Mycotoxins: Simultaneous Detection of Zearalenone and Citrinin by Voltammetry on Edge Plane Pyrolytic Graphite Electrode

Mycotoxins are highly toxic compounds often found in the food. It is of paramount importance to have analytical technique for point‐of‐care on‐spot detection for authorised personnel to immediately take the action required. Electrochemistry offers the portability for miniaturized sensor of mycotoxins. Here we show that edge‐plane pyrolytic electrode offers excellent selectivity and sensitivity towards simultaneous detection of zearalenone and citrinin. This will have a great impact for point‐of‐care mycotoxin detection.     

Thermal studies of furosemide–caffeine binary system that forms a cocrystal

Thermal techniques, differential scanning calorimetry (DSC), and hot stage microscopy (HSM) have been used to study the interactions between furosemide and caffeine that are known to form a 1:1 cocrystal. This system has been used as an example to study the probable mechanism of cocrystal formation when the individual components, which are polymorphic, are heated. The study indicates that the phase transition of the low temperature stable polymorph of furosemide initiates cocrystal formation. This result suggests increased mass transfer rate can trigger cocrystal formation. The binary phase diagram (composition–temperature plots) of furosemide–cocrystal–caffeine system was determined from the DSC curves. The results imply that the cocrystal forms eutectic with caffeine but not with furosemide. This study has thus exemplified the use of DSC in understanding binary phase system where the two components form a cocrystal.     

On the Synthesis,Characterization and Reactivity of N‐Heteroaryl–Boryl Radicals,a New Radical Class Based on Five‐Membered Ring Ligands

The synthesis and physical characterization of a new class of N‐heterocycle–boryl radicals is presented, based on five membered ring ligands with a N(sp²) complexation site. These pyrazole–boranes and pyrazaboles exhibit a low bond dissociation energy (BDE; B?H) and accordingly excellent hydrogen transfer properties. Most importantly, a high modulation of the BDE(B?H) by the fine tuning of the N‐heterocyclic ligand was obtained in this series and could be correlated with the spin density on the boron atom of the corresponding radical. The reactivity of the latter for small molecule chemistry has been studied through the determination of several reaction rate constants corresponding to addition to alkenes and alkynes, addition to O₂, oxidation by iodonium salts and halogen abstraction from alkyl halides. Two selected applications of N‐heterocycle–boryl radicals are also proposed herein, for radical polymerization and for radical dehalogenation reactions.     

Preparation of multiwall carbon nanotubes (MWCNTs) stabilised by highly branched hydrocarbon surfactants and dispersed in natural rubber latex nanocomposites

The performance of single-, double- and triple-chain anionic sulphosuccinate surfactants for dispersing multiwall carbon nanotubes (MWNCTs) in natural rubber latex (NR-latex) was studied using a range of techniques, including field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and Raman spectroscopy. The conductivities of the nanocomposites were also investigated using four-point probe measurements. Here, MWCNTs were efficiently dispersed in NR-latex with the aid of hyperbranched tri-chain sulphosuccinate anionic surfactants, specifically sodium 1,4-bis(neopentyloxy)-3-(neopentyloxycarbonyl)-1,4-dioxobutane-2-sulphonate (TC14). This paper highlights that TC14 performs much better than that of the commercially available surfactant sodium dodecyl sulphate (SDS), demonstrating how careful consideration of surfactant architecture leads to improved dispersibility of MWCNTs in NR-latex. The results should be of significant interest for improving nanowiring applications suitable for aerospace-based technology.     

Carnosine to Combat Novel Coronavirus (nCoV): Molecular Docking and Modeling to Cocrystallized Host Angiotensin-Converting Enzyme 2 (ACE2) and Viral Spike Protein

Aims: Angiotensin-converting enzyme 2 (ACE2) plays an important role in the entry of coronaviruses into host cells. The current paper described how carnosine, a naturally occurring supplement, can be an effective drug candidate for coronavirus disease (COVID-19) on the basis of molecular docking and modeling to host ACE2 cocrystallized with nCoV spike protein. Methods: First, the starting point was ACE2 inhibitors and their structure–activity relationship (SAR). Next, chemical similarity (or diversity) and PubMed searches made it possible to repurpose and assess approved or experimental drugs for COVID-19. Parallel, at all stages, the authors performed bioactivity scoring to assess potential repurposed inhibitors at ACE2. Finally, investigators performed molecular docking and modeling of the identified drug candidate to host ACE2 with nCoV spike protein. Results: Carnosine emerged as the best-known drug candidate to match ACE2 inhibitor structure. Preliminary docking was more optimal to ACE2 than the known typical angiotensin-converting enzyme 1 (ACE1) inhibitor (enalapril) and quite comparable to known or presumed ACE2 inhibitors. Viral spike protein elements binding to ACE2 were retained in the best carnosine pose in SwissDock at 1.75 Angstroms. Out of the three main areas of attachment expected to the protein–protein structure, carnosine bound with higher affinity to two compared to the known ACE2 active site. LibDock score was 92.40 for site 3, 90.88 for site 1, and inside the active site 85.49. Conclusion: Carnosine has promising inhibitory interactions with host ACE2 and nCoV spike protein and hence could offer a potential mitigating effect against the current COVID-19 pandemic.     

Analytical method development and validation of anticancer agent, 5-fluorouracil,and its metabolites in biological matrices: An updated review

Abstract

5-fluorouracil (5-FU) refers to a fluorinated pyrimidine analogue that has been widely used as an anticancer agent for colon, head, and neck cancers. Detection of 5-FU and its metabolites; 5-fluorouridine and 5-fluoro-2-deoxyuridine in biological samples allows optimization of pharmacotherapy and encourages fundamental investigations of this medication. The development of accurate and reliable sample preparation, as well as analytical methods, is critical to isolate targeted analytes from complex matrices, apart from increasing detection sensitivity of analytes. With that, this paper presents a review of prior studies pertaining to chromatographic and electrophoretic methods that focused on the analysis of 5-FU and its metabolites in biological matrices such as plasma and urine. This paper concentrates on HPLC, GC and CE systems, which are the most commonly used strategies for analytical separation of 5-FU and its metabolites from samples. Detection of these antineoplastic agents at trace level demands highly sensitive and selective analytical methodologies. Application of these analytical techniques to biological matrices is reviewed with a focus on method development strategies, including types of mobile phases and background electrolytes employed in LC and CE systems.     

Efficient eco-friendly syntheses of dithiocarbazates and thiosemicarbazones

ABSTRACT

Eight Schiff bases have been synthesized by conventional and three different eco-friendly methods, whereby two aromatic carbonyl compounds viz. 2-thiophenecarboxaldehyde and salicylaldehyde were reacted with S-methyl, S-benzyl, and S-n-octyl-dithiocarbazates and thiosemicarbazide. In order to evaluate the efficiency of the synthesis methods, the time to complete the reaction and the yield of the Schiff base synthezised by eco-friendly methods, such as solvent-free grinding, water as a solvent, and lemon juice as catalyst, were compared with those synthesized by the conventional method. The chemical structures of all the synthesized Schiff bases, where two of them are novel and reported for the first time, were fully characterized by a variety of physico-chemical, analytical, and spectroscopic techniques. The molecular and crystal structures of the Schiff bases especially those having 2-thiophene moiety were further elucidated by single crystal X-ray diffraction analyzes.     

Fluid Flow Analysis of Integrated Porous Bone Scaffold and Cancellous Bone at Different Skeletal Sites: In Silico Study

The dynamic characteristic of bone is its ability to remodel itself through mechanobiological responses. Bone regeneration is triggered by mechanical cues from physiological activities that generate structural strain and cause bone marrow movement. This phenomenon is crucial for bone scaffold when implanted in the cancellous bone as host tissue. Often, the fluid movement of bone scaffold and cancellous bone is studied separately, which does not represent the actual environment once implanted. In the present study, the fluid flow analysis properties of bone scaffold integrated into the cancellous bone at different skeletal sites are investigated. Three types of porous bone scaffolds categorized based on pore size configurations: 1 mm, 0.8 mm and hybrid (0.8 mm interlaced with 0.5 mm) were used. Three different skeletal sites of femoral bone were selected: neck, lateral condyle and medial condyle. Computational fluid dynamics was utilized to analyze the fluid flow properties of bone scaffold integrated cancellous bone. The results of this study reveal that the localization and maximum value of shear stress in an independent bone scaffold are significantly different compared to the bone scaffold integrated with cancellous bone by about 160% to 448% percentage difference. Low shear stress and high permeability were found across models that have higher Tb.Sp (trabecular separation). Specimen C and femoral lateral condyle showed the highest permeability in their respective category.