Category: 111-29-5

Sugiyama, Fuya; Iwamoto, Shinji published an article in 2020, the title of the article was Morphology and pore structure of zirconia particles preparedby the thermal treatment of zirconium tetra-n-propoxide in glycols.Category: alcohols-buliding-blocks And the article contains the following content:

Zirconia particles were prepared by thermal treatment of zirconium(IV) tetra-n-propoxide (ZNP) in C2-C6 glycols (Glycothermal method) at 300掳C and morphol. and pore structures of the products were examined Xray diffraction results revealed that nanocrystals of tetragonal zirconia phase were mainly obtained in all cases. However, the morphol. and pore structures of the products were quite different depending on the glycols used. The products prepared in 1,4-butanediol (1,4-BG) were spherical particles with ca. 5渭 m size while aggregations of fine particles were observed for other glycols. The samples obtained in 1,4-BG had large surface areas and showed narrow pore-size distributions in the mesopore region. To investigate the formation process of the products having such a unique morphol. and pore system, the mixtures of ZNP and glycols were heated at lower temperatures It was found that the thermal reaction of ZNP in 1,4-BG at 200掳C afforded intermediates with layered structures, which subsequently changed into nanocrystalline ZrO2 at elevated temperatures These stepwise crystallization processes attribute to the unique morphol. and pore system of the products obtained by the thermal treatment of ZNP in 1,4-BG. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Category: alcohols-buliding-blocks

The Article related to zirconia tetra n propoxide glycol thermal treatment pore structure, Ceramics: Ceramics and other aspects.Category: alcohols-buliding-blocks

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On February 1, 2021, Zhong, Shifa; Zhang, Kai; Wang, Dong; Zhang, Huichun published an article.Computed Properties of 111-29-5 The title of the article was Shedding light on “Black Box” machine learning models for predicting the reactivity of HO路 radicals toward organic compounds. And the article contained the following:

Developing quant. structure-activity relationships (QSARs) is an important approach to predicting the reactivity of HO radicals toward newly emerged organic compounds However, it is yet unknown whether this method makes predictions by choosing meaningful structural features rather than spurious ones, which is vital for trusting the models. In this study, we developed QSAR models for the logkHO路 values of 1089 organic compounds in the aqueous phase by two ML algorithms-deep neural networks (DNN) and eXtreme Gradient Boosting (XGBoost), and interpreted the built models by the SHapley Additive exPlanations (SHAP) method. The results showed that for the contribution of a given structural feature to logkHO. for different compounds, DNN and XGBoost treated it as a fixed and variable value, resp. We then developed an ensemble model combining the DNN with XGBoost, which achieved satisfactory predictive performance for all three datasets: Training dataset: R-square (R2) 0.89-0.91, root-mean-squared-error (RMSE) 0.21-0.23, and mean absolute error (MAE) 0.15-0.17; Validation dataset: R2 0.63-0.78, RMSE 0.29-0.32, and MAE 0.21-0.25; and Test dataset: R2 0.60-0.71, RMSE 0.30-0.35, and MAE 0.23-0.25. This study offered some much-needed mechanistic insights into a ML-assisted environmental task, which are important for evaluating the trustworthiness of the ML-based models, further improving the models for specific applications, and leveraging the implicit knowledge the models carry. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Computed Properties of 111-29-5

The Article related to black box machine learning model radical organic compound, Water: Analysis and other aspects.Computed Properties of 111-29-5

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Shoji, Yusuke; Kinoshita, Daiki; Furumi, Seiichi published an article in 2020, the title of the article was Straight-chain alkanediol derivatives leading to glassy cholesteric liquid crystals with visible reflection.Category: alcohols-buliding-blocks And the article contains the following content:

A series of straight-chain alkanediol derivatives possessing two cholesteryl groups through carbonate ester linkages (Cn-DiCh) showed thermotropic cholesteric liquid crystal phase with visible reflection. The thermally induced shifting ranges of reflection peaks were dependent on the central carbon chain length (n) of Cn-DiCh. Although the pristine Cn-DiCh showed narrow wavelength ranges of the reflection peaks by changing the temperature, prepared mixture of two different kinds of Cn-DiCh at their equivalent weight ratio, which exhibited the reflection peak shift throughout a wide visible-wavelength range between 400 nm and 850 nm. Moreover, the binary mixtures of Cn-DiCh were rapidly cooled from the CLC temperatures to 0°C, whereupon the reflection colors could be preserved even at room temperature over 2 mo. Such rapid cooling treatment enabled the straightforward preparation of solid-state G-CLCs with visible reflection characteristics, thereby leading to the applications of rewritable full-color imaging media. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Category: alcohols-buliding-blocks

The Article related to cholesteric liquid crystal preparation reflection spectra, Alicyclic Compounds: Cyclohexanes and other aspects.Category: alcohols-buliding-blocks

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Perumal, GanesanMruga; Prabhu, K.; Rao, Mrk; Janaki, C. S.; Kalaivannan, J.; Kavimani, M. published an article in 2021, the title of the article was The GC MS analysis of ethyl acetate extract of one herbal plant, ′Canthiumparviflorum′.Safety of Pentane-1,5-diol And the article contains the following content:

The present study deals with the GC MS anal. of one medicinal plant, ′Canthiumparviflorum′. Ethno-pharmacol. this plant is used to treat diarrhea, fever, worm infestation, respiratory disorders, obesity and also as a diuretic. This plant was collected from nearby hills of Chengalpattu, Tamilnadu. The Et acetate extract of the aerial parts of the plant was subjected to GC MS study following standard protocols. It was observed that some very important mols. such as Butanedioic acid, di-Me ester, Butanedioic acid, hydroxy-, di-Me ester, Benzoic acid, 1-Methyl-1-ethoxycyclobutane, Cyclopentanecarboxylic acid, 4-nitrophenyl ester, 1, 5-Pentanediol, O, O′-divaleryl-, 3-Pyridinecarboxylic acid, 6-amino-, .beta.-D-Glucopyranose, 1, 6-anhydro-, Me .beta.-d-galactopyranoside, Hexadecanoic acid, Me ester, n-Hexadecanoic acid etc. were found in the GC MS profile of this plant which have far reaching medicinal roles, thereby supporting the medicinal value of this plant. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Safety of Pentane-1,5-diol

The Article related to canthiumparviflorum ethyl acetate extract diuretic obesity, Placeholder for records without volume info and other aspects.Safety of Pentane-1,5-diol

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On August 9, 2021, Nagumo, Ryo; Matsuoka, Takumi; Iwata, Shuichi published an article.Application of 111-29-5 The title of the article was Interactions between Acrylate/Methacrylate Biomaterials and Organic Foulants Evaluated by Molecular Dynamics Simulations of Simplified Binary Mixtures. And the article contained the following:

Improving hydrophilicity is a key factor for enhancing the biocompatibility of polymer surfaces. Nevertheless, previous studies have reported that poly(2-methoxyethyl acrylate) (PMEA) surfaces demonstrate markedly better biocompatibility than more hydrophilic poly(2-hydroxyethyl methacrylate) (PHEMA) surfaces. In this work, the origins of the excellent biocompatibility of the PMEA surface are investigated using mol. dynamics (MD) simulations of simplified binary mixtures of acrylate/methacrylate trimers and organic solvents, with n-nonane, 1,5-pentanediol, or 1-octanol serving as the probe organic foulants. The interactions between the acrylate/methacrylate trimers and solvent mols. were evaluated by calculating the radial distribution function (RDF), with the resulting curves indicating that the 2-methoxyethyl acrylate (MEA) trimer has a lower affinity for n-nonane mols. than the 2-hydroxyethyl methacrylate (HEMA) trimer. This result agrees with the exptl. consensus that the biocompatibility of PMEA surfaces is better than that of PHEMA surfaces, supporting the hypothesis that the affinity between an acrylate/methacrylate trimer and a foulant mol. in a simplified binary mixture is a significant factor in determining a surfaces antifouling properties. The RDF curves obtained for the other two solvent systems exhibited behavior that further highlighted the advantages of the PMEA surfaces as biocompatible polymers. In addition, the validity of employing the second virial coefficient (B2) as a predictor of antifouling properties was explored. The order of the B2 values of different binary mixtures indicated that the MEA trimers have the lowest affinities with n-nonane mols., which confirms that although PMEA is more hydrophobic than PHEMA, it exhibits better biocompatibility. This anal. demonstrates that the MEAs weaker miscibility with nonpolar foulants contributes to the excellent biocompatibility of PMEA. Thus, B2 is a promising criterion for assessing the miscibility between acrylate/methacrylate materials and nonpolar organic foulants, which indicates the potential for predicting the antifouling properties of acrylate/methacrylate polymer materials by evaluating the value of B2. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Application of 111-29-5

The Article related to methoxyethyl acrylate biomaterial binary mixture mol dynamic simulation, phema, pmea, biocompatibility, fouling, miscibility, second virial coefficient, Placeholder for records without volume info and other aspects.Application of 111-29-5

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On July 6, 2022, Romano, Ciro; Talavera, Laura; Gomez-Bengoa, Enrique; Martin, Ruben published an article.Application In Synthesis of Pentane-1,5-diol The title of the article was Conformational Flexibility as a Tool for Enabling Site-Selective Functionalization of Unactivated sp3 C-O Bonds in Cyclic Acetals. And the article contained the following:

A dual catalytic manifold that enables site-selective functionalization of unactivated sp3 C-O bonds in cyclic acetals with aryl and alkyl halides is reported. The reaction is triggered by an appropriate σ*-p orbital overlap prior to sp3 C-O cleavage, thus highlighting the importance of conformational flexibility in both reactivity and site selectivity. The protocol is characterized by its excellent chemoselectivity profile, thus offering new vistas for activating strong σ sp3 C-O linkages. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Application In Synthesis of Pentane-1,5-diol

The Article related to cyclic acetal regioselective alkylation arylation conformational flexibility, General Organic Chemistry: Synthetic Methods and other aspects.Application In Synthesis of Pentane-1,5-diol

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On December 31, 2020, Ahmadi, Delaram; Mahmoudi, Najet; Li, Peixun; Ma, Kun; Doutch, James; Foglia, Fabrizia; Heenan, Richard K.; Barlow, David; Lawrence, M. Jayne published an article.Application of 111-29-5 The title of the article was Revealing the Hidden Details of Nanostructure in a Pharmaceutical Cream. And the article contained the following:

Creams are multi-component semi-solid emulsions that find widespread utility across a wide range of pharmaceutical, cosmetic, and personal care products, and they also feature prominently in veterinary preparations and processed foodstuffs. The internal architectures of these systems, however, have to date been inferred largely through macroscopic and/or indirect exptl. observations and so they are not well-characterized at the mol. level. Moreover, while their long-term stability and shelf-life, and their aesthetics and functional utility are critically dependent upon their mol. structure, there is no real understanding yet of the structural mechanisms that underlie the potential destabilizing effects of additives like drugs, anti-oxidants or preservatives, and no structure-based rationale to guide product formulation. In the research reported here we sought to address these deficiencies, making particular use of small-angle neutron scattering and exploiting the device of H/D contrast variation, with complementary studies also performed using bright-field and polarised light microscopy, small-angle and wide-angle X-ray scattering, and steady-state shear rheol. measurements. Through the convolved findings from these studies we have secured a finely detailed picture of the mol. structure of creams based on Aqueous Cream BP, and our findings reveal that the structure is quite different from the generic picture of cream structure that is widely accepted and reproduced in textbooks. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Application of 111-29-5

The Article related to cosmetics nanostructure pharmaceutical cream, Pharmaceuticals: Formulation and Compounding and other aspects.Application of 111-29-5

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On December 31, 2021, Albozahid, Muayad; Naji, Haneen Zuhair; Alobad, Zoalfokkar Kareem; Saiani, Alberto published an article.Safety of Pentane-1,5-diol The title of the article was Effect of OMMT reinforcement on morphology and rheology properties of polyurethane copolymer nanocomposites. And the article contained the following:

