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Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic compounds

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 2, doi: 10.1007/s11783-020-1316-z

Abstract: . • Hydrophobic and electrostatic interactions and molecular size dominate log Klip/w. • The model canbe used in a wide application domain to predict log Klip/w values.The storage lipid/water distribution coefficient (log Klip/w) of organic chemicals, which quantitativelyIn this work, a quantitative structure-property relationship (QSPR) model for estimating log Klip/w valuesof small organic compounds was constructed based on 305 experimental log Klip/w values.

Keywords： Storage lipid/water distribution coefficient     log <i>Ki><sub>lip/wsub>     Organic compounds     QSPR     Quantum    

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NiFeRuO<sub><i>xi>sub> nanosheets on Ni foam as an electrocatalyst for efficient

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 11,   Pages 1698-1706 doi: 10.1007/s11705-023-2334-8

Abstract: The electrocatalyst NiFeRuO<sub><i>xi>sub>/NF, comprised of NiFeRuO<sub><i>xi>sub> nanosheetsNiFeRuO<sub><i>xi>sub>/NF displays high electrocatalytic activity and stability for overall alkalineA solar-driven system containing such a bifunctional NiFeRuO<sub><i>xi>sub>/NF has an almost 100%The NiFeRuO<sub><i>xi>sub> coating around Ni foam is an anti-corrosion layer and also a critical

Keywords： NiFeRuO<sub><i>xi>sub> nanosheets     Ni foam     electrocatalysis     overall seawater splitting     solar-driven    

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Evaluation of H<sub>2sub> on the Evolution Mechanism of NO<sub><i>xi>sub> Storage and Reductionover Pt–Ba–Ce/γ-Al<sub>2sub>O<sub>3sub> Catalysts Article

Pan Wang, Jing Yi, Chuan Sun, Peng Luo, Lili Lei

Engineering 2019, Volume 5, Issue 3,   Pages 568-575 doi: 10.1016/j.eng.2019.02.005

Abstract:

In this investigation, Pt–Ba–Ce/γ-Al<sub>2sub>O<sub>3sub> catalysts were preparedThe physical and chemical properties of the Pt–Ba–Ce/γ-Al<sub>2sub>O<sub>3sub>>xsub>, CeO<sub>2sub>, and BaCO<sub>3sub>, whose peaks were observed in X-ray diffraction>catsub> at 350 °C, which was ascribed to the increase in NO<sub>2sub> yield.and conversion were increased when the time of H<sub>2sub> exposure (i.e., 30 s, 45 s, and 60 s) was

Keywords： Pt–Ba–Ce/γ-Al<sub>2sub>O<sub>3sub> catalysts     Physicochemical properties     NO<sub><i>xi>sub> storageand reduction     NO<sub><i>xi>sub> emission     H<sub>2sub> reductant    

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NO<sub><i>xi>sub> and H<sub>2sub>S formation in the reductive zone of air-staged combustion of

Jinzhi CAI, Dan LI, Denggao CHEN, Zhenshan LI

Frontiers in Energy 2021, Volume 15, Issue 1,   Pages 4-13 doi: 10.1007/s11708-020-0804-y

Abstract: Low NO combustion of blended coals is widely used in coal-fired boilers in China to control NO emission; thus, it is necessary to understand the formation mechanism of NO and H S during the combustion of blended coals. This paper focused on the investigation of reductive gases in the formation of NO and H S in the reductive zone of blended coals during combustion. Experiments with Zhundong (ZD) and Commercial (GE) coal and their blends with different mixing ratios were conducted in a drop tube furnace at 1200°C–1400°C with an excessive air ratio of 0.6–1.2. The coal conversion and formation characteristics of CO, H S, and NO in the fuel-rich zone were carefully studied under different experimental conditions for different blend ratios. Blending ZD into GE was found to increase not only the coal conversion but also the concentrations of CO and H S as NO reduction accelerated. Both the CO and H S concentrations inblended coal combustion increase with an increase in the combustion temperature and a decrease in the excessive air ratio. Based on accumulated experimental data, one interesting finding was that NO and H S from blended coal combustion were almost directly dependent on the CO concentration, and the CO concentration of the blended coal combustion depended on the single char gasification conversion.Thus, CO, NO , and H S formation characteristics from blended coal combustion can be well predicted by single char gasification kinetics.

Keywords： blended coal combustion     NO<sub><i>x i>sub>formation     H<sub>2sub>S formation     air staged combustion    

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Thermal and Mechanical Properties Optimization of <i>ABi>O<sub>4sub> Type EuNbO<sub>4sub> By the<i>Bi>-Site Substitution of Ta Article

Lin Chen, Jing Feng

Engineering 2020, Volume 6, Issue 2,   Pages 177-184 doi: 10.1016/j.eng.2019.12.006

Abstract:

Ferroelastic ABO<sub>4sub> type RETaO<sub>4sub> and RENbO<sub>4sub> ceramics (where>4sub> have been found to be better than those of RENbO<sub>4sub>.The Young's modulus and the thermal expansion coefficient (TEC) of EuNbO<sub>4sub> are effectivelyincreased; with respective maximum values of 169 GPa and 11.2×10–6 K&ndashThe thermal conductivity is reduced to 1.52 W·K−1·m−1

Keywords： Thermal barrier coatings     Rare earth niobates     Substitution     Thermal conductivity     Thermal expansion coefficients     Young’s modulus    

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Accounting for the uncertainties in the estimation of average shear wave velocity using – correlations

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 5,   Pages 1199-1208 doi: 10.1007/s11709-021-0749-1

Abstract: Shear wave velocity ( <i>Vi> <sub>Ssub>) is a key parameter in such analysis, although the economyVarious <i>Vi> <sub>Ssub>–SPT– <i>Ni> correlations are routinely incorporated in seismic hazardanalysis to estimate the value of <i>Vi> <sub>Ssub>.i> <sub>Ssub> calculations.The scattering nature of the <i>Vi> <sub>Ssub> values estimated using different <i>Vi> <sub>S

Keywords： uncertainties     <i>Vi> <sub>Ssub>– <i>Ni> correlations     <i>Vi> <sub>S30sub>     SPT data     statistical    

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Superior performance in visible-light-driven hydrogen evolution reaction of three-dimensionally ordered macroporous SrTiO decorated with ZnCdS

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 6,   Pages 1561-1571 doi: 10.1007/s11705-021-2089-z

Abstract: In this study, we demonstrate the fabrication of three-dimensionally ordered macroporous SrTiO<sub>3sub> decorated with Zn<sub><i>xi>sub>Cd<sub>1−sub><sub><i>xi>sub>S nanoparticles for hydrogenapparent quantum efficiency of 35.9% at 420 nm, which is 4.2 and 23.9 times higher than those of pure Zn<sub>0.5sub>Cd<sub>0.5sub>S (4.67 mmol·g−1·h−1) and CdS (0.82 mmol·g−1

Keywords： three-dimensionally ordered macroporous SrTiO<sub>3sub>     Zn<sub><i>xi>sub>Cd<sub>1–sub><sub><i>xi>sub>S     visible light     hydrogen production     promotion mechanism    

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CeO doping boosted low-temperature NH-SCR activity of FeTiO catalyst: A microstructure analysis and reaction mechanistic study

Frontiers of Environmental Science & Engineering 2022, Volume 16, Issue 5, doi: 10.1007/s11783-022-1539-2

Abstract:

• CeO<sub>2sub> doping significantly improved low-temperature NH<sub>3sub>-SCR activity on FeTiO<sub><i>xi>sub>.

Keywords： NH<sub>3sub>-SCR     CeO<sub>2sub> doping     Low-temperature NO<sub><i>xi>sub> removal     Improved redoxproperty     <i>In situi> XAFS analysis    

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Chemical poison and regeneration of SCR catalysts for NO<sub><i>xi>sub>

Junhua LI,Yue PENG,Huazhen CHANG,Xiang LI,John C. CRITTENDEN,Jiming HAO

Frontiers of Environmental Science & Engineering 2016, Volume 10, Issue 3,   Pages 413-427 doi: 10.1007/s11783-016-0832-3

Abstract: Selective catalytic reduction (SCR) of NO with NH is an effective technique to remove NO from stationary sources, such as coal-fired power plant and industrial boilers. Some of elements in the fly ash deactivate the catalyst due to strong chemisorptions on the active sites. The poisons may act by simply blocking active sites or alter the adsorption behaviors of reactants and products by an electronic interaction. This review is mainly focused on the chemical poisoning on V O -based catalysts, environmental-benign catalysts and low temperature catalysts. Several common poisons including alkali/alkaline earth metals, SO and heavy metals etc. are referred and their poisoning mechanisms on catalysts are discussed. The regeneration methods of poisoned catalysts and the development of poison-resistance catalysts are also compared and analyzed. Finally, future research directions in developing poisoning resistance catalysts and facile efficient regeneration methods for SCR catalysts are proposed.

Keywords： flue gas     DeNO<sub><i>xi>sub>     SCR catalyst     poison and regeneration    

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Recent advances in special morphologic photocatalysts for NO removal

Frontiers of Environmental Science & Engineering 2022, Volume 16, Issue 11, doi: 10.1007/s11783-022-1573-0

Abstract:

● Systematic information of recent progress in photocatalytic NO<sub> <i> x i>sub> removal is provided.

Keywords： NO<sub><i>xi>sub> removal     Photocatalyst     Graphene     C<sub>3sub>N<sub>4sub>     Bi-based compounds    

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Tailoring the simultaneous abatement of methanol and NO on Sb-Ce-Zr catalysts via copper modification

Frontiers of Environmental Science & Engineering 2022, Volume 16, Issue 10, doi: 10.1007/s11684-022-1565-0

Abstract:

● Cu addition enhances CH<sub>3sub>OH oxidation and alleviates

Keywords： Copper modification     Sb-CeZr<sub>2sub>O<sub><i>xi>sub> catalyst     NO<sub><i>xi>sub>     Methanol    

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<i>Ni>-Positive ion activated rapid addition and mitochondrial targeting ratiometric fluorescent probesfor <i>in vivoi> cell H<sub>2sub>S imaging

Yan Shi, Fangjun Huo, Yongkang Yue, Caixia Yin

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1,   Pages 64-71 doi: 10.1007/s11705-021-2048-8

Abstract: Heterocyclic compound quinoline and its derivatives exist in natural compounds and have a broad spectrum of biological activity. They play an important role in the design of new structural entities for medical applications. Similarly, indoles and their derivatives are found widely in nature. Amino acids, alkaloids and auxin are all derivatives of indoles, as are dyes, and their condensation with aldehydes makes it easy to construct reaction sites for nucleophilic addition agents. In this work, we combine these two groups organically to construct a rapid response site (within 30 s) for H S, and at the same time, a ratiometric fluorescence response is presented throughout the process of H S detection. As such, the lower detection limit can reach 55.7 nmol/L for H S. In addition, cell imaging shows that this probe can be used for the mitochondrial targeted detection of endogenous and exogenous H S. Finally, this probe application was verified by imaging H S in nude mice.

Keywords： heterocyclic compound     hydrogen sulfide     ratiometric     mitochondrial targeted    

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><i>In situi> growth of phosphorized ZIF-67-derived amorphous CoP/Cu<sub>2sub>O@CF electrocatalyst

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 10,   Pages 1430-1439 doi: 10.1007/s11705-023-2320-1

Abstract: Herein, we report an <i>in situi> phosphorization of zeolitic imidazole frameworks (ZIF-67) to generateThe intermediate product was phosphorized to obtain final electrocatalyst (CoP/Cu<sub>2sub>O@CF) withThe electrochemical measurement proved that CoP/Cu<sub>2sub>O@CF catalyst exhibited excellent HER activitydi>-band center of CoP downshifted after bonding with ZIF-67 and the Gibbs free energy (Δ<i>Gi><subThis work illustrates the efficient HER activity of CoP/Cu<sub>2sub>O@CF catalyst, which will act as

Keywords： CoP/Cu<sub>2sub>O@CF     electrocatalyst     phosphorization     HER     DFT    

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Photosynthesis and related metabolic mechanism of promoted rice (<i>Oryza sativai> L.) growth by TiO<sub>2sub> nanoparticles

Yingdan Zhang, Na Liu, Wei Wang, Jianteng Sun, Lizhong Zhu

Frontiers of Environmental Science & Engineering 2020, Volume 14, Issue 6, doi: 10.1007/s11783-020-1282-5

Abstract: Abstract • The rice growth was promoted by nano-TiO2 of 0.1–100 mg/L. • Nano-TiO2 enhanced the energy storage in photosynthesis. • Nano-TiO2 reduced energy consumption in carbohydrate metabolism and TCA cycle. Titanium dioxide nanoparticle (nano-TiO2), as an excellent UV absorbent and photo-catalyst, has been widely applied in modern industry, thus inevitably discharged into environment. We proposed that nano-TiO2 in soil can promote crop yield through photosynthetic and metabolic disturbance, therefore, we investigated the effects of nano-TiO2 exposure on related physiologic-biochemical properties of rice (Oryza sativa L.). Results showed that rice biomass was increased >30% at every applied dosage (0.1–100 mg/L) of nano-TiO2. The actual photosynthetic rate (Y(II)) significantly increased by 10.0% and 17.2% in the treatments of 10 and 100 mg/L respectively, indicating an increased energy production from photosynthesis. Besides, non-photochemical quenching (Y(NPQ)) significantly decreased by 19.8%–26.0% of the control in all treatments respectively, representing a decline in heat dissipation. Detailed metabolism fingerprinting further revealed that a fortified transformation of monosaccharides (D-fructose, D-galactose, and D-talose) to disaccharides (D-cellobiose, and D-lactose) was accompanied with a weakened citric acid cycle, confirming the decrease of energy consumption in metabolism. All these results elucidated that nano-TiO2 promoted rice growth through the upregulation of energy storage in photosynthesis and the downregulation of energy consumption in metabolism. This study provides a mechanistic understanding of the stress-response hormesis of rice after exposure to nano-TiO2, and provides worthy information on the potential application and risk of nanomaterials in agricultural production.

Keywords： Nano-TiO<sub>2sub>     Rice     Photosynthesis     Metabolomics     Energy storage    

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Effects of Pd doping on N

Mingxin Dong, Jun Wang, Jinxin Zhu, Jianqiang Wang, Wulin Wang, Meiqing Shen

Frontiers of Environmental Science & Engineering 2017, Volume 11, Issue 6, doi: 10.1007/s11783-017-0976-9

Abstract: N O is a powerful greenhouse gas and plays an important role in destructing the ozone layer. This present work investigated the effects of Pd doping on N O formation over Pt/BaO/Al O catalyst. Three types of catalysts, Pt/BaO/Al O , Pt/Pd mechanical mixing catalyst (Pt/BaO/Al O +Pd/Al O ) and Pt-Pd co-impregnation catalyst (Pt-Pd/BaO/Al O ) were prepared by incipient wetness impregnation method. These catalysts were first evaluated in NSR activity tests using H /CO as reductants and then carefully characterized by BET, CO chemisorption, CO-DRIFTs and H -TPR techniques. In addition, temperature programmed reactions of NO with H /CO were conducted to obtain further information about N O formation mechanism. Compared with Pt/BaO/Al O , (Pt/BaO/Al O +Pd/Al O ) produced less N O and more NH during NO storage and reduction process, while an opposite trend was found over (Pt-Pd/BaO/Al O +Al O ). Temperature programmed reactions of NO with H /CO results showed that Pd/Al O component in (Pt/BaO/Al O +Pd/Al O ) played an important role in NO reduction to NH , and the formed NH could reduce NO to N leading to a decrease in N O formation. Most of N O formed over (Pt-Pd/BaO/Al O +Al O ) was originated from Pd/BaO/Al O component. H -TPR results indicated Pd-Ba interaction resulted in more difficult-to-reduce PdO species over Pd/BaO/Al O , which inhibits the NO dissociation and thus drives the selectivity to N O in NO reduction.

Keywords： NO<sub><i>xi>sub> storage reduction     Pt/BaO/Al<sub>2sub>O<sub>3sub>     Pd doping     N<sub>2sub>O formation    

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Title Author Date Type Operation

Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic compounds

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

Journal Article

NiFeRuO<sub><i>xi>sub> nanosheets on Ni foam as an electrocatalyst for efficient

Journal Article

Evaluation of H<sub>2sub> on the Evolution Mechanism of NO<sub><i>xi>sub> Storage and Reductionover Pt–Ba–Ce/γ-Al<sub>2sub>O<sub>3sub> Catalysts

Pan Wang, Jing Yi, Chuan Sun, Peng Luo, Lili Lei

Journal Article

NO<sub><i>xi>sub> and H<sub>2sub>S formation in the reductive zone of air-staged combustion of

Jinzhi CAI, Dan LI, Denggao CHEN, Zhenshan LI

Journal Article

Thermal and Mechanical Properties Optimization of <i>ABi>O<sub>4sub> Type EuNbO<sub>4sub> By the<i>Bi>-Site Substitution of Ta

Lin Chen, Jing Feng

Journal Article

Accounting for the uncertainties in the estimation of average shear wave velocity using – correlations

Journal Article

Superior performance in visible-light-driven hydrogen evolution reaction of three-dimensionally ordered macroporous SrTiO decorated with ZnCdS

Journal Article

CeO doping boosted low-temperature NH-SCR activity of FeTiO catalyst: A microstructure analysis and reaction mechanistic study

Journal Article

Chemical poison and regeneration of SCR catalysts for NO<sub><i>xi>sub>

Junhua LI,Yue PENG,Huazhen CHANG,Xiang LI,John C. CRITTENDEN,Jiming HAO

Journal Article

Recent advances in special morphologic photocatalysts for NO removal

Journal Article

Tailoring the simultaneous abatement of methanol and NO on Sb-Ce-Zr catalysts via copper modification

Journal Article

<i>Ni>-Positive ion activated rapid addition and mitochondrial targeting ratiometric fluorescent probesfor <i>in vivoi> cell H<sub>2sub>S imaging

Yan Shi, Fangjun Huo, Yongkang Yue, Caixia Yin

Journal Article

><i>In situi> growth of phosphorized ZIF-67-derived amorphous CoP/Cu<sub>2sub>O@CF electrocatalyst

Journal Article

Photosynthesis and related metabolic mechanism of promoted rice (<i>Oryza sativai> L.) growth by TiO<sub>2sub> nanoparticles

Yingdan Zhang, Na Liu, Wei Wang, Jianteng Sun, Lizhong Zhu

Journal Article

Effects of Pd doping on N

Mingxin Dong, Jun Wang, Jinxin Zhu, Jianqiang Wang, Wulin Wang, Meiqing Shen

Journal Article