Copolymerization of urea and murexide for efficient photocatalytic hydrogen evolution and tetracycline degradation

2021 ◽  
Author(s):  
Zhilu Du ◽  
Xinyu Zhao ◽  
Yingnan Zhao ◽  
Huiying Sun ◽  
Yingqi Li ◽  
...  
Keyword(s):  
Small Molecules ◽  
Hydrogen Evolution ◽  
Effective Strategy ◽  
Structure Property ◽  
Photocatalytic Hydrogen Evolution ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Tetracycline Degradation ◽  
Depth Study

Copolymerization of urea and small molecules is an effective strategy to modify g-C3N4. To in-depth study the important effects of the introduction of small molecular moiety on the structure-property relationship...

Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region

2016 ◽  
Vol 4 (15) ◽  
pp. 3256-3267 ◽  
Author(s):  
Jingyun Tan ◽  
Yujin Zhang ◽  
Meirong Zhang ◽  
Xiaohe Tian ◽  
Yiming Wang ◽  
...  
Keyword(s):  
Small Molecules ◽  
Photon Absorption ◽  
Structure Property ◽  
Two Photon Absorption ◽  
Chalcone Derivatives ◽  
Two Photon ◽  
Property Relationship ◽  
Near Ir ◽  
Structure Property Relationship

Six thiophene-based chalcone derivatives were synthesized, and their structure–property relationship was investigated systematically. Small molecules as they are, they have showed favorable Φ and σ values in the near-IR region.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Exploration of Bis(Arylimidazole) Iridium Picolinate Complexes

2017 ◽  
Author(s):  
Aron Huckaba ◽  
sadig aghazada ◽  
iwan zimmermann ◽  
giulia grancini ◽  
natalia gasilova ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Photophysical Properties ◽  
Structure Property ◽  
Aryl Group ◽  
Ligand Modification ◽  
Property Relationship ◽  
Structure Property Relationship

The straightforward synthesis and photophysical properties of a new series of heteroleptic Iridium (III) bis(2-arylimidazole) picolinate complexes is reported. Each complex has been characterized by NMR, UV-Vis, cyclic voltammetry, and the emissive properties of each is described. By systematically modifying first the cyclometallating aryl group on the arylimidazole ligand and then the picolinate ligand, the ramifications of ligand modification in these complexes was better understood through the construction of a structure-property relationship.

Quantitative Structure- Property Relationship (QSPR) Investigation of Camptothecin Drugs Derivatives

2018 ◽  
Vol 21 (7) ◽  
pp. 533-542 ◽  
Author(s):  
Neda Ahmadinejad ◽  
Fatemeh Shafiei ◽  
Tahereh Momeni Isfahani
Keyword(s):  
Thermodynamic Properties ◽  
Predictive Ability ◽  
Total Sample ◽  
Basis Sets ◽  
Quantitative Structure ◽  
Structure Property ◽  
Quantitative Structure Property Relationship ◽  
Chemical Structures ◽  
Property Relationship ◽  
Structure Property Relationship

Aim and Objective: Quantitative Structure- Property Relationship (QSPR) has been widely developed to derive a correlation between chemical structures of molecules to their known properties. In this study, QSPR models have been developed for modeling and predicting thermodynamic properties of 76 camptothecin derivatives using molecular descriptors. Materials and Methods: Thermodynamic properties of camptothecin such as the thermal energy, entropy and heat capacity were calculated at Hartree–Fock level of theory and 3-21G basis sets by Gaussian 09. Results: The appropriate descriptors for the studied properties are computed and optimized by the genetic algorithms (GA) and multiple linear regressions (MLR) method among the descriptors derived from the Dragon software. Leave-One-Out Cross-Validation (LOOCV) is used to evaluate predictive models by partitioning the total sample into training and test sets. Conclusion: The predictive ability of the models was found to be satisfactory and could be used for predicting thermodynamic properties of camptothecin derivatives.

Structure–property relationship of acceptor-substituted oligothiophenes

Tetrahedron ◽  
2010 ◽  
Vol 66 (45) ◽  
pp. 8729-8733 ◽  
Author(s):  
M.S. Wrackmeyer ◽  
M. Hummert ◽  
H. Hartmann ◽  
M.K. Riede ◽  
K. Leo
Keyword(s):  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

Highly Efficient Solar-driven Photocatalytic Hydrogen Evolution by Ternary 3D ZnIn2S4-MoS2 Microsphere/1D TiO2 Nanobelt Heterostructure

2021 ◽  
Author(s):  
Hanghang Zhou ◽  
Lan Wang ◽  
Hang Shi ◽  
Huan Zhang ◽  
Yue Wang ◽  
...  
Keyword(s):  
Energy Level ◽  
High Activity ◽  
Hydrogen Evolution ◽  
Solvothermal Method ◽  
Semiconductor Materials ◽  
Effective Strategy ◽  
Geometric Structures ◽  
Photocatalytic Hydrogen Evolution ◽  
Highly Efficient ◽  
Tio2 Nanobelts

Combining different semiconductor materials with diverse geometric structures and energy level configurations is an effective strategy for constructing high-activity heterostructure photocatalyst. Using the solvothermal method, 1D TiO2 nanobelts were uniformly...

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