Tag: M.W=100-150

Liu, Zhu published the artcileAn octanol hinge opens the door to water transport, Recommanded Product: n-Octanol, the main research area is octanol water transport phase boundary.

Despite their prevalent use as a surrogate for partitioning of pharmacol. active solutes across lipid membranes, the mechanism of transport across water/octanol phase boundaries has remained unexplored. Using mol. dynamics, graph theor., cluster anal., and Langevin dynamics, we reveal an elegant mechanism for the simplest solute, water. Self-assembled octanol at the interface reversibly binds water and swings like the hinge of a door to bring water into a semi-organized second interfacial layer (a “”bilayer island””). This mechanism is distinct from well-known lipid flipping and water transport processes in protein-free membranes, highlighting important limitations in the water/octanol proxy. Interestingly, the collective and reversible behavior is well-described by a double well potential energy function, with the two stable states being the water bound to the hinge on either side of the interface. The function of the hinge for transport, coupled with the underlying double well energy landscape, is akin to a mol. switch or shuttle that functions under equilibrium and is driven by the differential free energies of solvation of H2O across the interface. This example successfully operates within the dynamic motion of instantaneous surface fluctuations, a feature that expands upon traditional approaches toward controlled solute transport that act to avoid or circumvent the dynamic nature of the interface.

Chemical Science published new progress about Algorithm. 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

Qian, Jie published the artcilePredictive and explanatory themes of NOAEL through a systematic comparison of different machine learning methods and descriptors, Safety of n-Octanol, the main research area is machine learning NOAEL food additive cosmetic; Cheminformatics; Food additives; Machine learning; NOAEL; Sub-chronic; Toxicity.

No observed adverse effect level (NOAEL) is an identified dose level which used as a point of departure to infer a safe exposure limit of chems., especially in food additives and cosmetics. Recently, in silico approaches have been employed as effective alternatives to determine the toxicity endpoints of chems. instead of animal experiments Several acceptable models have been reported, yet assessing the risk of repeated-dose toxicity remains inadequate. This study established robust machine learning predictive models for NOAEL at different exposure durations by constructing high-quality datasets and comparing different kinds of mol. representations and algorithms. The features of mol. structures affecting NOAEL were explored using advanced cheminformatics methods, and predictive models also communicated the NOAEL between different species and exposure durations. In addition, a NOAEL prediction tool for chem. risk assessment is provided. We hope this study will help researchers easily screen and evaluate the subacute and sub-chronic toxicity of disparate compounds in the development of food additives in the future.

Food and Chemical Toxicology published new progress about Algorithm. 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

Hero, Eirik H. published the artcileDetermination of Breakage Parameters in Turbulent Fluid-Fluid Breakage, COA of Formula: C8H18O, the main research area is breakage particle turbulent fluid size distribution oil droplet.

Numerous sets of single-particle breakage experiments are required to provide a sufficient database for improving the modeling of fluid particle breakage mechanisms. This work focuses on the interpretation of the phys. breakage events captured on video. To extract the necessary information required for modeling the mechanisms of the fluid particle breakage events in turbulent flows, a well-defined image anal. procedure is necessary. Two breakage event definitions are considered, namely, initial breakup and cascade breakup. The reported breakage time, the number of daughter particles created, and the daughter size distribution are significantly affected by the definition used. For each breakage event definition, an image anal. procedure is presented.

Chemical Engineering & Technology published new progress about Algorithm. 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

Fang, L. published the artcileHighly selective Ru/HBEA catalyst for the direct amination of fatty alcohols with ammonia, COA of Formula: C8H18O, the main research area is ruthenium HBEA catalyst amination fatty alc ammonia.

The present study describes the synthesis of primary amines from long-chain fatty alcs. and ammonia using supported ruthenium catalysts over different acid supports, including a variety of zeolites with different topologies and Si/Al ratios. The morphol., acidity and location of ruthenium in the catalysts was studied in detail by combining XRD, BET, HR-TEM, NH3-TPD, octylamine-TPD, H2-TPR, XPS, EXAFS / XANES, 27Al MAS NMR and TGA. In particular, Ru/HBEA (Si/Al = 25) with 5 wt% Ru afforded more than 90% conversion and 90% selectivity to 1-octylamine in the liquid-phase amination reaction of 1-octanol with ammonia at 180°C in a batch reactor. The high selectivity of Ru/HBEA (Si/Al = 25) can be explained by the presence of Bronsted / Lewis acid centers with medium strength in the proximity of ruthenium nanoparticles. The catalyst was further tested in a pre-pilot continuous stirred-tank reactor (2 L) with flash separation of 1-octylamine. In this configuration, a steady 92% selectivity of octylamine was obtained at 87% 1-octanol conversion during 120 h on steam. The catalyst kept its integrity during the reaction.

Applied Catalysis, B: Environmental published new progress about Amination. 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

Niu, Feng published the artcileA multifaceted role of a mobile bismuth promoter in alcohol amination over cobalt catalysts, Application of n-Octanol, the main research area is alumina supported bismuth promoted cobalt catalyst alc amination.

Promotion with small amounts of different elements is an efficient strategy for the enhancement of the performance of many heterogeneous catalysts. Supported cobalt catalysts exhibit significant activity in the synthesis of primary amines via alc. amination with ammonia, which is an economically efficient and environmentally friendly process. Insufficient selectivity to primary amines, low activity and fast cobalt catalyst deactivation remain serious issues restricting the application of alc. amination in the industry. In this work, we have discovered the multifaceted role of the bismuth promoter, which is highly mobile under reaction conditions, in 1-octanol amination over supported cobalt catalysts. First, the overall reaction rate was enhanced more than twice on promotion with bismuth. Second, the selectivity to primary amines increased 6 times in the presence of Bi at high alc. conversion. Finally, the bismuth promotion resulted in extremely high stability of the cobalt catalyst. Characterization by XRD, temperature programmed reduction, STEM, CO chemisorption, BET, TGA and FTIR has showed that the enhancement of the catalytic performance on promotion with bismuth is due to better cobalt reducibility, easy removal of strongly adsorbed intermediates and products by the mobile promoter and suppression of amine coupling reactions resulting in secondary and tertiary amines.

Green Chemistry published new progress about Amination. 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

Ibanez, J. published the artcileDirect amination of 1-octanol with NH3 over Ag-Co/Al2O3: Promoting effect of the H2 pressure on the reaction rate, Product Details of C8H18O, the main research area is silver cobalt alumina ammonia octanol direct amination reaction rate.

The kinetics of the direct gas-phase amination reaction of 1-octanol with ammonia was studied over a Ag-Co/Al2O3 catalyst. An exhaustive exptl. dataset was acquired on a Flowrence unit using a full factorial exptl. design, covering the effect and interactions of the 1-octanol, ammonia and hydrogen partial pressures in the range 160-180 °C. An apparent zero order was obtained for both reactants (i.e. 1-octanol and NH3), addressing alc. dehydrogenation as the rate-determining step of the overall catalytic process. Most interestingly, a non-trivial pos. effect of the exogeneous H2 pressure was observed on the 1-octanol conversion, also favoring the formation of the secondary amine. To unveil the promoting role of H2 on the reaction rate, a comprehensive kinetic modeling study was carried out. Based on the observed exptl. trends, various kinetic models were proposed relying on an in situ catalytic deactivation-regeneration mechanism of the catalyst surface. Upon statistical discrimination, a robust kinetic model could be obtained, pointing out the adsorbed octylimine intermediate as the most plausible source of deactivation. The kinetic model afford an excellent description of the observed exptl. trends at both low and high 1-octanol conversion and provides a sound mechanistic explanation accounting for the unexpected role of H2 on alc. amination reactions.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Amination. 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

Lee, Hyun-Jung published the artcilePerformance improvement of slot-die-deposition based perovskite solar cells using diglycolic acid additives, COA of Formula: C4H6O5, the main research area is diglycolic acid slot die deposition perovskite solar cell.

In slot-die-coating process, novel approaches for better perovskite film formation were continuously required. Here, we studied additive processes for better slot-die-processed perovskite fabrication. As a novel additive, we introduced diglycolic acid (DA) material having a carboxyl group, well known as an effective functional group. With adding optimal amount of DA in the perovskite precursor solution, device efficiency and stability were all improved; DA-based perovskite device showed the best PCE of 14.63%. Moreover, the DA-based devices showed superior long-term stability guaranteeing 80% of initial efficiency during 95 days.

Materials Letters published new progress about Annealing. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, COA of Formula: C4H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Feng, Mi published the artcileDirect conversion of shrimp shells to O-acylated chitin with antibacterial and anti-tumor effects by natural deep eutectic solvents, Product Details of C4H6O5, the main research area is shrimp shell acylated chitin antibacterial antitumor deep eutectic solvent.

To obtain O-acylated chitin from shrimp shells directly, the used solvent should have multiple functions to remove calcium carbonate, protein, and acylated chitin. Herein, we use the acidic natural deep eutectic solvents (NADESs) with the ability to release H+ and various hydrogen bonding sites to achieve the above goal. The involved NADESs with three abilities of decalcification, deproteinization and acylation replaced acids, alkalis, catalysts, and acylation reagents in the conventional method. The exptl. results revealed that the components of the NADESs, experiment temperature and time played key roles in the purity and degree of substitution (DS) of O-acylated chitin. Meanwhile, the ratio of shrimp shells to NADESs and a small amount of water had little effect on the preparation of O-acylated chitin. With the optimal NADES (choline chloride/DL-malic acid 1 : 2, ChCl 1-DL Mal 2) treatment under the optimal conditions, the purity of O-malate chitin reached 98.6% with a DS of 0.46, exhibiting antibacterial and anti-tumor effects. The exptl. results showed that the removal of calcium carbonate and protein and acylation of chitin were carried out simultaneously. Mechanistic exploration using spectroscopy and experiments confirmed that H+ release from ChCl 1-DL Mal 2 was the main reason for the removal of calcium carbonate and initiation acylation reaction. The protein was degraded to amino acids because of the acidity of ChCl 1-DL Mal 2 and dissolved in the NADES due to hydrogen bonding formation with ChCl 1-DL Mal 2.

Green Chemistry published new progress about Acylation. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Product Details of C4H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Van Damme, Ryan published the artcileChemical reversible crosslinking enables measurement of RNA 3D distances and alternative conformations in cells, Synthetic Route of 110-99-6, the main research area is RNA 3D measurement reversible crosslinking cell conformation.

Three-dimensional (3D) structures dictate the functions of RNA mols. in a wide variety of biol. processes. However, direct determination of RNA 3D structures in vivo is difficult due to their large sizes, conformational heterogeneity, and dynamics. Here we present a method, Spatial 2-Hydroxyl Acylation Reversible Crosslinking (SHARC), which uses chem. crosslinkers of defined lengths to measure distances between nucleotides in cellular RNA. Integrating crosslinking, exonuclease (exo) trimming, proximity ligation, and high throughput sequencing, SHARC enables transcriptome-wide tertiary structure contact maps at high accuracy and precision, revealing heterogeneous RNA structures and interactions. SHARC data provide constraints that improves Rosetta-based RNA 3D structure modeling at near-nanometer resolution Integrating SHARC-exo with other crosslinking-based methods, we discover compact folding of the 7SK RNA, a critical regulator of transcriptional elongation. These results establish a strategy for measuring RNA 3D distances and alternative conformations in their native cellular context.

Nature Communications published new progress about Acylation. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Synthetic Route of 110-99-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Gerdt, Philipp published the artcileAlternating Terpolymers through Cyclopolymerization and Subsequent Orthogonal Functionalization, Quality Control of 22483-09-6, the main research area is alternating terpolymer cyclopolymn orthogonal functionalization; Alternating Polymerization; Orthogonal Functionalization; Postmodification; RAFT Polymerization; Radical Polymerization.

A method for the synthesis of functionalized alternating copolymers by reversible deactivation radical polymerization was developed. Copolymerization by reversible addition-fragmentation chain transfer of hexenyl vinyl ether with a novel fluorinated divinyl monomer yields alternating cyclopolymers that can be chemoselectively modified by three distinct orthogonal functionalization reactions. Along the thiol-ene click reaction and amidation, a third functionalization was achieved via NHC-catalyzed transesterification or acylation resulting in a small library of ABC-type alternating terpolymers.

Angewandte Chemie, International Edition published new progress about Acylation. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Quality Control of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts