Author: tianli

Sabatino, Spencer J. published the artcilePredicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol, Category: alcohols-buliding-blocks, the main research area is octanol water drug like compound partition mol simulation saturation; Partition coefficient; SAMPL7; Solvation free energy; log P.

Blind predictions of octanol/water partition coefficients at 298.15 K for 22 drug-like compounds were made for the SAMPL7 challenge. The octanol/water partition coefficients were predicted using solvation free energies computed using mol. dynamics simulations, wherein we considered the use of both pure and water-saturated 1-octanol to model the octanol-rich phase. Water and 1-octanol were modeled using TIP4P and TrAPPE-UA, resp., which have been shown to well reproduce the exptl. mutual solubility, and the solutes were modeled using GAFF. After the close of the SAMPL7 challenge, we addnl. made predictions using TIP4P/2005 water. We found that the predictions were sensitive to the choice of water force field. However, the effect of water in the octanol-rich phase was found to be even more significant and non-negligible. The effect of inclusion of water was addnl. sensitive to the chem. structure of the solute.

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

Jiang, Jieke published the artcileContinuous High-Throughput Fabrication of Architected Micromaterials via In-Air Photopolymerization, SDS of cas: 7575-23-7, the main research area is throughput fabrication architected micromaterial indium air photopolymerization; in-air photopolymerization; liquid jets; microfibers; microparticles; shape control.

Recent advances in optical coding, drug delivery, diagnostics, tissue engineering, shear-induced gelation, and functionally engineered rheol. crucially depend on microparticles and microfibers with tunable shape, size, and composition However, scalable manufacturing of the required complex micromaterials remains a long-standing challenge. Here in-air polymerization of liquid jets is demonstrated as a novel platform to produce microparticles and microfibers with tunable size, shape, and composition at high throughput (>100 mL h-1 per nozzle). The polymerization kinetics is quant. investigated and modeled as a function of the ink composition, the UV light intensity, and the velocity of the liquid jet, enabling engineering of complex micromaterials in jetting regimes. The size, morphol., and local chem. of micromaterials are independently controlled, as highlighted by producing micromaterials using 5 different photopolymers as well as multi-material composites. Simultaneous optimization of these control parameters yields rapid fabrication of stimuli-responsive Janus fibers that function as soft actuators. Finally, in-air photopolymerization enables control over the curvature of printed droplets, as highlighted by high-throughput printing of microlenses with tunable focal distance. The combination of rapid processing and tunability in composition and architecture opens a new route toward applications of tailored micromaterials in soft matter, medicine, pharmacy, and optics.

Advanced Materials (Weinheim, Germany) published new progress about Drugs. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, SDS of cas: 7575-23-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Linnartz, Christian J. published the artcileAbout a Membrane with Microfluidic Porous-Wall Channels of Cylindrical Shape for Droplet Formation, Formula: C8H18O, the main research area is microfluidic droplet formation.

A low-energy emulsification process is hollow-fiber emulsification. In this process, the lumen diameter of the membrane mostly determines the droplet size. To gain smaller droplets, approaches for downsizing the inner diameter of membranes have to be carried out. In this work, we describe a new method for the fabrication of parallel microfluidic porous-wall channels of a homogeneous cylindrical shape with lumen diameters down to 7μm. Parallel and sym. porous-wall channels are induced into polyvinylidene fluoride membranes during the casting process. The technique comprises liquid-induced phase separation and phase-separation micromolding using thin glass and carbon fibers as molds and an inhouse designed tool to position the fibers. The channel positioning and alignment are verified within this work. We show and investigate the droplet formation in these porous-wall channels via hollow-fiber emulsification. The formed droplets are very small in diameter and size distribution. The droplet formation at varying flow rates and channel diameters is examined in detail. Moreover, an area of sufficient operating conditions is given using Weber and capillary numbers As a numbering-up approach, we show the simultaneous formation of spherical droplets in two parallel channels. With the proposed membrane fabrication using micromolding, we push the downscaling approach of hollow-fiber emulsification to lower micron ranges of the channel diameter With these small channels, droplets with a diameter down to 25μm were produced, which are more attractive for most applications.

Langmuir published new progress about Drops. 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

Li, Miaosi published the artcileAutomated Femtoliter Droplet-Based Determination of Oil-Water Partition Coefficient, Application of n-Octanol, the main research area is femtoliter droplet oil water partition coefficient.

The oil-water partition coefficient of organic compounds is an essential parameter for the determination of their behaviors in environments, food, drug delivery, and biomedical systems, just to name a few. In this work, we establish a highly efficient approach to quantify the partition/distribution coefficient using surface femtoliter droplets. In our approach, droplets of 1-octanol were produced on the surface of a solid substrate in contact with the flow of an aqueous solution of the analyte. The analyte was rapidly enriched in the droplets from the flow and reached the partition equilibrium in a few seconds. The entire procedure was automated by continuous solvent exchange, and the analyte partition in the droplets was quantified from the in situ UV-vis spectrum collected by a microspectrophotometer. Our approach was validated for several substances with the octanol-water partition/distribution coefficient ranging from -1.5 to 4, where our results were in good agreement with the values reported in the literature. This method took ∼3 min to detect one analyte with the volume of the organic solvent at ∼50 μL. Thus, our surface droplet platform can greatly minimize the consumption of both solvent and analytes and can shorten the time for the determination of the partition of new compounds, which overcomes the drawbacks of the traditional shake-flask method and presents excellent reproducibility, high accuracy, cost-effectiveness, and labor-saving operation. The highly efficient micro/nanoextn., partition, and real-time detection enabled by the surface droplets has the potential for many other high-throughput applications.

Analytical Chemistry (Washington, DC, United States) published new progress about Drops. 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

Cheng, Kezi published the artcilePhotoswitchable Covalent Adaptive Networks Based on Thiol-Ene Elastomers, Synthetic Route of 7575-23-7, the main research area is photoswitchable covalent adaptive network thiol ene elastomer; adhesives; click chemistry; covalent adaptive network; elastomer chemistry; photoresponsive materials; self-healing.

Covalent adaptive networks combine the advantages of cross-linked elastomers and dynamic bonding in a single system. In this work, we demonstrate a simple one-pot method to prepare thiol-ene elastomers that exhibit reversible photoinduced switching from an elastomeric gel to fluid state. This behavior can be generalized to thiol-ene cross-linked elastomers composed of different backbone chemistries (e.g., polydimethylsiloxane, polyethylene glycol, and polyurethane) and vinyl groups (e.g., allyl, vinyl ether, and acrylate). Photoswitching from the gel to fluid state occurs in seconds upon exposure to UV light and can be repeated over at least 180 cycles. These thiol-ene elastomers also exhibit the ability to heal, remold, and serve as reversible adhesives.

ACS Applied Materials & Interfaces published new progress about Creep. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, Synthetic Route of 7575-23-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kini, Rajesh published the artcileInvestigating the suitability of Isomalt and liquid glucose as sugar substitute in the formulation of Salbutamol sulfate hard candy lozenges, Formula: C12H24O11, the main research area is glucose hard candy lozenge sulbutamol sulfate isomalt hardness thickness.

The present investigation aims to design, prepare and evaluate the medicated hard candy lozenges of Salbutamol sulfate for pediatric, geriatric and Dysphagic patients and to investigate the suitability of Isomalt and/or liquid glucose as the sugar substitute in the prepared lozenges. The candy based lozenges were prepared by heating and congealing method in a candy based industry on request with sugar base, glycerin, citric acid artificial flavors and colors and other essential excipients. The prepared medicated lozenges were characterized for drug content uniformity, hardness, thickness, weight variation, friability, moisture content, in vitro disintegration and dissolution by pharmaceutical standard methods. Accelerated stability study conducted as per ICH guidelines (zone IV) at 45°C and 75% relative humidity over a period of seven weeks found that there wasn’t any substantial interaction between the drugs, flavor and color and the prepared formulations were stable.

Journal of Chemical and Pharmaceutical Research published new progress about Color. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, Formula: C12H24O11.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Patel, Dasharath M. published the artcileFormulation and evaluation of diphenhydramine hydrochloride lozenges for treatment of cough, Application of (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, the main research area is diphenhydramine hydrochloride lozenge drug formulation delivery system cough.

Objective: Diphenhydramine hydrochloride was formulated as lozenges to provide effective release for the management of cough. Many dosage forms like syrups, tablets, capsules are available in the market but still there is a need for new dosage forms which acts effectively and locally. Present investigation was undertaken to formulate and evaluate lozenges to meet the need of improved bioavailability by avoiding hepatic first pass metabolism of the drug. Exptl. Work: The lozenges were formulated using various sugars like mannitol, dextrose, sucrose and isomalt. Polyethylene glycol 200, propylene glycol and glycerin were tested as plasticizer in formulation. The prepared formulations were subjected to various evaluation parameters. After completion of stability study for a period of 1 mo, the optimized formulation was subjected to evaluation parameters. Results and Discussion: Lozenges formulated using isomalt and 0.1 mL glycerin remained as hard candy, while lozenges were not formed with any other sugar. The optimized formulation showed a hardness of around 15 kg/cm2; drug content and content uniformity of 97 % and in vitro drug release of more than 99 % within 20 min. After stability study, it was found that the lozenges were not altered in terms of above parameters and were stable. Conclusion: From the present work, it was concluded that the isomalt can be successfully used as tooth friendly sugar substitute in the formulation of medicated lozenges and glycerin can be used as a plasticizer to give better appearance. The molded lozenges can provide an attractive alternative formulation in the alleviation of cough.

World Journal of Pharmacy and Pharmaceutical Sciences published new progress about Color. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, Application of (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hossain, Yousuf Md. published the artcileEffluent-free deep dyeing of cotton fabric with cacao husk extracts using the Taguchi optimization method, Safety of n-Octanol, the main research area is cotton fabric cacao husk extract deep dyeing Taguchi optimization.

Textile dyehouses are under scrutiny because they discharge colored and hazardous effluents to waterways. There is a need to develop an alternative dyeing system that does not produce any hazardous effluent. The waterless dyeing method could be a viable eco-friendly alternative to the traditional aqueous dyeing method. In this work, cacao husk extracts were used as a natural dye in the decamethylcyclopentasiloxane (D5) medium for the dyeing of cotton fabric, and subsequently, the dyed cotton was treated by a fixation treatment with a cationic dye-fixing agent in the D5 medium. The cotton fabric dyed with cacao husk extracts exhaustion in the waterless D5 medium exhibited better exhaustion, fixation rate, color strength (K/S), and colorfastness to washing and rubbing compared to the fabric dyed with the same extracts using the conventional aqueous dyeing and dye-fixing methods. The dye exhaustion percentage and the dye fixation rate were 95.6% and 94.8% in the D5 medium resp., which is significantly higher in comparison to a 48.2% dye exhaustion percentage and a 35.3% dye fixation rate in the conventional water medium. An orthogonal array design (L9) was adopted to optimize the dyeing conditions with respect to exhaustion percentage. The results indicated that the dyebath temperature was the most important factor for achieving the optimal dye exhaustion, and dyeing time also showed considerable effects. Linear regression was used to predict the exhaustion percentage, and the resulting p value of 0.000 demonstrated that a strong coefficient was proven among all selected factors. This study has demonstrated that dyeing of cotton fabric with cacao husk extracts in the D5 dyeing system can be a viable method for the textile industry with minimal environmental pollution.

Cellulose (Dordrecht, Netherlands) published new progress about Color. 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

Raudonus, J. published the artcileEffect of oligomeric or polymeric additives on glass transition, viscosity and crystallization of amorphous isomalt, Product Details of C12H24O11, the main research area is isomalt crystallization glass transition viscosity polyol.

A study was made to further improve the stability of the amorphous state of isomalt by the addition of high mol. weight compounds Differential scanning calorimetry (DSC) was used to determine the glass transition temperature Tg of a series of polyol mixtures containing isomalt as a function of water content. As expected, for each mixture Tg decreased with increasing moisture. Only with the addition of more than 75% of higher mol. weight compounds to isomalt an increase of Tg could be achieved. Moisture content and time dependent phase transitions in the metastable amorphous state of the mixtures strongly affect the storage stability of isomalt hard candies. Storage tests indicated a markedly accelerated water absorption and crystallization when oligomeric or polymeric compounds were added to amorphous isomalt. Rheol. experiments showed that in contrast to pure isomalt melts, the viscosity of melts containing oligomeric or polymeric additives deviated from the model curve predicted by the Williams-Landel-Ferry-kinetics (WLF) with increasing water content.

Food Research International published new progress about Candy. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, Product Details of C12H24O11.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Koh, Dong-wan published the artcileA rapid method for simultaneous quantification of 13 sugars and sugar alcohols in food products by UPLC-ELSD, COA of Formula: C12H24O11, the main research area is sugar alc candy gum chocolate UPLC ELSD; ELSD; Foodstuffs; Sugar; Sugar alcohol; UPLC.

A novel, rapid, simultaneous anal. method for five sugars (fructose, glucose, sucrose, maltose, and lactose) and eight sugar alcs. (erythritol, xylitol, sorbitol, mannitol, inositol, maltitol, lactitol, and isomalt) was developed using UPLC-ELSD, without derivatization. The anal. conditions, including the gradient conditions, modifier concentration and column length, were optimized. Thirteen sugars and sugar alcs. were separated well and the resolution of their peaks was above 1.0. Their optimum anal. condition can be analyzed within 15 min. Standard curves for sugars and sugar alcs. with concentrations of 5.0-0.1% and 2.0-0.05% are presented herein, and their correlation coefficients are found to be above 0.999 and the limit of detection (LOD) was around 0.006-0.018%. This novel anal. system can be used for foodstuffs such as candy, chewing gum, jelly, chocolate, processed chocolate products, and snacks containing 0.21-46.41% of sugars and sugar alcs.

Food Chemistry published new progress about Candy. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, COA of Formula: C12H24O11.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts