthetic Route of 111-87-5, the main research area is gold titania lanthanum catalyst octanol oxidation.

We investigated the influence of metal loading in gold catalysts supported on titania, either unmodified or La-modified, on their catalytic performance and the formation of active sites for selective oxidation of n-octanol under mild conditions. Catalysts were characterized by BET, EDX, ICP, HRTEM, FTIR CO and XPS. Gold content had a significant effect on the catalytic properties of unmodified catalysts: activity of Au/TiO2 increased by increasing the metal load. However, in the case of a lanthanum-modified support samples, an increase of gold content from 0.5 to 4 weight% had no effect on its activity (ca. 40% conversion after 6 h for all catalysts). This catalytic behavior is due to a change in the surface concentration of Au+ ions. For the unmodified catalysts, the surface concentration of Au+ ions increased with increasing gold loading, and, as a consequence, a significant increase in activity was observed For La-modified catalysts, the surface concentration of Au+ ions is almost the same for all gold concentrations; as a result, no increase in activity was observed with the increase in gold content. It points to Au+ ions as the most probable active sites for the studied reaction.

Catalysis Today published new progress about Oxidation. 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

Ogden, Phillip B. published the artcileReversed phase HPLC with high temperature ethanol/water mobile phases as a green alternative method for estimation of octanol/water partition coefficients, Recommanded Product: n-Octanol, the main research area is high temperature liquid chromatog ethanol water mobile phase; octanol partition coefficient linear solvation energy relationship; Ethanol/water mobile phases; High temperature liquid chromatography; Linear solvation energy relationships; Octanol/water partition coefficient; Snyder-soczewinski equation.

High temperature ethanol/water was explored as a green eluent in the reversed-phase liquid chromatog. approximation of pure water retention (log kw) and subsequent estimation of the octanol/water partition coefficient (log P) via the Collander equation and the Leave-One-Out method. As part of this work, linear solvation energy relationships were employed to compare the log kw extrapolated systems based on high temperature ethanol/water, ambient acetonitrile/water, and ambient methanol/water mobile phases. Based on the comparisons of the three organic modifiers, high temperature ethanol/water mobile phases were observed to provide the best estimation of log P. This conclusion is based on a high log P correlation of 0.968 R2 and a near unity cos θ value of 0.997 between LSER coefficient vectors of ethanol/water estimated log P and octanol/water log P systems. The method employed in this work, further, provided high correlation for the hydrogen-bonding basicity term between the two systems.

Journal of Chromatography A published new progress about Partition. 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

Hanson, Kaila B. published the artcileEstimating n-octanol-water partition coefficients for neutral highly hydrophobic chemicals using measured n-butanol-water partition coefficients, Category: alcohols-buliding-blocks, the main research area is octanol butanol water partition coefficient; Collander equation; n-Butanol/water partition coefficients; n-octanol/water partition coefficients (K(OW)).

Direct measurement of the n-octanol partition coefficients (KOW) for highly hydrophobic organic chems. is extremely difficult because of the extremely low concentrations present in the water phase. n-Butanol/water partition coefficients (KBW) are generally much lower than KOW due to the increased solubility of solute in the alc. saturated aqueous phase, and therefore become easier to measure. We measured the KBW for 25 neutral organic chems. having measured log KOWs ranging from 2 to 9 and 4 addnl. highly hydrophobic chems., with unmeasured KOWs, having estimated log KOWs ranging from 6 to 18. The measured log KBW and log KOW values were linearly related, r2 = 0.978, and using the regression developed from the data, KOWs were predicted for the 4 highly hydrophobic chems. with unmeasured KOWs. The resulting predictions were orders of magnitude lower than those predicted by a variety of computational models and suggests the estimates of KOW in the literature for highly hydrophobic chems. (i.e., log KOW greater than 10) are likely incorrect by several orders of magnitude.

Chemosphere published new progress about Partition. 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

Hodges, Geoff published the artcileA comparison of log Kow (n-octanol-water partition coefficient) values for non-ionic, anionic, cationic and amphoteric surfactants determined using predictions and experimental methods, COA of Formula: C8H18O, the main research area is partition coefficient surfactant prediction.

