Our Top Choice Compound:101-84-8

Welcome to talk about 101-84-8, If you have any questions, you can contact Liu, SJ; Bai, LC; van Muyden, AP; Huang, ZJ; Cui, XJ; Fei, ZF; Li, XH; Hu, XL; Dyson, PJ or send Email.. Name: Diphenyl oxide

Name: Diphenyl oxide. I found the field of Chemistry; Science & Technology – Other Topics very interesting. Saw the article Oxidative cleavage of -O-4 bonds in lignin model compounds with a single-atom Co catalyst published in 2019.0, Reprint Addresses Dyson, PJ (corresponding author), Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn ISIC, CH-1015 Lausanne, Switzerland.; Li, XH (corresponding author), South China Univ Technol, State Key Lab Pulp & Paper Engn, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China.; Hu, XL (corresponding author), Ecole Polytech Fed Lausanne, LSCI, ISIC, Inst Chem Sci & Engn, CH-1015 Lausanne, Switzerland.. The CAS is 101-84-8. Through research, I have a further understanding and discovery of Diphenyl oxide.

Single-atom catalysts are emerging as primary catalysts for many reactions due to their 100% utilization of active metal centers leading to high catalytic efficiencies. Herein, we report the use of a single-atom Co catalyst for the oxidative cleavage of the -O-4 bonds of lignin model compounds at a low oxygen pressure. Under the optimized reaction conditions, the conversion of 2-(2-methoxyphenoxy)-1-phenylethanol up to 95% with high selectivities was achieved with a variety of substrates investigated. The reusability of the Co catalyst with a high catalytic efficiency indicates its potential application in the oxidative cleavage of C-O bonds.

Welcome to talk about 101-84-8, If you have any questions, you can contact Liu, SJ; Bai, LC; van Muyden, AP; Huang, ZJ; Cui, XJ; Fei, ZF; Li, XH; Hu, XL; Dyson, PJ or send Email.. Name: Diphenyl oxide

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New explortion of Diphenyl oxide

Welcome to talk about 101-84-8, If you have any questions, you can contact Li, J; Hu, ZE; Yang, XL; Wu, WX; Xing, X; Gu, B; Liu, YH; Wang, N; Yu, XQ or send Email.. Recommanded Product: 101-84-8

An article GSH/pH dual-responsive biodegradable camptothecin polymeric prodrugs combined with doxorubicin for synergistic anticancer efficiency WOS:000476955100016 published article about CO-DELIVERY; MULTIDRUG-RESISTANCE; DRUG-RESISTANCE; MICELLES; PH; NANOPARTICLES; REDUCTION; STRATEGIES; COPOLYMER; THERAPY in [Li, Jun; Hu, Zu-E.; Yang, Xian-Ling; Xing, Xiu; Gu, Bo; Liu, Yan-Hong; Wang, Na; Yu, Xiao-Qi] Sichuan Univ, Key Lab Green Chem & Technol, Minist Educ, Coll Chem, Chengdu 610064, Sichuan, Peoples R China; [Wu, Wan-Xia] Chengdu Univ, Coll Pharm & Biol Engn, Chengdu 610106, Sichuan, Peoples R China in 2019.0, Cited 53.0. Recommanded Product: 101-84-8. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8

Dual stimuli-responsive camptothecin polymeric prodrugs (CPT Prodrugs) with grafted structures were designed via chemoenzymatic methods and combined with doxorubicin (DOX) for synergistic drug delivery to improve anticancer efficiency. The CPT Prodrugs loaded DOX with a high efficiency through the cooperative contribution of several interaction forces. The produced amphiphilic polymeric prodrugs loaded with DOX, referred to as DOX@CPT Prodrugs, formed homogeneous spherical micelles of appropriate sizes (sub-50 nm). The DOX@CPT Prodrug micelles showed excellent stability in release experiments under in vitro physiological conditions and maintained over 80% drug loading after 4 weeks when stored at 4 degrees C. Under weakly acidic pH and reduced glutathione (GSH) conditions, the DOX@CPT Prodrugs with high disulfide and tertiary amine content achieved synergistic release of the two loaded drugs and biodegraded into low-molecular-weight compounds. The cell experiments confirmed that the internalization of DOX@CPT Prodrugs into cancer cells was greatly improved by nearly 30% compared with that of free drugs. Furthermore, the synergistic drug delivery system exhibited superior anticancer efficiency with highly improved cell selectivity ratios (up to 127.0%) and greatly enhanced synergistic effects (up to 23.9%) benefiting from good long-term stability, better internalization by cells and sensitive pH and GSH dual-responsivity. In addition, the DOX@CPT Prodrugs with suitable sizes and good water solubility also exhibited a greater penetrability in the case of simulating solid tumors than the free drugs. These results demonstrate the potential of DOX@CPT Prodrugs as biodegradable, dual-responsive combination therapy nanocarriers for synergistic anticancer treatment.

Welcome to talk about 101-84-8, If you have any questions, you can contact Li, J; Hu, ZE; Yang, XL; Wu, WX; Xing, X; Gu, B; Liu, YH; Wang, N; Yu, XQ or send Email.. Recommanded Product: 101-84-8

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Properties and Exciting Facts About Diphenyl oxide

Recommanded Product: Diphenyl oxide. About Diphenyl oxide, If you have any questions, you can contact Zhu, C; Cao, JP; Feng, XB; Zhao, XY; Yang, Z; Li, J; Zhao, M; Zhao, YP; Bai, HC or concate me.

Recommanded Product: Diphenyl oxide. Zhu, C; Cao, JP; Feng, XB; Zhao, XY; Yang, Z; Li, J; Zhao, M; Zhao, YP; Bai, HC in [Zhu, Chen; Cao, Jing-Pei; Feng, Xiao-Bo; Zhao, Xiao-Yan; Yang, Zhen; Li, Jun; Zhao, Ming; Zhao, Yun-Peng] China Univ Min & Technol, Minist Educ, Key Lab Coal Proc & Efficient Utilizat, Xuzhou 221116, Jiangsu, Peoples R China; [Zhu, Chen; Cao, Jing-Pei; Bai, Hong-Cun] Ningxia Univ, State Key Lab High Efficient Utilizat Coal & Gree, Yinchuan 750021, Ningxia, Peoples R China published Theoretical insight into the hydrogenolysis mechanism of lignin dimer compounds based on experiments in 2021.0, Cited 45.0. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8.

Deep insight of reaction mechanism in lignin model compounds is helpful to achieve the directed depolymerization of lignin or biomass to chemicals or fuels. In this study, the density functional theory (DFT) calculation was employed to investigate the cleavage mechanism of the C-O bonds in lignin di-mers. Additionally, the intrinsic chemical reactivity of molecular in term of the Fukui function was applied to predict the most probable sites which react with hydrogen free radicals (H center dot). It was found that the O atoms in lignin dimers are the most reaction site involving H center dot because of the large f (0). By this method, the most rational path from a series of reaction paths was screen out. Apart from the Fukui function, the average local ionization energy (ALIE) was analyzed to prove the reliability of Fukui function. The kinetic analysis of the reaction path was performed to further understand the impact of temperature on the reaction rate constant (KTST). It is observed that benzyl phenyl ether (BPE) with higher KTST could be easily cleaved because of the relatively low energy barrier. (C) 2020 Elsevier Ltd. All rights reserved.

Recommanded Product: Diphenyl oxide. About Diphenyl oxide, If you have any questions, you can contact Zhu, C; Cao, JP; Feng, XB; Zhao, XY; Yang, Z; Li, J; Zhao, M; Zhao, YP; Bai, HC or concate me.

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Get Up to Speed Quickly on Emerging Topics:Diphenyl oxide

Recommanded Product: Diphenyl oxide. Welcome to talk about 101-84-8, If you have any questions, you can contact Noori, AH; Rezaee, M; Kazemipour, M; Mashayekhi, HA or send Email.

I found the field of Chemistry very interesting. Saw the article Development of magnetic solid-phase extraction coupled with dispersive liquid-liquid microextraction method for the simultaneous determination of biphenyl and biphenyl oxide in water samples published in 2019.0. Recommanded Product: Diphenyl oxide, Reprint Addresses Mashayekhi, HA (corresponding author), Islamic Azad Univ, Tonekabon Branch, Dept Chem, Tonekabon, Iran.. The CAS is 101-84-8. Through research, I have a further understanding and discovery of Diphenyl oxide

A new and sensitive method, termed magnetic solid phase extraction combined with dispersive liquid-liquid micro-extracton (MSPE-DLLME), has been developed for the simultaneous determination of biphenyl and biphenyl oxide in water samples. Different parameters influencing the extraction efficiency, including the amount of sorbent, sorption time, type of elution solvent and its volume, type of extraction solvent and its volume, and elution time were optimized. The calibration curves were linear in the range of 0.5-100 mu g/L for both of them. The limits of detection (LODs) were achieved, 0.03 mu g/L for biphenyl and 0.07 mu g/L for biphenyl oxide, respectively. Ultimately, the applicability of the method was successfully confirmed by the extraction and determination of biphenyl and biphenyl oxide in sea, river, tap, and water well.

Recommanded Product: Diphenyl oxide. Welcome to talk about 101-84-8, If you have any questions, you can contact Noori, AH; Rezaee, M; Kazemipour, M; Mashayekhi, HA or send Email.

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Downstream Synthetic Route Of Benzyl ether

Bye, fridends, I hope you can learn more about C14H14O, If you have any questions, you can browse other blog as well. See you lster.. Quality Control of Benzyl ether

Quality Control of Benzyl ether. In 2020 J AM CHEM SOC published article about 2-DIMENSIONAL ZEOLITES; DELAMINATED ZEOLITES; CATALYTIC-ACTIVITY; MOLECULAR-SIEVES; MCM-22 ZEOLITE; TEMPLATE; ITQ-2; NMR; MFI; DESIGN in [Mu, Yanyu; Kabius, Bernd; Rioux, Robert M.] Penn State Univ, Dept Chem Engn, University Pk, PA 16801 USA; [Pacheco, Carlos; Rioux, Robert M.] Penn State Univ, Dept Chem, University Pk, PA 16801 USA; [Zhou, Yunwen; Hsieh, Ming-Feng; Rimer, Jeffrey D.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA; [Bator, Carol] Penn State Univ, Huck Inst Life Sci, University Pk, PA 16801 USA in 2020, Cited 64. The Name is Benzyl ether. Through research, I have a further understanding and discovery of 103-50-4.

The synthesis of two-dimensional (2D) zeolites has garnered attention due to their superior properties for applications that span catalysis to selective separations. Prior studies of 2D zeolite catalysts demonstrated enhanced mass transport for improved catalyst lifetime and selectivity. Moreover, the significantly higher external surface area of 2D materials allows for reactions of bulky molecules too large to access interior pores. There are relatively few protocols for preparing 2D materials, owing to the difficultly of capping growth in one direction to only a few unit cells. To accomplish this, it is often necessary to employ complex, commercially unavailable organic structure-directing agents (OSDAs) prepared via multistep synthesis. However, a small subset of zeolite structures exist as naturally layered materials where postsynthesis steps can be used to exfoliate samples and produce ultrathin 2D nanosheets. In this study, we selected a common layered zeolite, the MWW framework, to explore methods of preparing 2D nanosheets via one-pot synthesis in the absence of complex organic templates. Using a combination of high-resolution microscopy and spectroscopy, we show that 2D MMW-type layers with an average thickness of 3.5 nm (ca. 1.5 unit cells) can be generated using the surfactant cetyltrimethylammonium (CTA), which operates as a dual OSDA and exfoliating agent to affect Al siting and to eliminate the need for postsynthesis exfoliation, respectively. We tested these 2D catalysts using a model reaction that assesses external (surface) Brmnsted acid sites and observed a marked increase in the conversion relative to three-dimensional MWW (MCM-22) and 2D layers prepared from postsynthesis exfoliation (ITQ-2). Collectively, our findings identify a facile and effective route to directly synthesize 2D MWW-type materials, which may prove to be more broadly applicable to other layered zeolites.

Bye, fridends, I hope you can learn more about C14H14O, If you have any questions, you can browse other blog as well. See you lster.. Quality Control of Benzyl ether

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Machine Learning in Chemistry about 103-50-4

Welcome to talk about 103-50-4, If you have any questions, you can contact Hu, L; Wei, XY; Kang, YH; Guo, XH; Xu, ML; Zong, ZM or send Email.. Computed Properties of C14H14O

I found the field of Energy & Fuels very interesting. Saw the article Mordenite-supported ruthenium catalyst for selective hydrodeoxygenation of lignin model compounds and lignin-derived bio-oil to produce cycloalkanes published in 2021. Computed Properties of C14H14O, Reprint Addresses Wei, XY (corresponding author), China Univ Min & Technol, Key Lab Coal Proc & Efficient Utilizat, Minist Educ, Xuzhou 221116, Jiangsu, Peoples R China.. The CAS is 103-50-4. Through research, I have a further understanding and discovery of Benzyl ether

Recently high yield of cycloalkanes originates from selective hydrodeoxygenation (HDO) of lignin-derived bio-oil under mild conditions, which still encounters the great challenges. Herein, mordenite-supported ruthenium bifunctional catalyst (Ru3%/M) was prepared by using the deposition-precipitation (DP) method for the HDO reaction of the petroleum ether-extractable portions (PEEP) from alkali catalytic ethanolysis of lignin (CEOL). Ru3%/M catalyst was characterized systematically by XRD, XPS, FTIRS, NH3-TPD, N-2-adsorption, SEM, and TEM, indicating that it had the moderate acid sites and uniform Ru nanoparticles dispersion. The synthesized catalyst was further tested for the HDO per-formance of diphenyl ether, oxybis(methylene)dibenzene, and anisole, respectively. Results showed that three lignin model compounds can be converted to high yield of cycloalkanes under 160 degrees C and 3 MPa H-2 in n-hexane. This catalyst showed the high catalytic activity for diphenyl ether HDO reaction, the con -version decreased slightly to 87.6% after five recycle times. Furthermore, catalyst feed mass was the key factor for HDO reaction of raw PEEP from CEOL, promoting the HDO reaction process to produce high yield of cycloalkanes. Interestingly, the mass ratio between catalyst feed and raw PEEP was 1, thus 74.36% relative content (RC) of cycloalkanes can be obtained. The upgraded PEEP from CEOL has potential to be used as clean liquid fuels. (C) 2021 Energy Institute. Published by Elsevier Ltd. All rights reserved.

Welcome to talk about 103-50-4, If you have any questions, you can contact Hu, L; Wei, XY; Kang, YH; Guo, XH; Xu, ML; Zong, ZM or send Email.. Computed Properties of C14H14O

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What about chemistry interests you the most Diphenyl oxide

Application In Synthesis of Diphenyl oxide. Welcome to talk about 101-84-8, If you have any questions, you can contact Saeed, A; Altarawneh, M; Siddique, K; Conesa, JA; Ortuno, N; Dlugogorski, BZ or send Email.

Application In Synthesis of Diphenyl oxide. I found the field of Environmental Sciences & Ecology; Toxicology very interesting. Saw the article Photodecomposition properties of brominated flame retardants (BFRs) published in 2020, Reprint Addresses Altarawneh, M (corresponding author), United Arab Emirates Univ, Dept Chem & Petr Engn, Sheikh Khabla bin Zayed St, Al Ain 15551, U Arab Emirates.. The CAS is 101-84-8. Through research, I have a further understanding and discovery of Diphenyl oxide.

This study investigates the geometric and electronic properties of selected BFRs in their ground (S-0) and first singlet excited (S-1) states deploying methods of the density functional theory (DFT) and the time-dependent density functional theory (TDDFT). We estimate the effect of the S-0 -> S-1 transition on the elongations of the C-Br bond, identify the frontier molecular orbitals involved in the excitation process and compute partial atomic charges for the most photoreactive bromine atoms. The bromine atom attached to an who position in HBB (with regard to C-C bond; 2,2′,4,4′,6,6′-hexabromobiphenyl), TBBA (with respect to the hydroxyl group; 2,2′,6,6′-tetrabromobisphenol A), HBDE and BTBPE (in reference to C-O linkage; 2,2′,4,4′,6,6′-hexabromodiphenylether and 1,2-bis(2,4,6-tribromophenoxy)ethane, respectively) bears the highest positive atomic charge. This suggests that, these positions undergo reductive debromination reactions to produce lower brominated molecules. Debromination reactions ensue primarily in the aromatic compounds substituted with the highest number of bromine atoms owing to the largest stretching of the C-Br bond in the first excited state. The analysis of the frontier molecular orbitals indicates that, excitations of BFRs proceed via pi ->pi*, or pi ->sigma* or n ->sigma* electronic transitions. The orbital analysis reveals that, the HOMO-LUMO energy gap (EH-L) for all investigated brominesubstituted aromatic molecules falls lower (1.85-4.91 eV) than for their non-brominated analogues (3.39-8.07 eV), in both aqueous and gaseous media. The excitation energies correlate with the EH-L values. The excitation energies and EH-L values display a linear negative correlation with the number of bromine atoms attached to the molecule. Spectral analysis of the gaseous-phase systems reveals that, the highly brominated aromatics endure lower excitation energies and exhibit red shifts of their absorption bands in comparison to their lower brominated congeners. We attained a satisfactory agreement between the experimentally measured absorption peak (lambda(max)) and the theoretically predicted oscillator strength (lambda(max)) for the UV-Vis spectra. This study further confirms that, halogenated aromatics only absorb light in the UV spectral region and that effective photodegradation of these pollutants requires the presence of photocatalysts.

Application In Synthesis of Diphenyl oxide. Welcome to talk about 101-84-8, If you have any questions, you can contact Saeed, A; Altarawneh, M; Siddique, K; Conesa, JA; Ortuno, N; Dlugogorski, BZ or send Email.

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New learning discoveries about 101-84-8

Computed Properties of C12H10O. Welcome to talk about 101-84-8, If you have any questions, you can contact Erasmus, E or send Email.

An article Morphology-Dependent Ullmann C-O Arylation Using Cu2O Nanocrystals WOS:000582189800001 published article about HETEROGENEOUS CATALYST; REUSABLE CATALYST; FACILE SYNTHESIS; GREEN SYNTHESIS; EFFICIENT; NANOPARTICLES; PHENOLS; PERFORMANCE in [Erasmus, E.] Univ Free State, Dept Chem, ZA-9300 Bloemfontein, South Africa in 2020.0, Cited 29.0. Computed Properties of C12H10O. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8

Five different copper-oxide nanocrystals were prepared by colloidal synthesis to form either cubic, octahedral, rhombic dodecahedral, truncated cubic, or fluffy sphere structures. These Cu-oxide nanocrystals were characterised using scanning electron microscopy, X-ray photoelectron spectroscopy, and UV-vis. The SEM images show that the Cu2O nanocrystals are relatively uniform and all the crystals have a particle mean diameter below 1000 nm. The smallest particle mean diameter is 411 nm for the rhombic dodecahedral crystals, while the octahedral crystal displays the largest particle mean diameter of 864 nm. The XPS results indicate that the copper is primarily Cu(I)in Cu2O, but some as Cu(II)are also present. The apparent optical band gap energies could be determined from the optical properties of the five Cu-oxide nanocrystals, using the classical Tauc equation. The apparent optical band gap energies ranged between 2.04 and 2.14 eV. The Ullmann C-O coupling reaction was used to investigate the catalytic performance of the Cu-oxide nanocrystals. The fluffy sphere gave the highest % conversion, while the rhombic dodecahedral showed the lowest conversion.

Computed Properties of C12H10O. Welcome to talk about 101-84-8, If you have any questions, you can contact Erasmus, E or send Email.

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Final Thoughts on Chemistry for C12H10O

Welcome to talk about 101-84-8, If you have any questions, you can contact Zhang, SJ; Qiu, YL; Li, Y or send Email.. Safety of Diphenyl oxide

Zhang, SJ; Qiu, YL; Li, Y in [Zhang, Shujing; Qiu, Youli; Li, Yu] North China Elect Power Univ, Coll Environm Sci & Engn, Beijing 102206, Peoples R China published Detection Method of Environmentally Friendly Non-POP PBDEs by Derivatization-Enhanced Raman Spectroscopy Using the Pharmacophore Model in 2019.0, Cited 33.0. Safety of Diphenyl oxide. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8.

Background: Polybrominated diphenyl ethers (PBDEs) are dangerous for the environment and human health because of their persistent organic pollutant (POP) characteristics, which have attracted extensive research attention. Raman spectroscopy is a simple highly sensitive detection operation. This study was performed to obtain environmentally friendly non-POP PBDE derivatives with simple detection-based molecular design and provide theoretical support for establishing enhanced Raman spectroscopic detection techniques. Methods: A three-dimensional quantitative structure-activity relationship (3DQSAR) pharmacophore model of characteristic PBDE Raman spectral was established using 20 and 10 PBDEs as training and test sets, respectively. Full-factor experimental design was used to modify representative commercial PBDEs, and their flame retardancy and POP characteristics were evaluated. Results: The pharmacophore model (Hypol) exhibited good predictive ability with the largest correlation coefficient (R-2) of 0.88, the smallest root mean square (RMS) value of 0.231, and total cost of 81.488 with a configuration value of 12.56 (<17).74 monosubstituted and disubstituted PBDE derivatives were obtained based on the Hypo 1 pharmacophore model and full-factor experimental design auxiliary. Twenty PBDE derivatives were screened, and their flame-retardant capabilities were enhanced and their migration and bio-concentration were reduced (log(K-OW) <5), with unchanged toxicity and high biodegradability. The Raman spectral intensities increased up to 380%. In addition, interference analysis of the Raman peaks by group frequency indicated that the 20 PBDE derivatives were easily detected with no interference in gaseous environments. Conclusion: Nine pharmacophore models were constructed in this study; Hypo 1 was the most accurate. Twenty PBDE derivatives showed Raman spectral intensities increased up to 380%; these were classified as new non-POP environmentally friendly flame retardants with low toxicity, low migration, good biodegradability, and low bio-concentrations. 2D QSAR analysis showed that the most positive Milliken charge and lowest occupied orbital energy were the main contributors to the PBDE Raman spectral intensities. Raman peak analysis revealed no interference between the derivatives in gaseous environments. Welcome to talk about 101-84-8, If you have any questions, you can contact Zhang, SJ; Qiu, YL; Li, Y or send Email.. Safety of Diphenyl oxide

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Never Underestimate The Influence Of C12H10O

Quality Control of Diphenyl oxide. About Diphenyl oxide, If you have any questions, you can contact Li, C; Zheng, SS; Li, TT; Chen, JW; Zhou, JH; Su, LM; Zhang, YN; Crittenden, JC; Zhu, SY; Zhao, YH or concate me.

Authors Li, C; Zheng, SS; Li, TT; Chen, JW; Zhou, JH; Su, LM; Zhang, YN; Crittenden, JC; Zhu, SY; Zhao, YH in PERGAMON-ELSEVIER SCIENCE LTD published article about ACTIVITY-RELATIONSHIP QSAR; HYDROXYL RADICALS; AROMATIC CONTAMINANTS; POLYCHLORINATED-BIPHENYLS; HYDROGEN-ATOMS; GAS-PHASE; REDUCTION; OXIDATION; OZONE; MICROPOLLUTANTS in [Li, Chao; Zheng, Shanshan; Li, Tiantian; Zhou, Junhui; Su, Limin; Zhang, Ya-Nan; Zhu, Suiyi; Zhao, Yuanhui] Northeast Normal Univ, Sch Environm, State Environm Protect Key Lab Wetland Ecol & Veg, Changchun 130117, Jilin, Peoples R China; [Chen, Jingwen] Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn MOE, Dalian 116024, Peoples R China; [Crittenden, John C.] Georgia Inst Technol, Brook Byers Inst Sustainable Syst, Atlanta, GA 30332 USA; [Crittenden, John C.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA in 2019.0, Cited 51.0. Quality Control of Diphenyl oxide. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8

The hydrated electron (e(aq)(-))-based reduction processes are promising for removing organic pollutants in water engineering systems. The reductive kinetics, especially the second order rate constants (k(eaq-)) of e(aq)(-) with organic compounds, is important for evaluating and modeling the advanced reduction processes. In this study, the k(eaq-) values for aliphatic compounds and phenyl-based compounds are, for the first time, modeled by the quantitative structure-activity relationship (QSAR) method. The structural features governing the reactivity of two classes of organic compounds toward e(aq)(-) were revealed, and the energy of the lowest unoccupied molecular orbital (E-LUMO), one-electron reduction potential (E-RED) and polarizability (alpha) were found to be the important molecular parameters in both two models. The built QSAR models provide robust predictive tools for estimating the removal of emerging pollutants using e(aq)(-) during wastewater treatment processes. Additionally, quantum chemical calculations were employed to probe into the mechanism and feasibility of the single electron transfer (SET) pathway in the e(aq)(-)-based reduction process. The thermodynamic investigation suggests that the compounds with electron-withdrawing groups tend to possess higher k(eaq-) and lower Gibbs free energy (Delta G(SET)) and Gibbs free energies of activation (Delta double dagger G(SET)(center dot)) than the ones with electron-donating groups, indicating the SET process occurs more readily. It is also found that the refractory halogenated compounds can achieve dehalogenation via the SET pathway. (C) 2018 Elsevier Ltd. All rights reserved.

Quality Control of Diphenyl oxide. About Diphenyl oxide, If you have any questions, you can contact Li, C; Zheng, SS; Li, TT; Chen, JW; Zhou, JH; Su, LM; Zhang, YN; Crittenden, JC; Zhu, SY; Zhao, YH or concate me.

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Ether – Wikipedia,
,Ether | (C2H5)2O – PubChem