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Atomistic insights into highly active reconstructed edges of monolayer 2H-WSe2 photocatalyst (vol 13, 1256, 2022)

NATURE COMMUNICATIONS 2022年第1期13卷 1256-1256页

作者： Qorbani, Mohammad Sabbah, Amr Lai, Ying-Ren Kholimatussadiah, Septia Quadir, Shaham Huang, Chih-Yang Shown, Indrajit Huang, Yi-Fan Hayashi, Michitoshi Chen, Kuei-Hsien Chen, Li-Chyong Center for Condensed Matter Sciences National Taiwan University Taipei 10617 Taiwan Center of Atomic Initiative for New Materials National Taiwan University Taipei 10617 Taiwan Institute of Atomic and Molecular Sciences Academia Sinica Taipei 10617 Taiwan On leave from Tabbin Institute for Metallurgical Studies Tabbin Helwan 109 Cairo 11421 Egypt Department of Physics National Taiwan University Taipei 10617 Taiwan Nano Science and Technology Taiwan International Graduate Program Academia Sinica Taipei 11529 Taiwan Institute of Physics Academia Sinica Taipei 11529 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei 11529 Taiwan Department of Physics National Central University Taoyuan City 32001 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei 10617 Taiwan Department of Chemistry Hindustan Institute of Technology and Science Chennai 603103 India

Ascertaining the function of in-plane intrinsic defects and edge atoms is necessary for developing efficient low-dimensional photocatalysts. We report the wireless photocatalytic CO2 reduction to CH4 over reconstructed edge atoms of monolayer 2H-WSe2 artificial leaves. Our first-principles calculations demonstrate that reconstructed and imperfect edge configurations enable CO2 binding to form linear and bent molecules. Experimental results show that the solar-to-fuel quantum efficiency is a reciprocal function of the flake size. It also indicates that the consumed electron rate per edge atom is two orders of magnitude larger than the in-plane intrinsic defects. Further, nanoscale redox mapping at the monolayer WSe2–liquid interface confirms that the edge is the most preferred region for charge transfer. Our results pave the way for designing a new class of monolayer transition metal dichalcogenides with reconstructed edges as a non-precious co-catalyst for wired or wireless hydrogen evolution or CO2 reduction reactions. Systematically study of in-plane intrinsic defects and edge atoms is important to guide the design of low-dimensional photocatalysts. Here the authors investigate photocatalytic CO2 reduction to CH4 over reconstructed edge atoms of monolayer semiconducting WSe2.

关键词： Photocatalysis Two-dimensional materials Photocatalysis

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The new potential application for Mg(II) cysteinedithiocarbamate complex with anticancer activity

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Breast Disease 2023年第1期42卷 177-182页

作者： Raya, Indah Kartina, Desy Irfandi, Rizal Sufiandi, Sandi Wijaya, Ronald Ivan Prihantono, Prihantono Abdalrazaq, Eid A. Kandeel, Mahmoud Usman, Andi Nilawati Department of Chemistry Faculty of Mathematics Natural Science Hasanuddin University Makassar Indonesia Eijkman Research Center for Molecular Biology Health Research Organization BRIN Jakarta Indonesia Department of Chemistry Faculty of Mathematics Natural Science Universitas Pakuan Bogor Jawa Barat Indonesia Department of Biology Education Faculty of Teacher Training and Education Universitas Puangrimaggalatung Indonesia Directorate of Laboratory Management Research Facilities Deputy for Research and Innovation Infrastructure - The National Research and Innovation Agency of The Republic of Indonesia and Science and Technology Park Jakarta Indonesia Department of Surgery Faculty of Medical Hasanuddin University Makassar Indonesia Department of Chemistry Faculty of Science Al Hussein Bin Talal University Ma'an Jordan Department of Biomedical Sciences College of Veterinary Medicine King Faisal University Saudi Arabia Midwifery Study Program Hasanuddin University Makassar Indonesia

OBJECTIVE: The new Mg(II) cysteindithiocarbamate complex drug has been synthesized by the in-situ method and tested for its anticancer activity in vitro. METHOD: Mg(II) cysteindithiocarbamate complexes were characterized using Ultra Violet Visible, Infra-Red, melting points, and molar conductivity. RESULTS: The UV-Vis data of cysteindithiocarbamate Mg(II), shows that at 296 nm and 385 nm was occurred the electronic transitions π → π∗ and n → π∗ for CS2 and N =C =S. Whereas the IR data at wavelengths in the 393-540 cm-1 shows that there has coordinated between Mg(II) with Sulfur (S), Nitrogen (N), and Oxygen (O) atoms from cysteinedithiocarbamate ligands. CONCLUSION: The cytotoxicity test results showed that the Mg complex's cytotoxicity was higher than that of the cytotoxicity of the Mg metal without ligands, which means that the Mg complex can be developed as a potential new anticancer drug. © 2023 - IOS Press. All rights reserved.