Surfactants are widely used across the globe both in industrial and consumer products. The n-octanol/water partition ratio or coefficient (log Kow) and n-octanol/water distribution coefficient (log D) are key parameters in environmental risk assessment of chems. as they are often used to estimate the environmental fate and bioavailability and thus exposure and toxicity of a compound Determining log Kow data for surfactants is a tech. challenge due to their amphiphilic properties. Currently several existing exptl. OECD methods (e.g. slow-stirring, HPLC, solubility ratio) and QSPR models are available for log Kow/D measurement or prediction. However, there are concerns that these methods have not been fully validated for surfactants and may not be applicable due to the specific phase behavior of surfactants. Results: The current methods were evaluated for the four surfactant classes (non-ionic, anionic, cationic and amphoteric). The solubility ratio approach, based on comparative n-octanol and water solubility measurements, did not generate robust or accurate data. The HPLC method generates consistently higher log Kow values than the slow-stirring method for non-ionics, but this pos. bias could be removed using reference surfactants with log Kow values determined using the slow-stirring method. The slow-stirring method is the most widely applicable exptl. method for generating log Kow/D data for all the surface-active test compounds Generally, QSPR-predicted log Kow/D values do not correlate well with exptl. values, apart for the group of non-ionic surfactants. Relatively, large differences in predicted log Kow/D values were observed when comparing various QSPR models, which were most noticeable for the ionised surfactants. Conclusions: The slow-stirring method is the most widely applicable exptl. method for generating log Kow/D data for all the four surfactant classes. A weight of evidence approach is considered appropriate for non-ionic surfactants using exptl. and model predications. However, it is more difficult to apply this approach to ionisable surfactants. Recommendations are made for the preferred existing QSPR predictive methods for determination of log Kow/D values for the surfactant classes. Investigation of newer alternative exptl. log Kow methods as well as more biol. relevant and methodol. defensible alternative methods for describing partitioning of surfactants are recommended.

Environmental Sciences Europe published new progress about Partition. 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

Napolitano, Gaetana published the artcileOxidative damage and mitochondrial functionality in hearts from KO UCP3 mice housed at thermoneutrality, Formula: C4H6O5, the main research area is UCP oxidative damage heart mitochondria thermoneutrality phosphorylation; Calnexin; EIF2α; GRP78 BIP; Heart; Hsp 60; Mitochondrial complexes; Oxidative stress; Oxygen consumption; Thermoneutrality; UCP3.

The antioxidant role of mitochondrial uncoupling protein 3 (UCP3) is controversial. This work aimed to investigate the effects of UCP3 on the heart of mice housed at thermoneutral temperature, an exptl. condition that avoids the effects of thermoregulation on mitochondrial activity and redox homeostasis, preventing the alterations related to these processes from confusing the results caused by the lack of UCP3. WT and KO UCP3 mice were acclimatized at 30°C for 4 wk and hearts were used to evaluate metabolic capacity and redox state. Tissue and mitochondrial respiration, the activities of the mitochondrial complexes, and the protein expression of mitochondrial complexes markers furnished information on mitochondrial functionality. The levels of lipid and protein oxidative damage markers, the activity of antioxidant enzymes, the reactive oxygen species levels, and the susceptibility to in vitro Fe-ascorbate-induced oxidative stress furnished information on redox state. UCP3 ablation reduced tissue and mitochondrial respiratory capacities, not affecting the mitochondrial content. In KO UCP3 mice, the mitochondrial complexes activities were lower than in WT without changes in their content. These effects were accompanied by an increase in the level of oxidative stress markers, ROS content, and in vitro susceptibility to oxidative stress, notwithstanding that the activities of antioxidant enzymes were not affected by UCP3 ablation. Such modifications are also associated with enhanced activation/phosphorylation of EIF2α, a marker of integrated stress response and endoplasmic reticulum stress (GRP778 BIP). The lack of UCP3 makes the heart more prone to oxidative insult by reducing oxygen consumption and increasing ROS. Our results demonstrate that UCP3 helps the cell to preserve mitochondrial function by mitigating oxidative stress.

Journal of Physiology and Biochemistry published new progress about Ablation. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Formula: C4H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Yi-Fan published the artcileTreatment of particle/gas partitioning using level III fugacity models in a six-compartment system, HPLC of Formula: 111-87-5, the main research area is particle gas partitioning fugacity model six compartment system; Equilibrium; Fugacity model; Particle/gas partition; SVOCs; Steady state.

In this paper, two level III fugacity models are developed and applied using an environmental system containing six compartments, including air, aerosols, soil, water, suspended particulate matters (SPMs), and sediments, as a “”unit world””. The first model, assumes equilibrium between air and aerosols and between water and SPMs. These assumptions lead to a four-fugacity model. The second model removes these two assumptions leading to a six-fugacity model. The two models, compared using four PBDE congeners, BDE-28, -99, -153, and -209, with a steady flux of gaseous congeners entering the air, lead to the following conclusions. 1. When the octanol-air partition coefficient (KOA) is less than 1011.4, the two models produce similar results; when KOA > 1011.4, and especially when KOA > 1012.5, the model results diverge significantly. 2. Chems. are in an imposed equilibrium in the four-fugacity model, but in a steady state and not necessary an equilibrium in the six-fugacity model, between air and aerosols. 3. The results from the six-fugacity model indicate an internally consistent system with chems. in steady state in all six compartments, whereas the four-fugacity model presents an internally inconsistent system where chems. are in equilibrium but not a steady state between air and aerosols. 4. Chems. are mass balanced in air and aerosols predicted by the six-fugacity model but not by the four-fugacity model. If the mass balance in air and aerosols is achieved in the four-fugacity model, the condition of equilibrium between air and aerosols will be no longer valid.

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts