Yasuyuki Yamada’s research while affiliated with Nagoya University and other places

... 47 The electronic structure of heme would be investigated from the ligand side using N K-edge XAS, the same as hemin in solution. 48 The inner-shell calculations would be possible by the extraction of heme from myoglobin. For investigating the oxygen-evolving reaction of photosystem II (PSII), the innershell calculations of Mn 4 CaO5 clusters extracted from PSII proteins at the Mn and Ca L 2,3 -edges and O K-edge would be important for the future XAS experiments of PSII proteins in the soft x-ray region, which are different from Mn K-edge XAS in the hard x-ray region. ...

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Oxygen K-edge inner-shell calculations of polymers in solutions realized by the extraction of local structures from molecular dynamics simulations

... 6 Other porphyrin-clay arrangements include, e.g., the intercalation of a double-decker porphyrin metal complex into clay nanosheets. 11 These examples demonstrate potential applications of porphyrin-clay systems. In this study, we examine a clay-pophyrin system that emulates the experimental setup of Ref. 4. To this end, we have developed a molecular multiscale approach coupled to multi-fidelity machine learning in order to simulate the excitation energy transfer. ...

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Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A study employing Multifidelity Machine Learning

... As macrocyclic compounds, metal phthalocyanines can encapsulate various elements such as iron, copper, cobalt, nickel, calcium, sodium, magnesium, and zinc within their rings. Notably, the unique C-N coordination structure with metals in these materials enables a molecular-level uniformity in the M-Nx/C structure [21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36]. ...

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Hierarchical Nanostructures of Iron Phthalocyanine Nanowires Coated on Nickel Foam as Catalysts for the Oxygen Evolution Reaction

... In order to generate methane oxidation catalytic materials with better catalytic activity, Yamada et al. firmly stacked µN-bridged iron phthalocyanine dimers onto graphite surfaces. This graphite-supported µ-nitrogen-bridged iron phthalocyanine dimer could oxidize methane even at room temperature, and its catalytic activity was comparable to that of MMO, nearly 50 times higher than that of other powerful molecular methane oxidation catalysts in an aqueous solution containing H 2 O 2 [21]. They also created a new mu-nitrogen-bridged heterodimer of iron porphyrin and iron phthalocyanine, and studied its catalytic CH 4 oxidation characteristics. ...

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Materials Enabling Methane and Toluene Gas Treatment

... It was in 1993 when Sessoli et al. [1] discovered the ability of the Mn 12 -acetate molecule to retain its magnetization once the magnetic field is removed and behaves as a Single Molecule Magnet (SMM). Since then, many researchers have focused their efforts on synthesizing new molecules that exhibit slow relaxation of magnetization (SRM) containing transition metals, such as [V(IV)O] 2+ [2], Mn(II) [3,4], Fe(II/III) [5,6], Co(II) [7,8], Cu(II) [9], or Ag(II) [10], rare-earth metals, especially Tb(III) + [11][12][13] and Dy(III) [12][13][14], who possess strong magnetic anisotropy, the combination of 3d/4f metals [15][16][17][18][19][20], and even a few cases of actinide-derived compounds containing Th(III) [20] and [U(V)O] 2+ [21,22]. The purpose of synthesizing these compounds is to leverage their quantum properties for applications in Quantum Information Processing (QIP) technologies such as quantum storage devices [23], qubits [24,25], or spintronics [26,27]. ...

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Exploring the Potential of Oxalyldihydrazide-Derived Schiff Bases as Versatile Ligands: Synthesis, Structural Characterization, and Magnetic Properties

... These results might provide a better understanding of the design of fluorescent molecules for bioimaging. That is, unsaturated alkyl chains are relatively rigid, but long saturated alkyl chains are flexible (Subczynski et al., 1993;Yamada et al., 2022). Like phospholipid, FP3 molecules with both rigid and flexible tails are favorable structures for cytoplasmic internalization. ...

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Biomimetic lipid–fluorescein probe for cellular bioimaging

... Moreover, the electrochemical properties of Zn-porphyrins can be finely tuned through structural modifications, such as introducing electrondonating or electron-withdrawing substituents. This tunability allows for the design of porphyrins with specific redox potentials tailored for targeted applications in photochemistry and catalysis [70][71][72][73][74][75]. In contrast, other metals like cobalt (Co) may not provide the same level of tunability or stability, often leading to more complex redox behavior that can hinder their practical applications [70,76]. ...

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Porphyrin-Based Posolytes: A Novel Approach to Advancing Aqueous Organic Redox Flow Battery Technology

... Research has demonstrated that the catalytic activity of these materials has reached or even surpassed commercial Pt/C catalysts, positioning them as the most promising alternatives to platinum-based catalysts [12][13][14][15][16][17][18][19]. Theoretical calculations reveal that in these catalysts, the transfer of electrons from the active centers formed by nitrogen-containing groups coordinated with metal atoms to the O 2 orbit weakens the O=O double bond, thereby facilitating the ORR process [20][21][22][23][24][25][26][27]. ...

Reference:

Hierarchical Nanostructures of Iron Phthalocyanine Nanowires Coated on Nickel Foam as Catalysts for the Oxygen Evolution Reaction

... Nitride (N 3-) is a good supporting ligand of high-valent transition metal ions owing to its strong -donating capability. As a bridging ligand, it can bind to two metal ions in either a symmetric or unsymmetric fashion depending upon the extent of  delocalization in the M-N-M unit (Scheme 1). 1 Of interest are dinuclear iron complexes with symmetric nitrido bridges, such as [Fe(L)] 2 (-N) (L 2-= phthalocyanine or porphyrin dianion), which are capable of catalyzing C-H oxidation of hydrocarbons, including methane, with H 2 O 2 or alkyl hydroperoxides, [2][3][4][5][6][7][8][9][10][11][12] in which high-valent diiron-oxo species ("Fe=N-Fe=O") have been proposed to be the active oxidants. It has been suggested that the enhanced oxidation capability of the diiron-oxo active species originates from the -donation of the -nitrido ligand that increases the basicity of the Fe=O group and facilitates the H-atom abstraction. ...

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A water-soluble heterometallic iron(IV)–ruthenium(IV) μ-nitrido porphyrin complex: synthesis, structure and catalytic activity†

... Switching the conformation behaviors of molecular units by external stimuli is important for the development of new stimuli-responsive supramolecular systems and materials. [1] In particular, rigid ladder-shaped switching units [2][3][4][5][6] would be useful because they enable control of the distance and angle between two units more precisely. Recently, through our studies on dibenzo-1,5-diazacyclooctane (DACO)-containing ladder polymers, [7] we have shown that the DACO unit can switch the conformational flexibility upon coordination and elimination of a Lewis acid such as BPh 2 Cl (Scheme 1). ...

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Two‐step Conformational Control of a Dibenzo Diazacyclooctane Derivative by Stepwise Protonation