Nucleophilic substitution reactions of monofunctional nucleophilic reagents with cyclotriphosphazenes containing 2,2-dioxybiphenyl units

The nucleophilic substitution reactions of mono- and bis-spiro-2,2′ -dioxybiphenyl cyclotriphosphazenes (3 and 4) with cyclopropanemethylamine (5) and aniline (6) were performed in the presence of trimethylamine in THF. Five novel cyclopropanemethylamino- and anilino-substituted spiro-2,2′ -dioxybiphenyl cyclotriphosphazene derivatives (7–11) were obtained from these reactions. The molecular structures of the new cyclotriphosphazene derivatives (7–11) were characterized by elemental analysis, MALDI-TOF MS, FT-IR, and NMR ( ³¹ P and ¹ H) spectroscopies. The structure of the spiro-(2,2′ -dioxybiphenyl)-bis-(anilino)-cyclotriphosphazene (11) was also determined by single-crystal X-ray crystallography.     

The preparation of new palladium (II) complexes with Schiff base type ligands and its impregnated Al2O3 materials: As the catalysts for degradation/reduction of organic dyes

The removal of organic dyes used in many sectors such as textile, paper, leather, and packaging from water sources is very important in terms of preventing the spread of industrial pollutants to the environment. Transition metal complexes supported to an inorganic solid material are frequently used for the degradation/reduction of organic dyes causing this pollution. In this study, new Pd (II) complexes with Schiff base ligands were synthesized and structurally characterized by nuclear magnetic resonance (NMR), Fourier-transform infrared spectroscopy (FT-IR), mass spectrometry (MS), and single-crystal X-ray diffraction (sc-XRD) spectroscopic methods. Then, the Al₂O₃-impregnated materials of these Pd (II) complexes were prepared and characterized by scanning electron microscopy with energy dispersive X-ray analysis (SEM-EDX), FT-IR, and thermogravimetry (TG) techniques. The catalytic activities of the synthesized Pd (II) complexes and their Al₂O₃-impregnated materials were comparatively analyzed to investigate the degradation/reduction of organic dyes (2-nitroaniline, 4-nitroaniline, 4-nitrophenol, eosin yellow, and methylene blue). The catalytic results indicate that Al₂O₃-impregnated materials are very active catalysts for the degradation/reduction of organic dyes under those circumstances. Conversions of up to 98% for all substrates were obtained after 5 min at ambient temperature.     

Analysis using natural language processing of feedback data from two mathematics support centres

ABSTRACT

This paper explores analysis of feedback data collected from student consultations at two mathematics support centres at universities in Australia and Ireland. Unstructured text data was collected over six years and includes qualitative data on student queries collected during the consultations from mathematics and statistics related subjects. Topic modelling and clustering algorithms are used to uncover key themes in the data across stages. Common areas of difficulty experienced by undergraduate students at both universities are investigated and a comparison between them is shown. The results suggest that, despite institutional differences, there is considerable overlap in the types of mathematical and statistical difficulties experienced by students in their first and second year of university at these institutions. We discuss how the ability to uncover such common mathematical and statistical themes with the aid of text mining techniques can be used to improve the support provided by mathematics support centres in terms of providing an efficient and effective service. The code for analyses at both institutions is provided in a GitHub repository so other academic support centres may use it. Outcomes of this analysis have implications for mainstream mathematics and statistics instructors who wish to gain further insights into their students' learning.     

Real-time prostate-specific antigen detection with prostate-specific antigen imprinted capacitive biosensors

Prostate specific antigen (PSA) is a valuable biomarker for early detection of prostate cancer, the third most common cancer in men. Ultrasensitive detection of PSA is crucial to screen the prostate cancer in an early stage and to detect the recurrence of the disease after treatment. In this report, microcontact-PSA imprinted (PSA-MIP) capacitive biosensor chip was developed for real-time, highly sensitive and selective detection of PSA. PSA-MIP electrodes were prepared in the presence of methacrylic acid (MAA) as the functional monomer and ethylene glycol dimethacrylate (EGDMA) as the cross-linker via UV polymerization. Immobilized Anti-PSA antibodies on electrodes (Anti-PSA) for capacitance measurements were also prepared to compare the detection performances of both methods. The electrodes were characterized by atomic force microscopy (AFM), scanning electron microscopy (SEM) and cyclic voltammetry (CV) and real-time PSA detection was performed with standard PSA solutions in the concentration range of 10 fg mL⁻¹–100 ng mL⁻¹. The detection limits were found as 8.0 × 10⁻⁵ ng mL⁻¹ (16 × 10⁻¹⁷ M) and 6.0 × 10⁻⁴ ng mL⁻¹ (12 × 10⁻¹⁶ M) for PSA-MIP and Anti-PSA electrodes, respectively. Selectivity studies were performed against HSA and IgG and selectivity coefficients were calculated. PSA detection was also carried out from diluted human serum samples and finally, reproducibility of the electrodes was tested. The results are promising and show that when the sensitivity of the capacitive system is combined with the selectivity and reproducibility of the microcontact-imprinting procedure, the resulting system might be used successfully for real-time detection of various analytes even in very low concentrations.     

