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344-25-2, Name is H-D-Pro-OH, molecular formula is C5H9NO2, belongs to catalyst-ligand compound, is a common compound. In a patnet, author is Yang, Chao, once mentioned the new application about 344-25-2, Name: H-D-Pro-OH.

Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II

A series of pentametallic cubane-plus-dangler complexes have been target synthesized. Among them, the [Fe3Ni2] aggregate strongly resembled the native oxygen-evolving center by mimicking the cubane-plus-dangler skeleton, the aqua binding site, and the connectivity between the pendent ion and the parent cubane. Our synthetic strategy that uses tri-substituted methanol as the cubane-generator and carboxylate as the pendant ligand provides a feasible approach for accessing model compounds of biological catalyst systems.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Application of 344-25-2, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 344-25-2, Name is H-D-Pro-OH, SMILES is O=C(O)[C@@H]1NCCC1, belongs to catalyst-ligand compound. In a article, author is Ullah, Saif, introduce new discover of the category.

Quantitative Determination of Kaempferol by using a novel B-Z Chemical Oscillating system Catalyzed by a Cu (II)-tetraazamacrocyclic Complex

An appropriate analytical technique for determination of kaempferol (KMF) by its perturbation effect on Belousov-Zhabotinskii (B-Z) oscillating system was reported. The macrocyclic copper (II) complex [CuL] (ClO4)(2)] was used as a catalyst while malic acid as substrate in B-Z system. The ligand L in the macrocyclic-complex is 5, 7, 7, 12, 14, 14-hexamethyl-1, 4, 8, 11-tetraazacyclotetradeca-4, 11-diene. Experimental outcomes shown the perturbation effect of KMF could cause the change in the amplitude of oscillation (Delta A) which was directly related to its concentration (2.5 x 10(-6) to 3.0 x 10(-4) mol/L) with correlation coefficient of 0.99315. The calculated relative standard deviation (RSD) is 3.1 % by eight samples (1.8 x 10(-5) mol/L) and the observed lower limit of detection is 1.25 x 10(-6) mol/L. The cyclic voltammetry (CV) experiments were used to confirm the redox reaction between kaempferol and sodium bromate. Furthermore, the reaction perturbation mechanism was derived from the well-known FKN (Field-Koros-Noyes) oscillation mechanism.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 344-25-2, Name is H-D-Pro-OH, formurla is C5H9NO2. In a document, author is Lee, Jooyeon, introducing its new discovery. Name: H-D-Pro-OH.

Strategies in Metal-Organic Framework-based Catalysts for the Aerobic Oxidation of Alcohols and Recent Progress

Metal-organic frameworks (MOFs), which are porous inorganic-organic hybrid materials, act as versatile catalyst platforms for various organic transformations. In particular, the aerobic oxidation of alcohols to the corresponding aldehydes (or ketones) has been extensively studied using various MOFs and their analogs. In this account, we summarize the performance of MOF-based catalysts for the aerobic oxidation of alcohols based on the position of the catalytic species and the type of functionalization. Moreover, recent advances in MOF-based catalysts for aerobic oxidation are discussed in terms of catalytic efficiency and substrate size discrimination.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 344-25-2, Name is H-D-Pro-OH, molecular formula is C5H9NO2. In an article, author is Zhang, Libo,once mentioned of 344-25-2, Quality Control of H-D-Pro-OH.

Partial leaching effect to Pt decorated Pd-Fe/C nanoparticles for oxygen reduction reaction

A facile route to produce high-performance Pt@Pd-Fe/C oxygen reduction reaction (ORR) catalysts are explained in this article. The surface modification of partial leaching of Fe from Pd-Fe nanoparticles followed by Pt decoration using microwave-assisted method has largely enhanced the catalytic performances. Herein, we show that alloying Pd with Fe atoms improves the catalytic activity toward ORR by expending lattices to tune the strain and ligand effect. Further modification by partially leaching Fe atoms from the core surface can increase the active sites, the trace amounts of Pt decorated on the modified Pd-Fe cores improved the ORR activity and stability by controlling the strain effect and ligand effect between Pt, Fe and Pd. Such a special designed structure interacts to give further improved the ORR catalytic performances which is higher than commercial Johnson Matthey Pt/C catalysts, and shed a light of mass production low-cost catalyst.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 344-25-2, Name is H-D-Pro-OH, SMILES is O=C(O)[C@@H]1NCCC1, belongs to catalyst-ligand compound. In a document, author is Janet, Jon Paul, introduce the new discover, Recommanded Product: 344-25-2.

Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design

The variability of chemical bonding in open-shell transition-metal complexes not only motivates their study as functional materials and catalysts but also challenges conventional computational modeling tools. Here, tailoring ligand chemistry can alter preferred spin or oxidation states as well as electronic structure properties and reactivity, creating vast regions of chemical space to explore when designing new materials atom by atom. Although first-principles density functional theory (DFT) remains the workhorse of computational chemistry in mechanism deduction and property prediction, it is of limited use here. DFT is both far too computationally costly for widespread exploration of transition-metal chemical space and also prone to inaccuracies that limit its predictive performance for localized d electrons in transition-metal complexes. These challenges starkly contrast with the well-trodden regions of small-organic-molecule chemical space, where the analytical forms of molecular mechanics force fields and semiempirical theories have for decades accelerated the discovery of new molecules, accurate DFT functional performance has been demonstrated, and gold-standard methods from correlated wavefunction theory can predict experimental results to chemical accuracy. The combined promise of transition-metal chemical space exploration and lack of established tools has mandated a distinct approach. In this Account, we outline the path we charted in exploration of transition-metal chemical space starting from the first machine learning (ML) models (i.e., artificial neural network and kernel ridge regression) and representations for the prediction of open-shell transition-metal complex properties. The distinct importance of the immediate coordination environment of the metal center as well as the lack of low-level methods to accurately predict structural properties in this coordination environment first motivated and then benefited from these ML models and representations. Once developed, the recipe for prediction of geometric, spin state, and redox potential properties was straightforwardly extended to a diverse range of other properties, including in catalysis, computational feasibility, and the gas separation properties of periodic metal-organic frameworks. Interpretation of selected features most important for model prediction revealed new ways to encapsulate design rules and confirmed that models were robustly mapping essential structure-property relationships. Encountering the special challenge of ensuring that good model performance could generalize to new discovery targets motivated investigation of how to best carry out model uncertainty quantification. Distance-based approaches, whether in model latent space or in carefully engineered feature space, provided intuitive measures of the domain of applicability. With all of these pieces together, ML can be harnessed as an engine to tackle the large-scale exploration of transition-metal chemical space needed to satisfy multiple objectives using efficient global optimization methods. In practical terms, bringing these artificial intelligence tools to bear on the problems of transition-metal chemical space exploration has resulted in ML-model assessments of large, multimillion compound spaces in minutes and validated new design leads in weeks instead of decades.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 344-25-2, Name is H-D-Pro-OH, SMILES is O=C(O)[C@@H]1NCCC1, in an article , author is Rowland, Casey A., once mentioned of 344-25-2, Category: catalyst-ligand.

Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages

The molecular nature, and thus potential solubility, of coordination cages endows them with a number of advantages as compared to metal-organic frameworks and other extended network solids. However, their lack of three-dimensional connectivity typically limits their thermal stability as inter-cage interactions in these materials are relatively weak. This is particularly the case for carbazole-based coordination cages. Here, we report the design and synthesis of a benzyl-functionalized octahedral coordination cage that displays moderate surface area and increased thermal stability as compared to its unfunctionalized counterpart. Structural analysis suggests the increased thermal stability is a result of aryl-aryl interactions between ligand groups on adjacent cages. We have further adapted the ligand synthesis strategy to afford a novel, high-yielding preparatory route for the isolation of carbazole-3,6-dicarboxylic acid that does not rely on pyrophoric reagents or transition metal catalysts.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

A new application about H-D-Pro-OH

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Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 344-25-2, Name is H-D-Pro-OH, molecular formula is C5H9NO2. In an article, author is Lim, Taeho,once mentioned of 344-25-2, Formula: C5H9NO2.

Ligand-free Suzuki-Miyaura cross-coupling with low Pd content: rapid development by a fluorescence-based high-throughput screening method

Suzuki-Miyaura (SM) cross-coupling is one of the most effective strategies for carbon-carbon bond formation, but previous methods have several drawbacks, such as the requirement of complicated ligands, toxic organic solvents, and high-content-Pd catalysts. Thus, in this study, a highly efficient SM cross-coupling was developed using metal oxide catalysts: 0.02 mol% Pd, aqueous solvent, no ligand, and room temperature. Metal oxides containing low Pd content (ppm scale) were prepared by a simple co-precipitation method and used as a catalyst for the SM reaction. A fluorescence-based high-throughput screening (HTS) method was developed for the rapid evaluation of catalytic activity and reaction conditions. Among the various metal oxides, Pd/Fe2O3 showed the highest activity for the SM reaction. After further optimization by HTS, various biaryl compounds were obtained under optimal conditions: Pd/Fe2O3 (0.02 mol% Pd) in aqueous ethanol at mild temperature without any ligands.

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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Enantioselective total synthesis of pyrrolo-[2,1-: C] [1,4]-benzodiazepine monomers (S)-(-)-barmumycin and (S)-(+)-boseongazepine B

An efficient enantioselective total synthesis of pyrrolo-[2,1-c][1,4]benzodiazepine (PBD) monomers (S)-(-)-barmumycin and (S)-(+)-boseongazepine B and collective formal total syntheses of oxoprothracarcin, prothracarcin and (S)-(+)-boseongazepine C are described. The present approach is based on an efficient construction of an ethylidene substituted C-4 pyrrolidine core, that is the stereocontrolled introduction of a trisubstituted double bond through simple enolate alpha-alkylation of an ester, which also relies on a proline catalysed asymmetric alpha-amination followed by HWE olefination. The present synthetic route possesses superior stereocontrol over the C-4 ethylidene substituent as well as the C-(S) stereogenic center, which allows more functional variations on the five-membered prolinol core as compared to the existing PBD synthesis.

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Reference£º
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Enantioselective approach to 13a-methylphenanthroindolizidine alkaloids

The first enantioselective approach to 13a-methylphenanthroindolizidine alkaloids is reported, featuring an efficient stereoselective Seebach’s alkylation and Pictet-Spengler cyclization. The proposed and other three most probable structures were ruled out, indicating hypoestestatin 1 needs further assignment.

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Reference£º
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

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Rapid separation of enantiomeric impurities in chiral molecules by a self-referential weak measurement system

We propose a self-referential fast detection scheme for a frequency domain weak measurement system for the detection of enantiomeric impurities in chiral molecules. In a transmissive weak measurement system, the optical rotation (OR) is used to modify the pre-selected polarization state and the post-selection polarization state. We obtained the sum and difference of the optical rotations produced by the sample and the standard by rotating the quarter wave plate in the system. Then, we estimate the ratio of chiral molecules to enantiomeric impurities using the ratio of the central wavelength shifts caused by the addition and subtraction states described above. In this paper, our system has an optical resolution of 1.88 ¡Á 10?5?. At the same time, we completed the detection of the ratio of the two substances in the mixture of L-proline and D-proline in different proportions, which proved that our system can quickly detect the content of enantiomeric impurities in chiral molecules.

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Reference£º
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI