张常哲｜山东师范大学｜学者主页

2026

Polarity-gated stepwise ESDPT in a DHNA-based chalcone: Theoretical prediction of switchable visible/NIR dual emission

Yongkang Lyu, Xiaotong Ren, Jiying Wang, 世涛韩, Xue Chen, Qingtian Meng, Changzhe Zhang

Dyes and Pigments

DOI

2025

Strategy on screening fluorescent guanine analogues to specifically detect 5-carboxylcytosine adduct

Mingming 明明 Zhang 张，Zhizheng 智正 Cao 曹，Xixi Cui，Xiaolin Chen，Changzhe Zhang，Qingtian Meng

Chinese Physics B

DOI

2025

Photophysical property of fluorescent guanine analogs for selectively recognizing acetylated cytosine: A theoretical study

Xiaolin Chen, Xixi Cui, Yongkang Lyu, Chenyang Zhang, Changzhe Zhang, Qingtian Meng

Chinese Physics B

DOI

2025

Interaction mechanism of FLAK50 anticancer peptide with phospholipid bilayer membranes: Molecular dynamics investigation

Hongxiu Yuan, Yongkang Lyu, Changzhe Zhang, Qingtian Meng

Chemical Physics

DOI

2025

Unraveling the excited-state double proton transfer mechanism associated with solvent-polarity-sensitive photoluminescence of 1,8-dihydroxy-2-naphthaldehyde analogue

Yongkang Lyu, Zhizheng Cao, Xiaofeng Li, Yu Zhao, Qingtian Meng, Changzhe Zhang

Journal of Photochemistry and Photobiology A Chemistry

DOI

2025

Electric field-modulated dissociation of dinitrophenol pollutants adsorbed on graphene oxide: insights from molecular dynamics simulations

Yongkang Lyu, Zhizheng Cao, Xiaotong Ren, Yonglin Cui, Changzhe Zhang, Qingtian Meng

Chemical Engineering Science

DOI

2025

Quasi-Intrinsic Fluorescent Probes for Sensitive Detection of the Carcinogenic DNA Adduct ABPdG via Push–Pull Electronic Effect-Mediated Intermolecular Charge Transfer

Zhizheng Cao, Yongkang Lyu, Xixi Cui, Jianzhong Fan, Shicai Xu, Qingtian Meng, Changzhe Zhang

Journal of Chemical Information and Modeling

DOI

2025

Unraveling electronic structure and aromaticity differences in cyclo[12]carbon (C12), B4C4N4, and B6N6 isoelectronic ring molecules

Yongkang Lyu, Zhizheng Cao, Fu-Liang Zhang, Yonglin Cui, Changzhe Zhang, Qingtian Meng

The Journal of Chemical Physics

DOI

2025

Intermolecular interaction mechanisms between dinitrophenol and water: a molecular dynamics and DFT study

Yongkang Lyu, Xu Chang He, Hongxiu Yuan, Yonglin Cui, Changzhe Zhang, Qingtian Meng

The European Physical Journal Plus

DOI

2025

Quasi-intrinsic cytosine analogues for two-photon photodynamic therapy with Type I/II mechanism

Zhizheng Cao, Yongkang Lyu, Jianzhong Fan, Xixi Cui, Qingtian Meng, Changzhe Zhang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2025

ESDPT induced dual-tautomer fluorescence of newly designed 1,8-dihydroxy-2-naphthaldehyde analogue with different solvent polarity

Lyu Yongkang, Xu Chang He, Cui Yonglin, Meng Qingtian, Changzhe Zhang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2025

Enhancing excited-state population of perylenequinone photosensitizer with asymmetric laser pulses

Yongkang Lyu, Yu Zhao, Qingtian Meng, Changzhe Zhang

Applied Physics Letters

DOI

2024

Design and photophysical characterization of quasi-intrinsic fluorescent probes utilized in DNA sequencing

Yaning 雅宁 Zhang 张，Yongkang Lyu，Zhizheng 智正 Cao 曹，Xiaolin Chen，Qingtian Meng，Changzhe Zhang

Chinese Physics B

DOI

2024

Analysis of Interaction Features of Cyclo[13]carbon with Small Molecules and Formation Mechanism of Its Dimer

Yongkang Lyu, Yonglin Cui, Xu Chang He, Changzhe Zhang, Qingtian Meng

The Journal of Organic Chemistry

DOI

2024

Mechanics of poly-arginine adsorption onto cell membrane by GM1 and their cluster forming: Coarse-grained molecular dynamics study

Yongkang Lyu, Yonglin Cui, Xiaolin Chen, Hao Shen, Xu Chang He, Changzhe Zhang, Qingtian Meng

Journal of Molecular Structure

DOI

2024

Designing Quasi-Intrinsic Photosensitizers with Dual Function of Fluorescence Imaging and Photodynamic Therapy

Xixi Cui, Jianzhong Fan, Yang Gao, Xucong Zhou, Changzhe Zhang, Qingtian Meng

Journal of Medicinal Chemistry

DOI

2024

Effect of number of intramolecular double bonds on photophysical properties and ESIPT processes for Cha-NH2 and its derivatives: A theoretical study

Xucong Zhou, Xin Wang, Xixi Cui, Yu Zhao, Xiangguo Meng, Qinghua Wang, Changzhe Zhang, Jianming Liu, Meng Qingtian

Journal of Molecular Liquids

DOI

2024

ESIPT-associated fluorescent property and AIE characteristic of multifunctional nanoprobe DPNAP

Yu Zhao, Menghuan Jiang, Xiao‐Ming Xiu, Changzhe Zhang, Xucong Zhou, Qingtian Meng, Yuhui Liu

Journal of Molecular Liquids

DOI

2024

Newly Designed Quasi-intrinsic Photosensitizers for Fluorescence Image-Guided Two-Photon Photodynamic Therapy with Type I/II Photoreactions

Xixi Cui, Hongxiu Yuan, Xiaolin Chen, Qingtian Meng, Changzhe Zhang

Journal of Medicinal Chemistry

DOI

2024

How antimicrobial peptide indolicidin and its derivatives interact with phospholipid membranes: Molecular dynamics simulation

Hongxiu Yuan, Yongkang Lyu, Xixi Cui, Changzhe Zhang, Qingtian Meng

Journal of Molecular Structure

DOI

2024

Theoretical Insights into the Effect of Different Numbers of Thiophene Groups on Hydrogen Bond Interaction and Excited-State Intramolecular Proton-Transfer Process for Flavonoid Derivatives

Xucong Zhou, Xin Wang, Xixi Cui, Yu Zhao, Changzhe Zhang, Xiangguo Meng, Qinghua Wang, Jin Pei Zhou, Qingtian Meng

The Journal of Physical Chemistry A

DOI

2024

Quasi-intrinsic thiobase derivatives as potential targeted photosensitizers in two-photon photodynamic therapy

Xixi Cui, Jianzhong Fan, Yongkang Lyu, Xucong Zhou, Qingtian Meng, Changzhe Zhang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2024

Theoretical study on ESIPT mechanism for 5’-amino-2-(2’-hydroxyphenyl) benzimidazole probe in detecting phosgene

Xucong Zhou, Yu Zhao, Xixi Cui, Zhenchuan Wen, Yuying Yang, Changzhe Zhang, Qingtian Meng

Molecular Physics

DOI

2024

Thio-naphthalene-modified artificial bases as targeted photosensitizers for two-photon photodynamic therapy

Xixi Cui, Jianzhong Fan, Yongkang Lyu, Changzhe Zhang, Qingtian Meng

Journal of Molecular Structure

DOI

2024

Effect of GM1 concentration change on plasma membrane: molecular dynamics simulation and analysis

Yongkang Lyu, Shuo Chen, Yu Zhao, Hongxiu Yuan, Chenyang Zhang, Changzhe Zhang, Qingtian Meng

Physical Chemistry Chemical Physics

DOI

2023

Theoretical study on fluorescent T-analogues for selective recognition of 2-aminoadenine (Z) in aqueous solution via base-pair induced ESICT mechanism

Xiao Zhang, Xiao Zhang, Lingjie Duan, Yaning Zhang, Yaning Zhang, Yaning Zhang, Qingtian Meng, Changzhe Zhang

Journal of Molecular Liquids

DOI

2023

Simulation for fluorescence detection of O4-methylthymidine with definite photophysical characteristics

Chenyang Zhang, Chenyang Zhang, Yu Zhao, Menglu Cui, Xixi Cui, Changzhe Zhang, Changzhe Zhang, Qingtian Meng

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2023

External Electric Field Effects on AFM-like Magnetism in Nitroxide-Functionalized C+:C Base Pair

Yu Zhao, Menglu Cui, Yongkang Lyu, Wen Gao, Xixi Cui, Changzhe Zhang, Qingtian Meng

Journal of Chemical Information and Modeling

DOI

2023

Quasi-intrinsic fluorescent probes for detecting the DNA adduct ( ABP dG) based on an excited-state intermolecular charge transfer mechanism

Lingjie Duan, Xiao Zhang, Yu Zhao, Qingtian Meng, Changzhe Zhang

Physical Chemistry Chemical Physics

DOI

2022

Theoretical Simulation on Regulating the Magnetic Coupling Properties of Diradical Artificial Bases

Menglu Cui, Yu Zhao, Wen Gao, Xixi Cui, Chenyang Zhang, Chenyang Zhang, Changzhe Zhang, Changzhe Zhang, Qingtian Meng

The Journal of Physical Chemistry A

DOI

2022

Photoisomerization and ultrasensitive fluorescence detection of toxic deoxyguanosine adduct ANdG: a theoretical study

Yu Zhao, Xixi Cui, Qingtian Meng, Changzhe Zhang

Journal of Physics D Applied Physics

DOI

2022

Effects of substituent and excess electron attachment on proton transfer between the radiosensitizer base pairs in aqueous solution

Changzhe Zhang, Xixi Cui, Yu Zhao, Lingjie Duan, Xiao Zhang, Qingtian Meng

Journal of Molecular Liquids

DOI

2022

Binding mechanism of two PaDBS1 derived peptides with different phospholipid membranes and its coarse-grained molecular dynamics analysis

Wen Gao, Menglu Cui, Yongkang Lv, Changzhe Zhang, Qingtian Meng

The European Physical Journal Plus

DOI

2022

Fluorescent adenine analogues with ESPT characteristic utilized for real-time detecting DNA adduct

Lingjie Duan, Yu Zhao, Xiao Zhang, Xixi Cui, Qingtian Meng, Changzhe Zhang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2022

Solvent effect on excited state intramolecular proton transfer and charge transfer in 3-((2E, 4E)-5-(4-(dimethylamino) phenyl) penta-2, 4-dienoyl)-4-hydroxy-2H-chromen-2-one

Xucong Zhou, Huiting Li, Yu Zhao, Xixi Cui, Changzhe Zhang, Qingtian Meng

Journal of Luminescence

DOI

2022

ESIPT and AIE characteristics of three Schiff base derivatives and the relevant photophysical mechanism analyses

Yu Zhao, Xixi Cui, Menglu Cui, Changzhe Zhang, Qingtian Meng

Journal of Luminescence

DOI

2022

Nitro rotation tuned dissociative electron attachment upon targeted radiosensitizer 4-substituted Z bases

Xixi Cui, Yu Zhao, Changzhe Zhang, Qingtian Meng

Physical Chemistry Chemical Physics

DOI

2021

Theoretical sight into hydrogen bond interactions between arsenious acid and thiols in aqueous and HEPES solutions

Xiuxiu Wu, Jinyu Shen, Hui Cao, Min Yuan, Tai Ye, Caixia Lin, Changzhe Zhang, Fei Xu

Journal of Molecular Liquids

DOI

2021

Unusual photophysical properties of fluorescent cytosine analogues utilized in real-time detecting i-motif DNA: A theoretical study

Yu Zhao, Xixi Cui, Zhiwei Ge, Qingtian Meng, Changzhe Zhang

Journal of Luminescence

DOI

2021

Photophysical properties of fluorescent nucleobase P-analogues expected to monitor DNA replication

Yu Zhao, Xixi Cui, Yuzhi Song, Changzhe Zhang, Qingtian Meng

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2021

Hydrogen bonding interactions between arsenious acid and dithiothreitol/dithioerythritol at different pH values: a computational study with an explicit solvent model

Jinyu Shen, Xiuxiu Wu, Jinsong Yu, Fengqin Yin, Liling Hao, Caixia Lin, Lizhi Zhu, Chunyan Luo, Changzhe Zhang, Fei Xu

New Journal of Chemistry

DOI

2020

Proton Transfer and Nitro Rotation Tuned Photoisomerization of Artificial Base Pair-ZP

Xixi Cui, Yu Zhao, Zhibing Li, Qingtian Meng, Changzhe Zhang

Frontiers in Chemistry

DOI

2019

The substituent effect on the excited state intramolecular proton transfer of 3-hydroxychromone*

Yuzhi Song, Songsong Liu, Jiajun Lu, Hui Zhang, Changzhe Zhang, Jun Du

Chinese Physics B

DOI

2019

The mechanism of the excited-state proton transfer of Salicylaldehyde azine and 2,2'-[1,4-Phenylenebis{(E)- nitrilomethylidyne}] bisphenol: Via single or double proton transfer

Hui Zhang, Songsong Liu, Changzhe Zhang, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

Songsong Liu, Yu Zhao, Changzhe Zhang, Lili Lin, Yongqing Li, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2017

溶剂化电子的结构表征及其相关性质的理论研究

张常哲

《山东大学》

2014

Photoassociation of NaRb with an asymmetric laser pulse

Changzhe Zhang, Bin Zheng, Yu-Quan Niu, Wei Wei, Qingtian Meng

Science China Physics Mechanics and Astronomy

DOI

2013

Theoretical simulation of the photoassociation process for NaCs

张常哲，郑斌，王军，孟庆田

Chinese Physics B

2013

碱金属原子的光缔合动力学研究

张常哲

《山东师范大学》

精选作品

期刊论文

Polarity-gated stepwise ESDPT in a DHNA-based chalcone: Theoretical prediction of switchable visible/NIR dual emission

Strategy on screening fluorescent guanine analogues to specifically detect 5-carboxylcytosine adduct

Photophysical property of fluorescent guanine analogs for selectively recognizing acetylated cytosine: A theoretical study

Interaction mechanism of FLAK50 anticancer peptide with phospholipid bilayer membranes: Molecular dynamics investigation

Unraveling the excited-state double proton transfer mechanism associated with solvent-polarity-sensitive photoluminescence of 1,8-dihydroxy-2-naphthaldehyde analogue

Electric field-modulated dissociation of dinitrophenol pollutants adsorbed on graphene oxide: insights from molecular dynamics simulations

Quasi-Intrinsic Fluorescent Probes for Sensitive Detection of the Carcinogenic DNA Adduct ABPdG via Push–Pull Electronic Effect-Mediated Intermolecular Charge Transfer

Unraveling electronic structure and aromaticity differences in cyclo[12]carbon (C12), B4C4N4, and B6N6 isoelectronic ring molecules

Intermolecular interaction mechanisms between dinitrophenol and water: a molecular dynamics and DFT study

Quasi-intrinsic cytosine analogues for two-photon photodynamic therapy with Type I/II mechanism

ESDPT induced dual-tautomer fluorescence of newly designed 1,8-dihydroxy-2-naphthaldehyde analogue with different solvent polarity

Enhancing excited-state population of perylenequinone photosensitizer with asymmetric laser pulses

Design and photophysical characterization of quasi-intrinsic fluorescent probes utilized in DNA sequencing

Analysis of Interaction Features of Cyclo[13]carbon with Small Molecules and Formation Mechanism of Its Dimer

Mechanics of poly-arginine adsorption onto cell membrane by GM1 and their cluster forming: Coarse-grained molecular dynamics study

Designing Quasi-Intrinsic Photosensitizers with Dual Function of Fluorescence Imaging and Photodynamic Therapy

Effect of number of intramolecular double bonds on photophysical properties and ESIPT processes for Cha-NH2 and its derivatives: A theoretical study

ESIPT-associated fluorescent property and AIE characteristic of multifunctional nanoprobe DPNAP

