Rational Design of Sulfur-Doped Three-Dimensional Ti3C2Tx MXene/ZnS Heterostructure as Multifunctional Protective Layer for Dendrite-Free Zinc-Ion Batteries

ACS Nano ◽  
2021 ◽  
Vol 15 (9) ◽  
pp. 15259-15273
Author(s):  
Yongling An ◽  
Yuan Tian ◽  
Chengkai Liu ◽  
Shenglin Xiong ◽  
Jinkui Feng ◽  
...  
Keyword(s):  
Rational Design ◽  
Three Dimensional ◽  
Protective Layer ◽  
Zinc Ion ◽  
Free Zinc

scholarly journals Picosecond time-resolved photon antibunching measures nanoscale exciton motion and the true number of chromophores

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Gordon J. Hedley ◽  
Tim Schröder ◽  
Florian Steiner ◽  
Theresa Eder ◽  
Felix J. Hofmann ◽  
...  
Keyword(s):  
Rational Design ◽  
Three Dimensional ◽  
Dna Origami ◽  
Fluorescent Nanoparticles ◽  
Time Resolved ◽  
Exciton Diffusion ◽  
Polymer Aggregates ◽  
True Number ◽  
Particle Level ◽  
Photon Antibunching

AbstractThe particle-like nature of light becomes evident in the photon statistics of fluorescence from single quantum systems as photon antibunching. In multichromophoric systems, exciton diffusion and subsequent annihilation occurs. These processes also yield photon antibunching but cannot be interpreted reliably. Here we develop picosecond time-resolved antibunching to identify and decode such processes. We use this method to measure the true number of chromophores on well-defined multichromophoric DNA-origami structures, and precisely determine the distance-dependent rates of annihilation between excitons. Further, this allows us to measure exciton diffusion in mesoscopic H- and J-type conjugated-polymer aggregates. We distinguish between one-dimensional intra-chain and three-dimensional inter-chain exciton diffusion at different times after excitation and determine the disorder-dependent diffusion lengths. Our method provides a powerful lens through which excitons can be studied at the single-particle level, enabling the rational design of improved excitonic probes such as ultra-bright fluorescent nanoparticles and materials for optoelectronic devices.

scholarly journals Structural Investigation and Molecular Modeling Studies of Strobilurin-Based Fungicides Active against the Rice Blast Pathogen Pyricularia oryzae

2021 ◽  
Vol 22 (7) ◽  
pp. 3731
Author(s):  
Andrea Kunova ◽  
Luca Palazzolo ◽  
Fabio Forlani ◽  
Giorgia Catinella ◽  
Loana Musso ◽  
...  
Keyword(s):  
Rice Blast ◽  
Rational Design ◽  
Structural Investigation ◽  
Resistance Mechanism ◽  
Three Dimensional ◽  
Pyricularia Oryzae ◽  
Cytochrome Bc1 ◽  
Cytochrome Bc1 Complex ◽  
Three Dimensional Model ◽  
Resistant Strains

The increasing emergence of fungicide-resistant pathogens requires urgent solutions for crop disease management. Here, we describe a structural investigation of new fungicides obtained by combining strobilurin and succinate dehydrogenase inhibitor pharmacophores. We identified compounds endowed with very good activity against wild-type Pyricularia oryzae, combined in some cases with promising activity against strobilurin-resistant strains. The first three-dimensional model of P. oryzae cytochrome bc1 complex containing azoxystrobin as a ligand was developed. The model was validated with a set of commercially available strobilurins, and it well explains both the resistance mechanism to strobilurins mediated by the mutation G143A and the activity of metyltetraprole against strobilurin-resistant strains. The obtained results shed light on the key recognition determinants of strobilurin-like derivatives in the cytochrome bc1 active site and will guide the further rational design of new fungicides able to overcome resistance caused by G143A mutation in the rice blast pathogen.

Integrated design of aqueous zinc-ion batteries based on dendrite-free zinc microspheres/carbon nanotubes/nanocellulose composite film anode

2021 ◽  
Vol 594 ◽  
pp. 389-397
Author(s):  
Anran Wang ◽  
Weijun Zhou ◽  
Minfeng Chen ◽  
Aixiang Huang ◽  
Qinghua Tian ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Composite Film ◽  
Integrated Design ◽  
Zinc Ion ◽  
Free Zinc

The first crystal structure of the peptidase domain of the U32 peptidase family

2015 ◽  
Vol 71 (12) ◽  
pp. 2505-2512 ◽  
Author(s):  
Magdalena Schacherl ◽  
Angelika A. M. Montada ◽  
Elena Brunstein ◽  
Ulrich Baumann
Keyword(s):  
Crystal Structure ◽  
Catalytic Mechanism ◽  
Quaternary Structure ◽  
Catalytic Domain ◽  
Three Dimensional ◽  
Zinc Ion ◽  
Crystal Structure Analysis ◽  
Dimensional Structure ◽  
Sequence Motifs ◽  
Conserved Sequence

The U32 family is a collection of over 2500 annotated peptidases in the MEROPS database with unknown catalytic mechanism. They mainly occur in bacteria and archaea, but a few representatives have also been identified in eukarya. Many of the U32 members have been linked to pathogenicity, such as proteins fromHelicobacterandSalmonella. The first crystal structure analysis of a U32 catalytic domain fromMethanopyrus kandleri(genemk0906) reveals a modified (βα)8TIM-barrel fold with some unique features. The connecting segment between strands β7 and β8 is extended and helix α7 is located on top of the C-terminal end of the barrel body. The protein exhibits a dimeric quaternary structure in which a zinc ion is symmetrically bound by histidine and cysteine side chains from both monomers. These residues reside in conserved sequence motifs. No typical proteolytic motifs are discernible in the three-dimensional structure, and biochemical assays failed to demonstrate proteolytic activity. A tunnel in which an acetate ion is bound is located in the C-terminal part of the β-barrel. Two hydrophobic grooves lead to a tunnel at the C-terminal end of the barrel in which an acetate ion is bound. One of the grooves binds to aStrep-Tag II of another dimer in the crystal lattice. Thus, these grooves may be binding sites for hydrophobic peptides or other ligands.

3D hierarchically mesoporous Cu-doped NiO nanostructures as high-performance anode materials for lithium ion batteries

CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9336-9347 ◽  
Author(s):  
Jingyun Ma ◽  
Longwei Yin ◽  
Tairu Ge
Keyword(s):  
Porous Structure ◽  
Lithium Ion Batteries ◽  
Surface Area ◽  
Anode Materials ◽  
High Performance ◽  
Rational Design ◽  
Three Dimensional ◽  
Lithium Ion ◽  
Design And Synthesis ◽  
Hierarchically Porous Structure

We report on the rational design and synthesis of three dimensional (3D) Cu-doped NiO architectures with an adjustable chemical component, surface area, and hierarchically porous structure as anodes for lithium ion battery.

Syntheses, structures and characterization of isomorphous CoII and NiII coordination polymers based on 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole and benzene-1,4-dicarboxylate

2017 ◽  
Vol 73 (8) ◽  
pp. 645-651 ◽  
Author(s):  
Qiu-Ying Huang ◽  
Yang Zhao ◽  
Xiang-Ru Meng
Keyword(s):  
Coordination Polymers ◽  
Rational Design ◽  
Three Dimensional ◽  
Spectroscopic Properties ◽  
Polymeric Chain ◽  
Design And Synthesis ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
The One ◽  
Ir Spectroscopic

Careful choice of the organic ligands is one of the most important parameters in the rational design and synthesis of coordination polymers. Aromatic polycarboxylates have been widely used in the preparation of metal–organic polymers since they can utilize various coordination modes to form diverse structures and can act as hydrogen-bond acceptors and donors in the assembly of supramolecular structures. Nitrogen-heterocyclic organic compounds have also been used extensively as ligands for the construction of polymers with interesting structures. In the polymers catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}cobalt(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Co(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (I), and catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}nickel(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Ni(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (II), the CoII or NiII ion lies on an inversion centre and exhibits a slightly distorted octahedral coordination geometry, coordinated by two N atoms from two imidazole rings and four O atoms from two monodentate carboxylate groups and two water molecules. The dicarboxylate ligands bridge metal ions forming a polymeric chain. The 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole ligands coordinate to the CoII or NiII centres in monodentate modes through an imidazole N atom and are pendant on opposite sides of the main chain. The two structures are isomorphous. In the crystal, the one-dimensional chains are further connected through O—H...O, O—H...N and N—H...O hydrogen bonds, leading to a three-dimensional supramolecular architecture. In addition, the IR spectroscopic properties, PXRD patterns, thermogravimetric behaviours and fluorescence properties of both polymers have been investigated.

In-situ Regulation of Zinc Metal Surface for Dendrite-Free Zinc-ion Hybrid Supercapacitors

2022 ◽  
Author(s):  
Yujia Long ◽  
Xiaomin Huang ◽  
Yuanxia Li ◽  
Mei Yi ◽  
Jiaqi Hou ◽  
...  
Keyword(s):  
Metal Surface ◽  
Zinc Ion ◽  
Zinc Metal ◽  
Hybrid Supercapacitors ◽  
Free Zinc
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