关键词： anticancer breast disease Complex Mg(II) cytotoxicity

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Temperature Dependence of the Anisotropy of the Infrared Dielectric Properties and Phonon-Plasmon Coupling in N-Doped 4h-Sic

SSRN

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SSRN 2023年

作者： Kazan, Michel Zgheib, C. Bruyant, A. Wu, K.-T. El-Helou, Y. Rahbany, N. Chahal, J. Department of Physics American University of Beirut PO Box 11-0236 Riad El-Solh Beirut1107-2020 Lebanon Light Nanomaterials and Nanotechnology University of Technology of Troyes CNRS ERL 7004 Troyes10004 France Department of Physics National Central University Taoyuan32001 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Institute of Atomic and Molecular Science Academia Sinica Taipei10617 Taiwan Faculty of Natural Sciences & Applied Sciences Notre Dame University-Louaize PO Box 72 Zouk Mosbeh Lebanon

Polarized infrared reflectivity spectroscopy was used to measure the temperature dependence of the anisotropy of the infrared dielectric properties and coupling between phonon and plasmon modes in n-doped 4H-SiC. The advantage of polarized infrared spectroscopy over the commonly used Raman spectroscopy is that it enables dielectric, plasmonic, and transport properties to be probed along and perpendicular to the c-axis, which is impossible with Raman spectroscopy because of its selection rules. In addition, the infrared spectrum, comparatively rare in Raman spectroscopy, can be described at high temperatures using simple classical theory, providing more precise information on the material’s properties. Analysis of the s- and p-polarized infrared reflectivity spectra of an n-doped 4H-SiC substrate shows that the strength and damping of the oscillators, the response of the bound electrons to infrared excitation, the effective ion mass, and the transverse frequency and anharmonicity of the phonons of n-doped 4H-SiC are temperature-sensitive and strongly anisotropic. It also shows that the plasmonic properties of n-doped 4H-SiC, namely the relaxation time and collective oscillation frequency of free electrons, are also highly anisotropic and, owing to the long relaxation time of free electrons in the direction parallel to the c-axis, only the axial longitudinal phonon-plasmon modes split into low-frequency and high-frequency modes at temperatures above 700 K. © 2023, The Authors. All rights reserved.

关键词： Anisotropy

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Atomic excitation delocalization at the clean to disordered interface in a chirally-coupled atomic array

arXiv

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arXiv 2023年

作者： Wu, C.-C. Lin, K.-T. Handayana, I.G.N.Y. Chien, C.-H. Goswami, S. Lin, G.-D. Chen, Y.-C. Jen, H.-H. Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Department of Physics Center for Quantum Science and Engineering National Taiwan University Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taiwan Department of Physics National Central University Taoyuan City320317 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan Trapped-Ion Quantum Computing Laboratory Hon Hai Research Institute Taipei11492 Taiwan

In one-dimensional quantum emitter systems, the dynamics of atomic excitations are influenced by the collective coupling between emitters through photon-mediated dipole-dipole interactions. By introducing positional disorders in a portion of the atomic array, we investigate the delocalization phenomena at the interface between disordered zone and clean zone. The excitation is initialized as symmetric Dicke states in the disordered zone, and several measures are used to quantify the excitation localization. We first use population imbalance and half-chain entropy to investigate the excitation dynamics under time evolutions, and further investigate the crossover of excitation localization to delocalization via the gap ratio from the eigenspectrum in the reciprocal coupling case. In particular, we study the participation ratio of the whole chain and the photon loss ratio between both ends of the atomic chain, which can be used to quantify the delocalization crossover in the non-reciprocal coupling cases. Furthermore, by increasing the overall size or the ratio of the disordered zone under a fixed number of the whole chain, we observe that excitation localization occurs at a smaller disorder strength in the former case, while in the latter, a facilitation of the delocalization appears when a significant ratio of clean zone to disordered zone is applied. Our results can reveal the competition between the clean zone and the disordered zone sizes on localization phenomenon, give insights to non-equilibrium dynamics in the emitter-waveguide interface, and provide potential applications in quantum information processing. Copyright © 2023, The Authors. All rights reserved.

关键词： Photons

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A deep learning system for predicting time to progression of diabetic retinopathy

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NATURE MEDICINE 2024年第2期30卷 358-359页

作者： [Anonymous] Shanghai Belt and Road International Joint Laboratory for Intelligent Prevention and Treatment of Metabolic Disorders Department of Computer Science and Engineering School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University Department of Endocrinology and Metabolism Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai Diabetes Institute Shanghai Clinical Center for Diabetes Shanghai China MOE Key Laboratory of AI School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University Shanghai China Department of Ophthalmology Huadong Sanatorium Wuxi China Department of Ophthalmology Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai China Department of Ophthalmology and Visual Sciences The Chinese University of Hong Kong Hong Kong China Singapore Eye Research Institute Singapore National Eye Centre Singapore Singapore Department of Computer Science and Engineering The Hong Kong University of Science and Technology Hong Kong China Department of Chemical and Biological Engineering The Hong Kong University of Science and Technology Hong Kong China State Key Laboratory of Ophthalmology Zhongshan Ophthalmic Center Sun Yat-sen University Guangdong Provincial Key Laboratory of Ophthalmology and Visual Science Guangzhou China Department of Ophthalmology Peking Union Medical College Hospital Peking Union Medical College Chinese Academy of Medical Sciences Beijing China Medical Records and Statistics Office Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai China Department of Geriatrics Tongji Hospital Tongji Medical College Huazhong University of Science and Technology Wuhan China National Engineering Research Center for Big Data Technology and System Services Computing Technology and System Lab Cluster and Grid Computing Lab School of Computer Science and Tech

We developed and validated a deep learning system (termed DeepDR Plus) in a diverse, multiethnic, multi-country dataset to predict personalized risk and time to progression of diabetic retinopathy. We show that DeepDR Plus can be integrated into the clinical workflow to promote individualized intervention strategies for the management of diabetic retinopathy.

关键词： Diabetes complications Machine learning Predictive markers

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Steady-state phases and interaction-induced depletion in a driven-dissipative chirally-coupled dissimilar atomic array

arXiv

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arXiv 2023年

作者： Chung, Shao-Hung Handayana, I. Gusti Ngurah Yudi Tsao, Yi-Lin Wu, Chun-Chi Lin, G.-D. Jen, H.H. Department of Physics Center for Quantum Science and Engineering National Taiwan University Taipei10617 Taiwan Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taiwan Department of Physics National Central University Taoyuan City320317 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan Trapped-Ion Quantum Computing Laboratory Hon Hai Research Institute Taipei11492 Taiwan

A nanophotonic waveguide coupled with an atomic array forms one of the strongly-coupled quantum interfaces to showcase many fascinating collective features of quantum dynamics. In particular for a dissimilar array of two different interparticle spacings with competing photon-mediated dipole-dipole interactions and directionality of couplings, we study the steady-state phases of atomic excitations under a weakly-driven condition of laser field. We identify a partial set of steady-state phases of the driven system composed of combinations of steady-state solutions in a homogeneous array. We also reveal an intricate role of the atom at the interface of the dissimilar array in determining the steady-state phases and find an alteration in the dichotomy of the phases strongly associated with steady-state distributions with crystalline orders. We further investigate in detail the interaction-induced depletion in half of the dissimilar array. This blockaded region results from two contrasting interparticle spacings near the reciprocal coupling regime, which is evidenced from the analytical solutions under the reciprocal coupling. Our results can provide insights in the driven-dissipative quantum phases of atomic excitations with nonreciprocal couplings and pave the avenues toward quantum simulations of exotic many-body states essential for quantum information applications. Copyright © 2023, The Authors. All rights reserved.

关键词： Atoms

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Bayesian multinomial logistic normal models through marginally latent matrix-T processes

The Journal of Machine Learning Research

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The Journal of Machine Learning Research 2022年第1期23卷 255-296页

作者： Justin D. Silverman Kimberly Roche Zachary C. Holmes Lawrence A. David Sayan Mukherjee College of Information Science and Technology Department of Statistics and Institute for Computational and Data Science Penn State University University Park PA Program in Computational Biology and Bioinformatics Duke University Durham NC Department of Molecular Genetics and Microbiology Duke University Durham NC Department of Molecular Genetics and Microbiology and Center for Genomic and Computational Biology Duke University Durham NC Departments of Statistical Science Mathematics Computer Science Biostatistics & Bioinformatics Duke University Durham NC

Bayesian multinomial logistic-normal (MLN) models are popular for the analysis of sequence count data (e.g., microbiome or gene expression data) due to their ability to model multivariate count data with complex covariance structure. However, existing implementations of MLN models are limited to small datasets due to the non-conjugacy of the multinomial and logistic-normal distributions. Motivated by the need to develop efficient inference for Bayesian MLN models, we develop two key ideas. First, we develop the class of Marginally Latent Matrix-T Process (Marginally LTP) models. We demonstrate that many popular MLN models, including those with latent linear, non-linear, and dynamic linear structure are special cases of this class. Second, we develop an efficient inference scheme for Marginally LTP models with specific accelerations for the MLN subclass. Through application to MLN models, we demonstrate that our inference scheme are both highly accurate and often 4-5 orders of magnitude faster than MCMC.

关键词： Bayesian statistics multivariate analysis count data microbiome gene expression

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Direct Z-Scheme Heterostructure of In Situ Planted ZnO Nanorods on g-C3N4 Thin Sheets Sprayed on TiO2 Layer: A Strategy for Ternary-Photoanode Engineering toward Enhanced Photoelectrochemical Water Splitting

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ACS Applied Energy Materials 2024年第3期7卷 906-918页

作者： Aboubakr, Ahmed Esmail A. Hussien, Mahmoud Kamal Sabbah, Amr Hassan, Ahmed E. Elsayed, Mohamed Hammad Wen, Zhenhai Chen, Kuei-Hsien Hung, Chen-Hsiung Sustainable Chemical Science and Technology Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University Hsinchu30010 Taiwan Institute of Chemistry Academia Sinica 128 Sec 2 Academia Rd. Taipei11529 Taiwan Department of Chemistry Faculty of Science Assiut University Assiut71516 Egypt Center for Condensed Matter Sciences National Taiwan University Taipei10617 Taiwan Tabbin Institute for Metallurgical Studies Tabbin Helwan 109 Cairo11421 Egypt CAS Key Laboratory of Design and Assembly of Functional Nanostructures Fujian Key Laboratory of Nanomaterials Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fujian Fuzhou350002 China University of Chinese Academy of Sciences Beijing100049 China Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Department of Chemistry Faculty of Science Al-Azhar University Cairo11884 Egypt

In this study, we developed an approach to enhance the separation and transfer of charge carriers for photoelectrochemical water splitting in solar-driven hydrogen production. We achieved this by designing a highly efficient Z-scheme TiO2/g-C3N4/ZnO photoanode. The process involved electrodepositing a thin TiO2 layer on FTO and optimizing the in situ ZnO implantation onto g-C3N4. These composites were confirmed by XRD, SEM, EDX, and TEM measurements. The growth of ZnO on g-C3N4 resulted in strong chemical adhesion between the interface of ZnO and g-C3N4, as supported by XPS data, and increased active surface area, as demonstrated by BET. The composition of ZnO and g-C3N4 facilitated rapid charge separation and retarded change recombination through directional charge migration and decreased charge resistance, as evidenced by PEIS and TRPL measurements. Our airbrushing procedure for fabricating the g-C3N4/ZnO composite on TiO2 also enhanced the charge collection efficiency, enabling us to construct a high-performance photoanode. The Z-scheme-type charge migration route was verified by EPR spectroscopy by trapping the radicals generated by charges and holes. PEC-WS measurements showed that TiO2/g-C3N4/ZnO heterostructure improved the produced photocurrent by about 160-, 40-, 20-, 8-, 2-, and 2-fold, relative to pristine g-C3N4, pristine ZnO nanorods, ZnO/g-C3N4 composite, pristine TiO2, TiO2/ZnO, and TiO2/g-C3N4, respectively, versus reversible hydrogen electrode (RHE) at 1.23 V. The charge carriers’ separation and injection measurements showed that the fabrication of this ternary photoanode remarkably improved the PEC-WS performance. DFT results contributed to a deeper understanding of the mechanism of the photocatalytic process and confirmed that the as-fabricated ternary heterojunction promoted the separation/transfer efficiency of the photogenerated charge carriers, thereby promoting the activity of the photocatalytic process. This work could pave the way for bette

关键词： Zinc oxide

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Counteracting lineage-specific transcription factor network finely tunes lung adeno-to-squamous transdifferentiation through remodeling tumor immune microenvironment

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National science Review 2023年第4期10卷 37-55页

作者： Shijie Tang Yun Xue Zhen Qin Zhaoyuan Fang Yihua Sun Chongzhe Yuan Yunjian Pan Yue Zhao Xinyuan Tong Jian Zhang Hsinyi Huang Yuting Chen Liang Hu Dasong Huang Ruiqi Wang Weiguo Zou Yuan Li Roman K.Thomas Andrea Ventura Kwok-Kin Wong Haiquan Chen Luonan Chen Hongbin Ji State Key Laboratory of Cell Biology Shanghai Institute of Biochemistry and Cell BiologyCenter for Excellence in Molecular Cell ScienceChinese Academy of Sciences College of Life Sciences University of Chinese Academy of Sciences Zhejiang University-University of Edinburgh Institute Zhejiang University School of Medicine The Second Affiliated Hospital Zhejiang University School of Medicine Department of Thoracic Surgery Fudan University Shanghai Cancer Center Department of Oncology Shanghai Medical CollegeFudan University School of Life Science and Technology Shanghai Tech University Department of Mathematics Shanghai University Department of Translational Genomics Center of Integrated Oncology Cologne-BonnMedical FacultyUniversity of Cologne Department of Pathology University Hospital Cologne Cancer Biology and Genetics Program Memorial Sloan Kettering Cancer Center Laura and Isaac Perlmutter Cancer Center New York University Langone Medical Center Key Laboratory of Systems Biology Shanghai Institutes for Biological SciencesChinese Academy of Sciences School of Life Science Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesChinese Academy of Sciences

Human lung adenosquamous cell carcinoma(LUAS), containing both adenomatous and squamous pathologies, harbors strong plasticity and is significantly associated with poor prognosis. We established an up-to-date comprehensive genomic and transcriptomic landscape of LUAS in 109 Chinese specimens and demonstrated LUAS development via adeno-to-squamous transdifferentiation. Unsupervised transcriptomic clustering and dynamic network biomarker analysis identified an inflammatory subtype as the critical transition stage during LUAS development. Dynamic dysregulation of the counteracting lineage-specific transcription factors(TFs), containing adenomatous TFs NKX2-1 and FOXA2, and squamous TFs TP63 and SOX2, finely tuned the lineage transition via promoting CXCL3/5-mediated neutrophil infiltration. Genomic clustering identified the most malignant subtype featured with STK11-inactivation, and targeting LSD1 through genetic deletion or pharmacological inhibition almost eradicated STK11-deficient lung tumors. These data collectively uncover the comprehensive molecular landscape, oncogenic driver spectrum and therapeutic vulnerability of Chinese LUAS.

关键词： LUAS ALK fusion counteracting TF regulatory network CXCL3/CXCL5 LSD1

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Infrared Photoinduced Force Near-Field Spectroscopy of Silicon Carbide

SSRN

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SSRN 2024年

作者： Wu, Kuan-Ting El-Helou, Youssef Usureau, Elise Vuillermet, Enora Kazan, Michel Lazar, Mihai Gautier, Gaël Woon, Wei-Yen Bruyant, Aurelien Light Nanomaterials and Nanotechnology Université de Technologie de Troyes CNRS UMR 7076 Troyes10004 France Department of Physics National Central University Taoyuan32001 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Institute of Atomic and Molecular Science Academia Sinica Taipei10617 Taiwan Department of Physics American University of Beirut P.O.Box 11-0236 Riad El-Solh Beirut1107-2020 Lebanon GREMAN INSA Centre Val de Loire Université de Tours CNRS UMR 7347 Tours37071 France

Silicon carbide (SiC) is a promising microelectronic semiconductor whose infrared response depends on the considered polytype, growth conditions or structuring. Recent advances in infrared nano-imaging techniques offer new characterization opportunities to assess the quality of material thin films at the nanoscale. We conducted tip-enhanced near-field spectral characterization on several 4H-SiC sample surfaces using photoinduced-force microscopy (PiFM). The near-field spectra contains a peak related to a surface phonon polariton (SPhP) resonance, which is found to be highly sensitive to the surface quality of the material. We also show that such PiFM spectra can be accounted for by expressing the power absorption at the tip-sample junction, which is enhanced by the effective tip polarizability, blending the expected dispersive and dissipative spectral line shapes. © 2024, The Authors. All rights reserved.

关键词： Silicon carbide

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