The remarkable structural features of organic modified montmorillonite particles (OMMT) enable them to complete their important role in enhancing different properties of polyurethane copolymer with 75 weight% hard segments (PUC/75). Based on the melt intercalation approach, various amounts of OMMT were incorporated into PUC/75 solution followed by the injection molding process. It is essential to mention that the synthesized PUC/75 in this work relied on using 1,5-Pentanediol as a chain extender in order to produce a long-term and thermal-stable PUC successfully. The effect of incorporating various loading of OMMT on rheol. properties of neat PUC/75 and its nanocomposites was investigated. The structure of PUC/OMMT was studied using X-ray diffraction (XRD) and SEM. Addnl., differential scanning calorimetry (DSC) thermograms were utilized to investigate OMMT effect on the thermal transitions and crystallinity of resultant PUC nanocomposites. Interestingly, the dynamic rheol. anal. exhibited a remarkable increase in melt rheol. behavior with increasing OMMT loading compared to neat PUC/75. This could imply a good interaction between the functional group on the surface of OMMT and PUC/75 domains; particularly hard domains, herein the DSC results showed moderate improvement in melt temperature (Tm) of PUC/OMMT nanocomposite. However, a decline in crystalline temperature (Tc) was also seen due to aggregation of OMMT, especially at higher OMMT loading. While XRD results exhibited a slight shifting in crystalline peaks of PUC nanocomposites relative to neat PUC/75. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Safety of Pentane-1,5-diol

The Article related to polyurethane copolymer nanocomposite rheol, Plastics Manufacture and Processing: General and other aspects.Safety of Pentane-1,5-diol

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On April 21, 2021, Sun, Xiangshi; Yu, Kongtong; Zhou, Yulin; Dong, Shiyan; Hu, Wenji; Sun, Yating; Li, Yuhuan; Xie, Jing; Lee, Robert J.; Sun, Fengying; Ma, Yifan; Wang, Shengnian; Kim, Betty Y. S.; Wang, Yifan; Yang, Zhaogang; Jiang, Wen; Li, Youxin; Teng, Lesheng published an article.Category: alcohols-buliding-blocks The title of the article was Self-Assembled pH-Sensitive Polymeric Nanoparticles for the Inflammation-Targeted Delivery of Cu/Zn-Superoxide Dismutase. And the article contained the following:

The use of superoxide dismutase (SOD) is currently limited by its short half-life, rapid plasma clearance rate, and instability. We synthesized a small library of biofriendly amphiphilic polymers that comprise methoxy poly(ethylene glycol)-poly(cyclohexane-1,4-diyl acetone dimethyleneketal) (mPEG-PCADK) and mPEG-poly((cyclohexane86.7%, 1,5-pentanediol13.3%)-1,4-diyl acetone dimethylene ketal) (PK3) for the targeted delivery of SOD. The novel polymers could self-assemble into micellar nanoparticles with favorable hydrolysis kinetics, biocompatibility, long circulation time, and inflammation-targeting effects. These materials generated a better pH-response curve and exhibited better hydrolytic kinetic behavior than PCADK and PK3. The polymers showed good biocompatibility with protein drugs and did not induce an acidic microenvironment during degradation in contrast to materials such as PEG-block-poly(lactic-co-glycolic acid) (PLGA) and PLGA. The SOD that contained reverse micelles based on mPEG2000-PCADK exhibited good circulation and inflammation-targeting properties. Pharmacodynamic results indicated exceptional antioxidant and anti-inflammatory activities in a rat adjuvant-induced arthritis model and a rat peritonitis model. These results suggest that these copolymers are ideal protein carriers for targeting inflammation treatment. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Category: alcohols-buliding-blocks

The Article related to polyketal ph sensitive nanoparticle copper zinc superoxide dismutase, cu/zn-superoxide dismutase, drug delivery, nanoparticles, ph-sensitive, polyketals, Pharmaceuticals: Formulation and Compounding and other aspects.Category: alcohols-buliding-blocks

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