A5030697473- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Photochemistry and Electron Transfer Studies
- Spectroscopy and Laser Applications
- Photosynthetic Processes and Mechanisms
- Photoreceptor and optogenetics research
- Quantum Information and Cryptography
- Quantum and electron transport phenomena
- Epigenetics and DNA Methylation
- China's Ethnic Minorities and Relations
- Genetic diversity and population structure
- Molecular Junctions and Nanostructures
- Quantum optics and atomic interactions
- Bladder and Urothelial Cancer Treatments
- Genomics and Phylogenetic Studies
- Quantum, superfluid, helium dynamics
- Strong Light-Matter Interactions
- Molecular spectroscopy and chirality
- Advanced Thermodynamics and Statistical Mechanics
- Genetic and phenotypic traits in livestock
- Cancer Research and Treatments
- Mechanical and Optical Resonators
- Photonic and Optical Devices
- Energy, Environment, Economic Growth
- Cancer-related molecular mechanisms research
Zhejiang Lab
2022-2024
BeiGene (China)
2024
South China University of Technology
2020-2024
Guangzhou Medical University
2014-2024
Guangzhou First People's Hospital
2014-2024
Max Planck Institute for the Physics of Complex Systems
2020-2023
Jinan University
2020-2023
Qilu Hospital of Shandong University
2019-2023
Zhejiang Hospital
2020-2023
Zhongnan University of Economics and Law
2023
The highly intra-tumoral heterogeneity and complex cell origination of prostate cancer greatly limits the utility traditional bulk RNA sequencing in finding better biomarker for disease diagnosis stratification. Tissue specimens based single-cell holds great promise identification novel biomarkers. However, this technique has yet been used study heterogeneity.
Abstract Background KDM6A, a histone demethylase, is frequently mutated in bladder cancer (BCa). However, the role and detailed molecular mechanism of KDM6A involved progression remains unknown. Methods Tissue specimens were used to determine expression levels prognostic values ARHGDIB. The MTT, colony formation, wound healing Transwell migration invasion assays employed detect BCa cell proliferation, invasion, respectively. Chemotaxis macrophages was evaluate ability recruit macrophages. A...
Photosystem II (PSII) reaction center (RC) is a unique complex that capable of efficiently separating electronic charges across the membrane. The primary energy- and charge-transfer (CT) processes occur on comparable ultrafast timescales, which makes it extremely challenging to understand fundamental mechanism responsible for near-unity quantum efficiency transfer. Here, we elucidate role coherences in energy CT PSII RC by performing two-dimensional (2D) spectroscopy at cryogenic temperature...
Dynamics of a one-dimensional Holstein molecular crystal model is investigated by making use the hierarchical equations motion (HEOM) introduced Tanimura and Kubo [J. Phys. Soc. Jpn. 1989, 104, 101]. Our extended, numerically exact HEOM approach capable treating exciton-phonon coupling in nonperturbative manner applicable to any temperature. It revealed that strong exciton phonon leads excitonic localization, while large transfer integral facilitates transport. Temperature effects on...
Dynamics of the sub-Ohmic spin-boson model is investigated by employing a multitude Davydov D$_1$ trial states, also known as multi-D$_1$ Ansatz. Accuracy in dynamics simulations improved significantly over single Ansatz, especially weak system-bath coupling regime. The reliability Ansatz for various strengths and initial conditions are systematically examined, with results compared closely those hierarchy equations motion path integral Monte Carlo approaches. In addition,...
By employing the Dirac-Frenkel time-dependent variational principle, we study dynamical properties of Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling. A linear combination Davydov D$_1$ (D$_2$) Anstaz, referred to as multi-D$_1$ Ansatz (multi-D$_2$ Ansatz), is used trial state enhanced accuracy but without sacrificing efficiency. The time evolution exciton probability found be in perfect agreement that hierarchy equations motion, demonstrating promise...
Singlet fission is a spin-allowed energy conversion process whereby singlet excitation splits into two spin-correlated triplet excitations residing on adjacent molecules and has potential to dramatically increase the efficiency of organic photovoltaics. Recent time-resolved nonlinear spectra pentacene derivatives have shown importance high frequency vibrational modes in efficient fission. In this work, we explore impacts vibration-induced fluctuations dynamics through quantum calculations...
Combining the multiple Davydov D2 Ansatz with method of thermo-field dynamics, we study finite temperature dynamics a Holstein polaron on lattice. It has been demonstrated, using hierarchy equations motion as benchmark, that our approach provides an efficient, robust description in simultaneous presence diagonal and off-diagonal exciton-phonon coupling. The handles effects Hilbert space key numerical advantages over other treatments finite-temperature based quantum master Liouville or wave...
The effect of a dissipative environment on the ultrafast nonadiabatic dynamics at conical intersections is analyzed for two-state two-mode model chosen to represent S2(ππ*)-S1(nπ*) intersection in pyrazine (the system) which bilinearly coupled infinitely many harmonic oscillators thermal equilibrium bath). system-bath coupling modeled by Drude spectral function. equation motion reduced density matrix system solved numerically exactly with hierarchy method using graphics-processor-unit (GPU)...
Abstract This review provides a bird's eye view over the development of hierarchy Davydov's Ansätze and its applications in variety problems computational physical chemistry. original solitons appeared 1970s as candidate for vibrational energy carriers proteins, thanks to their association with Fröhlich Hamiltonian Holstein molecular crystal model. Momentum‐space projection those solitary waves emerged be great approximations ground‐state wave functions extended Hamiltonian, lending...
In the primary step of natural light harvesting, solar photon energy is captured in a photoexcited electron–hole pair, or an exciton, chlorophyll. Its conversion to chemical potential occurs special pair reaction center, which reached by downhill ultrafast excited-state transport through network chromophores. Being inherently quantum, could principle occur via matter wave, with vast implications for efficiency. How long wave remains coherent determined intensity exciton disturbed noisy...
In this paper, we present a new method for calculating linear absorption spectra large molecular aggregates, called dyadic adaptive HOPS (DadHOPS). This combines the (adHOPS) framework, which uses locality to improve computational scaling, with previously developed calculate and non-linear spectroscopic signals. To construct local representation of HOPS, introduce an initial state decomposition reconstructs from sum over locally excited conditions. We demonstrate conditions can be...
Treated traditionally by the Ehrenfest approximation, dynamics of a one-dimensional molecular crystal model with off-diagonal exciton-phonon coupling is investigated in this work using Dirac-Frenkel time-dependent variational principle multi-D2Ansatz. It shown that method equivalent to our single D2Ansatz, and multi-D2Ansatz, accuracy simulated significantly enhanced comparison semi-classical dynamics. The multi-D2Ansatz able capture numerically accurate exciton momentum probability help...
Following the Dirac-Frenkel time-dependent variational principle, transient dynamics of a one-dimensional Holstein polaron with diagonal and off-diagonal exciton-phonon coupling in an external electric field is studied by employing multi-D$_2$ {\it Ansatz}, also known as superposition usual Davydov D$_2$ trial states. Resultant has significantly enhanced accuracy, perfect agreement that derived from hierarchy equations motion method. Starting initial broad wave packet, exciton undergoes...
We studied spectroscopic signatures of the nonadiabatic dynamics at conical intersections formed by lowest excited singlet states in pyrazine. considered two ab initio models pyrazine developed Sala et al. [Phys. Chem. Phys. 16, 15957 (2014)]: a two-state (B2u and B3u), five-mode model three-state (B2u, B3u, Au), nine-mode model. simulated signals three widely used techniques: time- frequency-resolved fluorescence spectroscopy, transient absorption pump–probe electronic two-dimensional...
An ab initio theoretical framework for the simulation of femtosecond time-resolved transient absorption (TA) pump–probe (PP) spectra with quasi-classical trajectories is presented. The simulations are based on classical approximation to doorway–window (DW) representation third-order four-wave-mixing signals. DW formula accounts finite duration and spectral shape pump probe pulses. In formalism, stochastically sampled from a positive definite doorway distribution, signals evaluated by...
First-generation Bruton tyrosine kinase (BTK) inhibitor, ibrutinib, has been associated with an increased risk of cardiovascular toxicities. Zanubrutinib is a more selective, next-generation BTK inhibitor. In this analysis, incidence rates atrial fibrillation, symptomatic (grade ≥2) ventricular arrhythmia, and hypertension were evaluated in pooled analysis 10 clinical studies zanubrutinib monotherapy patients (N = 1550) B-cell malignancies head-to-head comparing ibrutinib (ASPEN cohort 1;...
The Dirac-Frenkel time-dependent variational approach with Davydov Ans\"atze is a sophisticated, yet efficient technique to obtain an acuurate solution many-body Schr\"odinger equations for energy and charge transfer dy- namics in molecular aggregates light-harvesting complexes. We extend this finite temperatures dynamics of the spin-boson model by adopting Monte Carlo importance sampling method. In or- der demonstrate applicability approach, we compare real-time quantum calculated that from...
Dynamics of the two-spin spin-boson model in presence Ohmic and sub-Ohmic baths is investigated by employing a multitude Davydov D1 trial states, also known as multi-D1 Ansatz. Its accuracy dynamics simulations SBM improved significantly over single Ansatz, especially weak to moderately strong coupling regime. Validity Ansatz for various strengths systematically examined making use deviation vector which quantifies how faithfully state obeys Schrödinger equation. The time evolution...
The dynamics of a coupled electron–boson system is investigated by employing multitude the Davydov D1 trial states, also known as multi-D1 Ansatz, and second state based on superposition time-dependent generalized coherent (GCS Ansatz). two Ansätze are applied to study population in spin-boson model Holstein molecular crystal model, detailed comparison with numerically exact results obtained (multilayer) multiconfiguration Hartree method hierarchy equations motion approach drawn. It found...