The Phytochemical Profile and Biological Activity of Malva neglecta Wallr. in Surgically Induced Endometriosis Model in Rats

Leaves and aerial parts of Malva neglecta Wallr. have been traditionally used in Anatolia for the treatment of pain, inflammation, hemorrhoids, renal stones, constipation, and infertility. This study investigated the effects of M. neglecta leaves in a rat endometriosis model. The dried plant material was extracted with n-hexane, ethyl acetate, and methanol, successively. Experimental endometriosis was surgically induced in six-week-old female, non-pregnant, Wistar albino rats by autotransplant of endometrial tissue to the abdominal wall. After twenty-eight days, rats were evaluated for a second laparotomy. Endometrial foci areas were assessed, and intraabdominal adhesions were scored. Rats were divided into five groups as control, n-hexane, ethyl acetate, methanol, and aqueous extracts, as well as reference. At the end of the treatment, all rats were sacrificed and endometriotic foci areas and intraabdominal adhesions were re-evaluated and compared with the previous findings. Moreover, peritoneal fluid was collected to detect tumor necrosis factor- α (TNF-α), vascular endothelial growth factor (VEGF), and interleukin-6 (IL-6) levels, and cDNA synthesis, and a quantitative real-time polymerase chain reaction (PCR) test was done. The phytochemical content of the most active extract was determined using High-Performance Liquid Chromatography (HPLC). Both endometrial volume and adhesion score decreased significantly in the group treated with methanol extract. In addition, significant decreases were observed in TNF-α, VEGF, and IL-6 levels in animals administered methanol extract. HPLC results showed that the activity caused by the methanol extract of M. neglecta was due to the polyphenols. Taken together, these novel findings indicate that M. neglecta may be a promising alternative for the treatment of endometriosis.     

On the Adjacency-Jacobsthal numbers

In this article, we define the adjacency-Jacobsthal sequence and then we obtain the combinatorial representations and the sums of adjacency-Jacobsthal numbers by the aid of generating function and generating matrix of the adjacency-Jacobsthal sequence. Also, we derive the determinantal and the permanental representations of adjacency-Jacobsthal numbers by using certain matrices which are obtained from generating matrix of adjacency-Jacobsthal numbers. Furthermore, using the roots of characteristic polynomial of the adjacency-Jacobsthal sequence, we produce the Binet formula for adjacency-Jacobsthal numbers. Finally, we give the relationships between adjacency-Jacobsthal numbers and Fibonacci, Pell, and Jacobsthal numbers.     

Super solutions of the dynamical Yang-Baxter equation

Solutions of the classical dynamical Yang-Baxter equation on a Lie superalgebra are called super dynamical matrices. A super dynamical matrix satisfies the zero weight condition if

    for all 

In this paper we classify super dynamical matrices with zero weight.

     

Structural rearrangement of Neisseria meningitidis transferrin binding protein A (TbpA) prior to human transferrin protein (hTf) binding

Gram-negative bacterium Neisseria meningitidis, responsible for human infectious disease meningitis, acquires the iron (Fe³⁺) ion needed for its survival from human transferrin protein (hTf). For this transport, transferrin binding proteins TbpA and TbpB are facilitated by the bacterium. The transfer cannot occur without TbpA, while the absence of TbpB only slows down the transfer. Thus, understanding the TbpA-hTf binding at the atomic level is crucial for the fight against bacterial meningitis infections. In this study, atomistic level of mechanism for TbpA-hTf binding is elucidated through 100 ns long all-atom classical MD simulations on free (uncomplexed) TbpA. TbpA protein underwent conformational change from ‘open’ state to ‘closed’ state, where two loop domains, loops 5 and 8, were very close to each other. This state clearly cannot accommodate hTf in the cleft between these two loops. Moreover, the helix finger domain, which might play a critical role in Fe³⁺ ion uptake, also shifted downwards leading to unfavorable Tbp-hTf binding. Results of this study indicated that TbpA must switch between ‘closed’ state to ‘open’ state, where loops 5 and 8 are far from each other creating a cleft for hTf binding. The atomistic level of understanding to conformational switch is crucial for TbpA-hTf complex inhibition strategies. Drug candidates can be designed to prevent this conformational switch, keeping TbpA locked in ‘closed’ state.