Preparation and validation of [67Ga]Ga-phytate kit and Monte Carlo dosimetry: an effort toward developing an impressive lymphoscintigraphy tracer

Journal of Radioanalytical and Nuclear Chemistry - Radiocolloides are essential for the detection of metastatic lymph nodes in breast cancer. In this study [67Ga]Ga-phytate, as an long-lived...     

Exploring and modeling the ion mobility spectrometry of perindopril: Example of protonation-dissociation reactions in large molecules

The current research is constructed for considering the chemical ionization and dissociation of perindopril in the positive mode of corona discharge ion mobility spectrometry. Four product ion peaks are observed in the ion mobility spectrum of perindopril erbumine at the cell temperature of 473 K. These peaks are assigned through the obtained intensity variation analysis in the ion mobility spectra over the elapsed time accompanied by the calculations backed by the validated density functional theory (DFT). In this regard, the most stable ionic species associated with each peak and the corresponding reliable generation pathways are found by the well-confirmed meta hybrid density functional method, M06-2X. The peaks are assigned to the protonated perindopril and its dissociation products, including counter ion and the related fragment ions. However, the structures of the neutral perindopril in the gas phase are thoroughly assessed to find a more stable one. The predicted chemical ionization products by the theory are in excellent agreement with our presented experiment here. Theoretical evaluations demonstrated that the production of a fragment by dissociation process occurs when perindopril gets a proton from the ionization region. Also, without protons, there is no dissociation process. Therefore, our mechanism investigated here is the proton transfer one. All possible sites of perindopril are considered theoretically for protonation along with their possible reactions. In addition to the computed PES, the assigned ions for obtained spectra are confirmed by the computed equilibrium constants and rate constants. Our theoretical results show that the peak of the main fragment is for M-CH₃CH₂OH produced by a reaction pathway involving no barrier. This study opens new perspectives in interpreting large molecules spectra for future studies.     

Chiral Iodotriptycenes: Synthesis and Catalytic Applications

New iodotriptycenes, including some chiral derivatives, have been synthesised, and their catalytic potential towards oxidative transformations has been investigated. The enantioselectivities observed in the products using chiral iodotriptycene catalysts are low, probably owing to the large distances between the coordinating groups and the iodine moieties in these compounds.     

Synthesis of 1,4-diaryl-2-naphthoates based on site-selective Suzuki-Miyaura reactions

The palladium(0)-catalyzed Suzuki cross-coupling reaction of the bis(triflates) of phenyl 1,4-dihydroxy-2-naphthoate afforded various 1,4-diaryl-2-naphthoates. The reactions proceeded with very good site-selectivity. Due to electronic reasons, the first attack occurred at the sterically more hindered position C-1.     

Synthesis and Antimicrobial Studies of Some Quinolinylpyrimidine Derivatives

The quinolinylpyrimidine derivatives were prepared by the condensation of quinolinyl chalcones with urea (or thiourea) under basic conditions by using both conventional and microwave heating. Their IR, ¹H NMR, ¹³C NMR, mass spectra and CHN analyses confirmed the prepared compounds. The newly prepared quinolinylpyrimidine derivatives were screened for antimicrobial activities against the bacterial strains viz. S. aureus, Shigella, Salmonela, P. aeroginosa, B. Subtilus and E. coli and found considerably active against S. aureus, P. aeroginosa and E. coli.     

Preparation and spectroscopic characterization of bis(6,8-dimethoxychroman-5-yl)methanes

3,5-Dimethoxyphenylalkan-2-ols react with diethoxymethane and boron trifluoride etherate, or aqueous formaldehyde and hydrochloric acid forming bis(6,8-dimethoxychroman-5-yl)methanes.     

Improved and Scalable Synthetic Route to the Synthon 17-β-(2-Carboxyethyl)-1,3,5(10)-estratriene: An Important Intermediate in the Synthesis of Bone-Targeting Estrogens

An improved, highly scalable methodology for the multigram-scale preparation of an important synthon, 17-β-(2-carboxyethyl)-1,3,5(10)-estratriene, is described. Previous approaches have failed to provide useful quantities of the analytically pure product because of facile retro-Michael breakdown of the β-alkoxy carbonyl precursors during workup and isolation operations. The synthetic approach described herein has been designed specifically to sidestep this problematic breakdown process. This new scalable method of preparation overcomes a major hurdle in the exploration of structure–activity relationships centered around novel estradiol derivatives with bone-targeting properties and also provides a scalable process for subsequent developmental work.     

A nanosized cadmium(II)-imprinted polymer for use in selective trace determination of cadmium in complex matrices

We describe a nanosized Cd(II)-imprinted polymer that was prepared from 4-vinyl pyridine (the functional monomer), ethyleneglycol dimethacrylate (the cross-linker), 2,2′-azobisisobutyronitrile (the radical initiator), neocuproine (the ligand), and Cd(II) (the template ion) by precipitation polymerization in acetonitrile as the solvent. The imprinted polymer was characterized by X-ray diffraction, thermogravimetric analysis, differential thermal analysis, and scanning electron microscopy. The maximum adsorption capacity of the nanosized sorbent was calculated to be 64 mg g^?1. Cadmium(II) was then quantified by FAAS. The relative standard deviation and limit of detection are 4.2 % and 0.2 μg L^?1, respectively. The imprinted polymer displays improve selectivity for Cd(II) ions over a range of competing metal ions with the same charge and similar ionic radius. This nanosized sorbent is an efficient solid phase for selective extraction and preconcentration of Cd(II) in complex matrices. The method was successfully applied to the trace determination of Cd(II) in food and water samples.

An efficient synthesis of 3,5‐dimethoxyhomophthalic acid,a key intermediate for synthesis of natural isocoumarins

3,5‐Dimethoxyhomophthalic acid was prepared efficiently in three steps, from 3,5‐dimethoxybenzyl bromide via rhodium‐catalyzed direct carbonylation to 3,5‐dimethoxyphenylacetic acid followed by successive o‐formylation and oxidation. Isocoumarins related to agrimonolide and achlisocoumarin 1 were prepared in single step by condensation of the homophthalic acid with appropriate acid chlorides.