Highly selective artificial gel antibodies for detection and quantification of biomarkers in clinical samples. I. Spectrophotometric approach to design the calibration curve for the quantification

High selectivity of a biomarker is a basic requirement when it is used for diagnosis, prognosis and treatment of a disease. The artificial gel antibodies, which we synthesise by a molecular imprinting method, have this property not only for proteins, but also for bioparticles, such as viruses and bacteria. However, diagnosis of a disease requires not only that the biomarker can be “fished out” from a body fluid with high selectivity, but also that its concentration in the sample can rapidly be determined and preferably by a simple technique. This paper deals primarily with the development of a spectrophotometric method, which is so simple and fast that it can be used with advantage in a Doctor's Office. The development of this method was not straight‐forward. However, by modifications of the performance of these measurements we can now design standard curves in the form of a straight line, when we plot the true (not the recorded “apparent” absorption) against known protein concentrations. In an additional publication (see the following paper in this issue of JSS) we show an application of such a plot: determination of the concentration of albumin in serum and cerebrospinal fluid from patients with neurological disorders to investigate whether albumin is a biomarker for these diseases.     

Template polymerization of aniline in presence of poly(acrylamide-<Emphasis Type="Italic">co</Emphasis>-maleic acid) for preparation of conductive polymers

In the present work new conductive nanostructures based on poly (acrylamide-co-maleic acid) (PAAMA) and polyaniline were prepared. The template polymerization of aniline was conducted in the aqueous solution of PAAMA with different ratios (w/w%) of aniline to polyacid. The prepared composite was characterized by FTIR and UV–Vis spectroscopy, SEM, electrical conductivity measurements and solubility tests.     

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.

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.     

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.     

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...     

Ion population fraction calculations using improved screened hydrogenic model with l-splitting

Ion population fraction(IPF) calculations are very important to understand the radiative spectrum emitted from the hot dense matter. IPF calculations require detailed knowledge of all the ions and correlation interactions between the electrons of an ion which are present in a plasma environment. The average atom models, e.g., screened hydrogenic model with l-splitting(SHML), now have the capabilities for such calculations and are becoming more popular for in line plasma calculations. In our previous work [Ali A, Shabbir Naz G, Shahzad M S, Kouser R, Rehman A and Nasim M H 2018 High Energy Density Phys. 26 48], we have improved the continuum lowering model and included the exchange and correlation effects in SHML. This study presents the calculation of IPF using classical theory of fluctuation for our improved screened hydrogenic model with l-splitting(I-SHML) under local thermodynamic equilibrium conditions for iron and aluminum plasma over a wide range of densities and temperatures. We have compared our results with other models and have found a very good agreement among them.     

Second-order stochastic dominance constrained portfolio optimization: Theory and computational tests

Due to the definition of second-order stochastic dominance (SSD) in terms of utility theory, portfolio optimization with SSD constraints is of major practical interest. We contribute to the field in two ways: first, we present a self-contained theory with some new results and new proofs of known results; second, we perform a set of tests for computational efficiency. We provide new and simple arguments for the formulation of SSD constraints in a mathematical programming framework. For many individuals, an SSD constraint may seem too severe wherefore various relaxations (ASSD), have been proposed. We introduce yet another relaxation, directional SSD, where a candidate portfolio is admissible if a step from the benchmark in the direction of the candidate yields a dominating portfolio. Optimal step size depends on individual preferences reflected by the objective function. We compare computational efficiency of seven approaches for SD constrained portfolio problems, including SSD and ASSD constrained cases.     

Phytochemical analysis of flower from Pandanus odorifer (Forssk.) Kuntze for industrial application

Pandanus odorifer (Forssk.) Kuntze is an economically important aromatic plant. The essential oil from male flowers is widely used in aromatherapy, cosmetics and as food flavouring agent. Phenylethyl methyl ether (PEME), the major constituent of essential oil, gives the chief characteristic fragrance to the oil. In the present study, 180 samples from 12 different regions were collected and hydrodistilled for essential oil isolation. The oil was then subjected to GC and GC-MS analysis to find out the percentage of the constituents. The results revealed PEME as the major constituent ranging from 58.03 to 81.86% and terpinen-4-ol, the second major constituent ranging from 7.81 to 21.46%. Soil nitrogen was found to be the most influential factor for oil yield and PEME content. The flowers containing high essential oil yield and PEME content could be used as elite chemotypes with enough potential for large-scale commercial cultivation to meet the demand of kewda industries.