Common Shortcomings in Study on Radiopharmaceutical Design Research: A Case Study of 99mTc-Labelled Methotrexate

The aim of the work carried out was to draw attention to shortcomings that often appear at the stage of designing new radiopharmaceuticals. Based on a case study of ^99mTc-labelled methotrexate, this article describes frequent mistakes or misconceptions present not only in the referenced studies, but also in numerous radiopharmaceutical studies. The recommendations provided in this article highlight fundamental aspects of the credibility of radiopharmaceutical scientific research leading to the reliable results.     

Pyridine Adducts of Tricyano- and Dicyanoboranes

Cyanoborane adducts of the Lewis acids B(CN)₃, BF(CN)₂, and BH(CN)₂ with pyridine and 4-cyanopyridine have been obtained in high yields. The syntheses were accomplished by oxidation of the readily available potassium salts of the cyano(hydrido)borate anions [BH(CN)₃]⁻ ( MHB ), [BFH(CN)₂]⁻ ( FHB ), and [BH₂(CN)₂]⁻ ( DHB ) with bromine in the presence of the respective pyridine derivative C₅H₅N or 4-CN-C₅H₄N as starting material. All six cyanoborane adducts have been characterized by NMR and vibrational spectroscopy, elemental analysis, and single-crystal X-ray diffraction. The reduction of the cyanoborane adducts has been investigated by cyclic voltammetry and the Lewis acidity of the different cyanoboranes has been assessed using the Gutmann-Beckett method. Selected experimental data and trends are compared to theoretical ones, for example fluoride ion affinities (FIAs).     

Catalytic Alkyne Semihydrogenation with Polyhydride Ni/Ga Clusters

The bimetallic, decanuclear Ni₃Ga₇-cluster of the formula [Ni₃(GaTMP)₃(μ²-GaTMP)₃(μ³-GaTMP)] ( 1 , TMP=2,2,6,6-tetramethylpiperidinyl) reacts reversibly with dihydrogen under the formation of a series of (poly-)hydride clusters 2 . Low-temperature 2D NMR experiments at −80 °C show that 2 consist of a mixture of a di- ( 2_Di ), tetra- ( 2_Tetra ) and hexahydride species ( 2_Hexa ). The structures of 2_Di and 2_Tetra are assessed by a combination of 2D NMR spectroscopy and DFT calculations. The cooperation of both metals is essential for the high hydrogen uptake of the cluster. Polyhydrides 2 are catalytically active in the semihydrogenation of 4-octyne to 4-octene with good selectivity. The example is the first of its kind and conceptually relates properties of molecular, atom-precise transition metal/main group metal clusters to the respective solid-state phase in catalysis.     

Hydrogen Peroxide Production of Individual Nanosecond Pulsed Discharges Submerged in Water of Elevated Conductivity

The production of hydrogen peroxide (H₂O₂) is a key parameter for the performance of pulsed discharges submerged in water utilized as advanced oxidation process. So far, any related assessment of the underlying mechanism was conducted for the application of several hundred discharges, which did not allow for a correlation with physical processes. Moreover, the production was rarely investigated depending on water conductivity as one of the most important parameters for the development of submerged discharges. Accordingly, hydrogen peroxide generation was investigated here for individual single discharge events instigated with 100 ns high-voltage pulses in water with three different conductivities and was associated with the discharge development, i. e. spatial expansion and dissipated electrical energy. The approach necessitated the improvement of an electrochemical flow injection analysis based on the reaction of Prussian blue with H₂O₂. Hydrogen peroxide concentrations were quadratically increasing with propagation time and stable for different water conductivities. H₂O₂ production per unit volume of a discharge was constant over time with an estimated rate constant of 3.2 mol ⋅ m⁻¹ s⁻¹, averaged over the crosssectional area of all discharge filaments. However, the individually dissipated energy increased with conductivity, hence, the production efficiency decreased from 6.1 g ⋅ kWh⁻¹ to 1.4 g ⋅ kWh⁻¹, which was explained by increased resistive losses within the bulk liquid.     

Synthesis of Renewable meta‐Xylylenediamine from Biomass‐Derived Furfural

We report the synthesis of biomass‐derived functionalized aromatic chemicals from furfural, a building block nowadays available in large scale from low‐cost biomass. The scientific strategy relies on a Diels–Alder/aromatization sequence. By controlling the rate of each step, it was possible to produce exclusively the meta aromatic isomer. In particular, through this route, we describe the synthesis of renewably sourced meta‐xylylenediamine (MXD). Transposition of this work to other furfural‐derived chemicals is also discussed and reveals that functionalized biomass‐derived aromatics (benzaldehyde, benzylamine, etc.) can be potentially produced, according to this route.     

The short range expansion

Let V_i be short range potential and λ_i(ε) analytic functions. We show that the Hamiltonians H_ε = −Δ + ε⁻²∑_{i = l}ⁿλ_i(ε)V_i((· − x_i)/ε converge in the strong resolvent sense to the point interactions as ε → 0, and if V_i have compact support then the eigenvalues and resonances of H_ε, which remains bounded as ε → 0, are analytic in ε in a complex neighborhood of zero. We compute in closed form the eigenvalues and resonances of H_ε to the first order in ε.     

Maximal exponents of polyhedral cones (I)

Let K be a proper (i.e., closed, pointed, full convex) cone in Rn. An n×n matrix A is said to be K-primitive if there exists a positive integer k such that ; the least such k is referred to as the exponent of A and is denoted by γ(A). For a polyhedral cone K, the maximum value of γ(A), taken over all K-primitive matrices A, is called the exponent of K and is denoted by γ(K). It is proved that if K is an n-dimensional polyhedral cone with m extreme rays then for any K-primitive matrix A, γ(A)?(mA−1)(m−1)+1, where mA denotes the degree of the minimal polynomial of A, and the equality holds only if the digraph (E,P(A,K)) associated with A (as a cone-preserving map) is equal to the unique (up to isomorphism) usual digraph associated with an m×m primitive matrix whose exponent attains Wielandt's classical sharp bound. As a consequence, for any n-dimensional polyhedral cone K with m extreme rays, γ(K)?(n−1)(m−1)+1. Our work answers in the affirmative a conjecture posed by Steve Kirkland about an upper bound of γ(K) for a polyhedral cone K with a given number of extreme rays.     

Decompositions for edge-coloring join graphs and cobipartite graphs

An edge-coloring is an association of colors to the edges of a graph, in such a way that no pair of adjacent edges receive the same color. A graph G is Class 1 if it is edge-colorable with a number of colors equal to its maximum degree Δ(G). To determine whether a graph G is Class 1 is NP-complete [I. Holyer, The NP-completeness of edge-coloring, SIAM J. Comput. 10 (1981) 718-720]. First, we propose edge-decompositions of a graph G with the goal of edge-coloring G with Δ(G) colors. Second, we apply these decompositions for identifying new subsets of Class 1 join graphs and cobipartite graphs. Third, the proposed technique is applied for proving that the chromatic index of a graph is equal to the chromatic index of its semi-core, the subgraph induced by the maximum degree vertices and their neighbors. Finally, we apply these decomposition tools to a classical result [A.J.W. Hilton, Z. Cheng, The chromatic index of a graph whose core has maximum degree 2, Discrete Math. 101 (1992) 135-147] that relates the chromatic index of a graph to its core, the subgraph induced by the maximum degree vertices.