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Applications of in-situ solid-state nuclear magnetic resonance in methanol to olefins reaction

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Science China Chemistry 2025年第1期68卷 134-151页

作者： Jing Niu Shutao Xu Yingxu Wei Zhongmin Liu national Engineering research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of Sciences State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

The methanol-to-olefins（MTO） reaction offers an alternative pathway for the production of low-carbon olefins from non-oil feedstocks. Fundamental research has been impeded by a lack of comprehensive understanding of its underlying mechanism,despite the significant progress made in industry. In-situ solid-state nuclear magnetic resonance（ss NMR） spectroscopy has emerged as a pivotal tool, offering crucial insights into key species under real-time operando conditions. Furthermore, the host–guest interaction between zeolites or surface species residing on zeolites and the reactant/active intermediates is revealed by the combination of in-situ13C MAS NMR and 2D correlation spectroscopy. Moreover, recent technological advancements in hyperpolarization（HP） methods, including HP129Xe NMR and dynamic nuclear polarization（DNP）, have significantly improved the sensitivity of ss NMR, enabling detailed structural and kinetic analysis as well as the detection of trace species. In this feature article, we summarized recent advancements in（in-situ） ss NMR spectroscopy applied to MTO reaction processes,encompassing mechanistic investigations at various stages and the intricate host–guest interactions. These theoretical insights into the dynamic evolution of MTO reactions lay a solid foundation for the optimization of catalytic processes and the development of efficient catalysts, thereby advancing the techniques towards more sustainable and economical production route for olefins.

关键词： MTO zeolites in-situ ssNMR reactive intermediates reaction mechanism

Sky location of massive black hole binaries in the foreground of Galactic white dwarf binaries

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Science China(physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 97-108页

作者： Pan Guo Hong-Bo Jin Cong-Feng Qiao Yue-Liang Wu The International centre for Theoretical physics Asia-Pacific University of Chinese Academy of Sciences The School of Physical Sciences University of Chinese Academy of Sciences Institute for Frontiers in Astronomy and Astrophysics Beijing Normal University national Astronomical Observatories Chinese Academy of Sciences Institute of Theoretical physics Chinese Academy of Sciences

For space-based gravitational wave （GW） detection,the main noise source for massive black hole binaries （MBHBs） is attributed to approximately 10～7double white dwarf binaries in the *** a GW source,the amplitude of the detector response,recorded by a space-based gravitational wave detector,exhibits a modulation effect with a year period when observing the source from various orbital *** the adverse conditions mentioned above,where there is a strong foreground noise and annual modulation in the signals,we employed the wavelet transform and the strong-amplitude relevant orbital position search methods,which allows the weak MBHB sources to achieve higher locating *** detail,for two MBHB sources of lower intensity,the precision of luminosity distance,represented by the ratio ?DL/DLat the 95%confidence level,is enhanced by factors of ～*** angular resolutions,denoted by??s,are enhanced by a factor of ～*** improvements increase the number of detectable GW sources,facilitate multi-messenger follow-up observations and provide constraints on the cosmological constant.

关键词： space-based gravitational wave detection gravitational waves massive black hole binaries

The detection, extraction and parameter estimation of extreme-mass-ratio inspirals with deep learning

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Science China(physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 86-96页

作者： Qianyun Yun Wen-Biao Han Yi-Yang Guo He Wang Minghui Du Hangzhou Institute for Advanced Study University of Chinese Academy of Sciences Shanghai Astronomical Observatory Chinese Academy of Sciences School of physics and Astronomy Shanghai Jiao Tong University School of Astronomy and Space Science University of Chinese Academy of Sciences Taiji Laboratory for Gravitational Wave Universe (Beijing/Hangzhou) University of Chinese Academy of Sciences Lanzhou Center for Theoretical physics Key Laboratory of Theoretical Physics of Gansu Province Key Laboratory of Quantum Theory and Applications of MoE Lanzhou University Institute of Theoretical physics & research Center of Gravitation Lanzhou University International centre for Theoretical physics Asia-Pacific (ICTP-AP) University of Chinese Academy of Sciences (UCAS) Center for Gravitational Wave Experiment National Microgravity Laboratory Institute of Mechanics Chinese Academy of Sciences

One of the primary goals of space-borne gravitational wave detectors is to detect and analyze extreme-mass-ratio inspirals(EMRIs). This task is particularly challenging because EMRI signals are complex, lengthy, and faint. In this work, we introduce a2-layer convolutional neural network(CNN) approach to detect EMRI signals for space-borne detectors, achieving a true positive rate(TPR) of 96.9% at a 1% false positive rate(FPR) for signal-to-noise ratio(SNR) from 50 to 100. Especially, the key intrinsic parameters of EMRIs such as the mass, spin of the supermassive black hole(SMBH) and the initial eccentricity of the orbit can also be inferred directly by employing a neural network. The mass and spin of the SMBH can be determined at 99% and 92% respectively. This will greatly reduce the parameter spaces and computing cost for the following Bayesian parameter *** model also has a low dependency on the accuracy of the waveform model. This study underscores the potential of deep learning methods in EMRI data analysis, enabling the rapid detection of EMRI signals and efficient parameter estimation.

关键词： gravitational wave EMRIs deep-learing

A robust statistical prediction model for late-summer heavy precipitation days in North China

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Science China Earth Sciences 2025年第1期68卷 158-171页

作者： Shunli JIANG Tingting HAN Xin ZHOU Huijun WANG Zhicong YIN Xiaolei SONG Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters/Key Laboratory of Meteorological Disaster Ministry of Education Nanjing University for Information Science and Technology Nansen-Zhu International research centre Institute of Atmospheric Physics Chinese Academy of Sciences Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai)

Recently, heavy precipitation(HP) events have occurred frequently in North China(NC), causing devastating economic losses and human fatalities. However, the short-term climate prediction of HP is quite limited. Combining year-to-year increment(DY) method and sliding correlations, we developed a robust seasonal prediction model for late-summer HP days(HPDs) in NC during 1982–2022, utilizing three independent predictors—February sea surface temperature(SST) in the Indian Ocean(SST＿IO), February snow depth over North Asia(SDE＿NA), and May melted snow depth in NC(MSDE＿NC). The SST＿IO anomalies affect NC's precipitation through the Pacific-Japan pattern. The SDE＿NA anomalies are associated with East Asian anomalous anticyclone by southeastern propagation of Rossby wave at Eurasia. The MSDE＿NC anomalies are followed by vertical motion and moisture anomalies in situ and thereby cause precipitation anomalies. This prediction model can well simulate the variations of the HPDs, with a correlation coefficient(CC) of 0.81(0.65) between the observed and predicted HPDs＿DY(HPDs＿anomaly). The percentage with the same sign for 15 extreme HPDs＿anomaly years(PSSE) is 100%.Moreover, in the cross-validation test during 1982–2022, the PSSE for HPDs＿anomaly is as high as 100%, along with a low rootmean-square error of 1.14. For independent hindcasts during 2013–2022, the CC between the observed and predicted HPDs＿DY(HPDs＿anomaly) is 0.93(0.83), together with high Nash-Sutcliffe efficiency(0.82) and agreement index(0.89). Specifically, the predictions are broadly consistent with the observations for 2015, 2016, 2017, 2021, and 2022, reflecting excellent performance of this prediction model of HPDs in NC.

关键词： Heavy precipitation at North China Year-to-year increment approach Robust seasonal prediction Sea surface temperature Snow depth

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Assembly of functional carboxymethyl cellulose/polyethylene oxide/anatase TiO_(2) nanocomposites and tuning the dielectric relaxation, optical, and photoluminescence performances

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Journal of Semiconductors 2024年第7期45卷 26-38页

作者： Asmaa M.Ismail Abeer A.Reffaee Fawzy G.El Desouky Spectroscopy Department Physics Research InstituteNational Research CentreGizaCairo 12622Egypt microwave physics and Dielectrics Department National Research CentreDokkiCairoEgypt Solid State physics Department Physics Research InstituteNational Research CentreGizaCairo 12622Egypt

Nanocomposite films consisting of carboxymethyl cellulose,polyethylene oxide(CMC/PEO),and anatase titanium diox-ide(TO)were produced by the use of sol-gel and solution casting ***2 nanocrystals were effectively incorporated into CMC/PEO polymers,as shown by X-ray diffraction(XRD)and attenuated total reflectance fourier transform infrared(ATR-FTIR)*** roughness growth is at high levels of TO nanocrystals(TO NCs),which means increasing active sites and defects in CMC/*** differential scanning calorimetry(DSC)thermograms,the change in glass transition temperature(Tg)val-ues verifies that the polymer blend interacts with TO *** increment proportions of TO NCs have a notable impact on the dielectric performances of the nanocomposites,as *** electrical properties of the CMC/PEO/TO nanocomposite undergo significant *** nanocomposite films exhibit a red alteration in the absorption edge as the concentration of TO NCs increases in the polymer *** decline in the energy gap is readily apparent as the weight percentage of TO NCs *** photoluminescence(PL)emission spectra indicate that the sites of the luminescence peak maximums show slight variation;peaks get wider,while their intensities decrease dramatically as the concentration of TO *** nanocomposite materials show potential for multifunctional applications including optoelectronics,antireflection coatings,pho-tocatalysis,light emitting diodes,and solid polymer electrolytes.

关键词： anatase TiO_(2) CMC/PEO nanocomposites optical photoluminescent electrical optoelectronics

Effect of Sintering Temperature and Zinc Content on Some Properties of Li-Zn Ferrites

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Journal of Materials Science & Technology 1996年第5期12卷 329-334页

作者： A.M.El-Saird (Inorganic Chemistry dept., national research centre, dokki, Cairo, Egypt)S.B.Hanna(Refractories and Building Materials dept., national research centre, dokki, Cairo, Egypt) Inorganic Chemistry dept. National Research Centre Dokki Cairo Egypt Refractories and Building Materials dept. National Research Centre Dokki Cairo Egypt

Li-Zn mixed ferrites with composition formula ZnxLi0.5-x/2Fe2.5-x/2O4 (0.2≤x≤0.8) were prepared by the usual ceramic method in 1000~1150℃. The effects of Zn substitution and sintering temperature on the formation, densification, microstructure and a.c. electrical conductivity have been studied. Under the effect of changing the firing temperature and Zn content, high sintered Li-Zn ferrite bodies are achieved. More fine structure bodies having high electrical resistance are obtained at high Zn content

关键词： Li BDH Effect of Sintering Temperature and Zinc Content on Some Properties of Li-Zn Ferrites Zn

Calibration of the Solar X-ray Detector on-board the Macao Science Satellite-1B for Soft X-ray Detection

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Science China Earth Sciences 2025年第1期68卷 11-26页

作者： Man-Hei NG Xiaoping ZHANG Jianwu CHEN Yongqiang SHI Fuchang ZUO Wenxi PENG Weichun FU Liansheng LI Pengwei LUO Chi-Long TANG Guozheng ZHANG Zhiwu MEI Li WANG Cunhui LI Jiaming OU Yanyan XU State Key Laboratory of Lunar and Planetary Sciences Macau University of Science and Technology China national Space Administration (CNSA) Macau Center for Space Exploration and Science Space Optoelectronic Measurement and Perception Laboratory Beijing Institute of Control Engineering Institute of High Energy physics Chinese Academy of Sciences Science and Technology on Vacuum Technology and physics Laboratory Lanzhou Institute of Physics

The Solar X-ray Detector(SXD) on-board the Macao Science Satellite-1B(MSS-1B) was successfully launched via the Chinese Long March-2C rocket on 21 May 2023, and commenced operations in early June of the same year. The MSS-1B/Soft X-ray Detection Units(SXDUs) employ two silicon drift detectors(SDDs), providing a wide range of energy spectra spanning from 0.7 to 24 keV. Notably, the SXDUs deliver a high-resolution capability of 0.14 keV@5.9 keV and operate with a time cadence of 1 second. Here, we perform thorough calibrations of the MSS-1B/SXDUs, employing a combination of ground experiments and simulations. In addition, quantitative analysis comparing the flux measurements obtained by the MSS-1B/SXDUs to the data collected by the Geostationary Operational Environmental Satellite(GOES), provides compelling evidence of their consistency. Furthermore, the preliminary spectral analysis results showcase the robustness and expected performance of the MSS-1B/SXDUs, unlocking their potential for facilitating the study of dynamic evolution of solar flares. Moreover, the innovative MSS-1B/Solar X-ray Detector facilitates concurrent observations of solar soft and hard X-rays, thereby making valuable contributions to the advancements in solar research.

关键词： Macao Science Satellite-1B (MSS-1B) Calibration Solar X-Ray Detector Spectrometer Soft X-rays Solar flares Solar abundances

Indole and Its Derivatives as Corrosion Inhibitors for C-Steel during Pickling

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Journal of Materials Science & Technology 2000年第3期16卷 291-296页

作者： S.H.Sanad, A.A.Ismail and A.A.El-Meligi (Physical Chemistry dept., national research centre, dokki, Cairo, Egypt) Physical Chemistry dept. National Research Centre Dokki Cairo Egypt

The corrosion of three types of C-steel in 10% hydrochloric acid solution has been investigated in the absence and the presence of the inhibitors, indole (A), indole acetic acid (B), indole butyric acid (C), and 3-acetyl indole (D), by weight-loss measurements at different temperatures (30～70℃). The results showed that inhibiting efficiency depended upon the presence of the substituted groups in the pyrrole ring. The inhibiting efficiency of the inhibitors increased in the order: Inh. C

关键词： Carbon steel

Efficiency of Chalcone Compounds Inhibitors for Acid Corrosion of Al and Al-3.5Mg Alloy

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Journal of Materials Science & Technology 1996年第4期12卷 267-272页

作者： I. Z. Selim A. A. Khedr and K.M.EI-Sobki(Physical Chemistry dept., national research centre, dokki, Cairo, Egypt) Physical Chemistry dept. National Research Centre Dokki Cairo Egypt

Corrosion inhibition of Al and Al-3.5Mg alloy by organic compounds, namely chalcones in hydrochloric acid solutions has been investigated by rapid polarization technique and weight loss method. Polarization measurements show that, the inhibitors act cathodically both in case of Al and Al-3.5Mg alloy. It was found from the weight loss measurements that, the inhibition efficiency depends on the substituent in the chalcone compound. The relative inhibitive efficiency of these compounds has been explained on the basis of structure dependent electron donor properties of the inhibitors and the metal inhibitor interaction on the surface. The inhibition efficiency ranges from 16 to 64% for Al and from 30% to 91% for Al-3.5Mg alloy

关键词： Al Efficiency of Chalcone Compounds Inhibitors for Acid Corrosion of Al and Al-3.5Mg Alloy