Newly Designed Quasi-intrinsic Photosensitizers for Fluorescence Image-Guided Two-Photon Photodynamic Therapy with Type I/II Photoreactions

How antimicrobial peptide indolicidin and its derivatives interact with phospholipid membranes: Molecular dynamics simulation

Theoretical Insights into the Effect of Different Numbers of Thiophene Groups on Hydrogen Bond Interaction and Excited-State Intramolecular Proton-Transfer Process for Flavonoid Derivatives

Quasi-intrinsic thiobase derivatives as potential targeted photosensitizers in two-photon photodynamic therapy

Theoretical study on ESIPT mechanism for 5’-amino-2-(2’-hydroxyphenyl) benzimidazole probe in detecting phosgene

Thio-naphthalene-modified artificial bases as targeted photosensitizers for two-photon photodynamic therapy

Effect of GM1 concentration change on plasma membrane: molecular dynamics simulation and analysis

Theoretical study on fluorescent T-analogues for selective recognition of 2-aminoadenine (Z) in aqueous solution via base-pair induced ESICT mechanism

Simulation for fluorescence detection of O4-methylthymidine with definite photophysical characteristics

External Electric Field Effects on AFM-like Magnetism in Nitroxide-Functionalized C+:C Base Pair

Quasi-intrinsic fluorescent probes for detecting the DNA adduct ( ABP dG) based on an excited-state intermolecular charge transfer mechanism

Theoretical Simulation on Regulating the Magnetic Coupling Properties of Diradical Artificial Bases

Photoisomerization and ultrasensitive fluorescence detection of toxic deoxyguanosine adduct ANdG: a theoretical study

Effects of substituent and excess electron attachment on proton transfer between the radiosensitizer base pairs in aqueous solution

Binding mechanism of two PaDBS1 derived peptides with different phospholipid membranes and its coarse-grained molecular dynamics analysis

Fluorescent adenine analogues with ESPT characteristic utilized for real-time detecting DNA adduct

Solvent effect on excited state intramolecular proton transfer and charge transfer in 3-((2E, 4E)-5-(4-(dimethylamino) phenyl) penta-2, 4-dienoyl)-4-hydroxy-2H-chromen-2-one

ESIPT and AIE characteristics of three Schiff base derivatives and the relevant photophysical mechanism analyses

Nitro rotation tuned dissociative electron attachment upon targeted radiosensitizer 4-substituted Z bases

Theoretical sight into hydrogen bond interactions between arsenious acid and thiols in aqueous and HEPES solutions

Unusual photophysical properties of fluorescent cytosine analogues utilized in real-time detecting i-motif DNA: A theoretical study

Photophysical properties of fluorescent nucleobase P-analogues expected to monitor DNA replication

Hydrogen bonding interactions between arsenious acid and dithiothreitol/dithioerythritol at different pH values: a computational study with an explicit solvent model

Proton Transfer and Nitro Rotation Tuned Photoisomerization of Artificial Base Pair-ZP

The substituent effect on the excited state intramolecular proton transfer of 3-hydroxychromone*

The mechanism of the excited-state proton transfer of Salicylaldehyde azine and 2,2'-[1,4-Phenylenebis{(E)- nitrilomethylidyne}] bisphenol: Via single or double proton transfer

The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

溶剂化电子的结构表征及其相关性质的理论研究

Photoassociation of NaRb with an asymmetric laser pulse

Theoretical simulation of the photoassociation process for NaCs

碱金属原子的光缔合动力学研究

会议论文

溶液中弱束缚电子反应性从头算分子动力学模拟及含时波包法研究

Investigation of dissociative low-energy-electron attachment to 5-bromopyrimidine

Theoretical investigation of dissociative low-energy-electron attachment to 5-bromopyrimidine

预印本

Photophysical Properties of Fluorescent Guanine Analogues and Their Selective Response to Cytosine Modified by DNA Acetylation Based on the Esict Mechanism

Thiourea Derivatives Acting as Functional Monomers of As(III) Molecular Imprinted Polymers: A Combined Theoretical and Experimental Study on Binding Mechanisms

研究方向