Cobalt oxide nanoparticles as a novel high-efficiency fiber coating for solid phase microextraction of benzene,toluene, ethylbenzene and xylene from aqueous solutions

In this work cobalt oxide nanoparticles were introduced for preparation of a novel solid phase microextraction (SPME) fiber coating. Chemical bath deposition (CBD) technique was used in order for synthesis and immobilization of the Co₃O₄ nanomaterials on a Pt wire for fabrication of SPME fiber. The prepared cobalt oxide coating was characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis. The fiber was evaluated for the extraction of benzene, toluene, ethylbenzene and xylene (BTEX) in combination with GC–MS. A simplex optimization method was used to optimize the factors affecting the extraction efficiency. Under optimized conditions, the proposed fiber showed extraction efficiencies comparable to those of a commercial polydimethylsiloxane (PDMS) fiber toward the BTEX compounds. The repeatability of the fiber and its reproducibility, expressed as relative standard deviation (RSD), were lower than about 11%. No significant change was observed in the extraction efficiency of the new SPME fiber after over 50 extractions. The fiber was successfully applied to the determination of BTEX compounds in real samples. The proposed nanostructure cobalt oxide fiber is a promising alternative to the commercial fibers as it is robust, inexpensive and easily prepared.     

基于纳米结构的电化学传感器用于伏安法测定苄丝肼、尿酸和叶酸(英文)

A carbon paste electrode modified with carbon nanotubes and ferrocene was fabricated.An electrochemical study of the modified electrode and an investigation into its efficiency for the electrocatalytic oxidation of benserazide,uric acid and folic acid were undertaken.The electrode was also used to study the electrocatalytic oxidation of benserazide using cyclic voltammetry,chronoamperometry,and square wave voltammetry(SWV).We found that the oxidation of benserazide at the surface of the modified electrode occurs at a potential about 285 mV lower than that of unmodified carbon paste electrode.SWV gave a linear dynamic range from 8.0×10-7 to 7.0×10 4 mol/L.The detection limit was 1.0×10-7 mol/L for benserazide.This modified electrode was used for the determination of benserazide,uric acid,and folic acid in an urine sample.     

Paclitaxel loaded poly (DL lactic acid co castor oil) 60:40 with poloxamer‐F68 rod shape cylindrical nanoparticle preparation and in vitro cytotoxicity studies

This research presents a thin‐film hydration‐solvent evaporation method to formulate the paclitaxel loaded poly (DL lactic acid co castor oil) 4:6 with poloxamer‐F68 cylindrical shape nanoparticles. The particles were less than 250 nanometers (nm) in size, with an average width of 60 nm and an average length of 100 nm. The percent yield, encapsulation efficiency (EE), and percent drug loading (DL) were detected. This approach produces drug loading values between 5% and 20% w/w. X‐ray powder diffraction (XRD) identified the physicochemical properties of nanoparticles differential scanning calorimetry (DSC) and Fourier‐transform infrared spectroscopy (FTIR). The investigation shows that the drug is molecularly dispersed in polymers or given in an amorphous or semicrystalline state. Horizontal water bath shaker technology considered the in vitro release of PTX loaded nanoparticles under sink conditions. Poly (DL lactic acid co castor oil) 4:6 nanoparticles exhibited a sustained release analysis. At the end of 30 hours, the percent cumulative drug release from the formulations was between 74.52% and 92.87% for F1 and F4. In vitro cytotoxicity assays indicate that PTX having p (DLLA:CO60:40) nanoparticles have a higher cytotoxic effect on MCF‐7/ADR.     

Self-Assembly of Aminocyclopropenium Salts: En Route to Deltic Ionic Liquid Crystals

Aminocyclopropenium ions have raised much attention as organocatalysts and redox active polymers. However, the self-assembly of amphiphilic aminocyclopropenium ions remains challenging. The first deltic ionic liquid crystals based on aminocyclopropenium ions have been developed. Differential scanning calorimetry, polarizing optical microscopy and X-ray diffraction provided insight into the unique self-assembly and nanosegregation of these liquid crystals. While the combination of small headgroups with linear p-alkoxyphenyl units led to bilayer-type smectic mesophases, wedge-shaped units resulted in columnar mesophases. Upon increasing the size and polyphilicity of the aminocyclopropenium headgroup, a lamellar phase was formed.     

Design,Synthesis, and In Vitro Evaluation of Novel Indolyl DiHydropyrazole Derivatives as Potential Anticancer Agents

Indoles derived from both natural sources or artificial synthetic methods have been known to interact with aryl hydrocarbon receptors (AhR), and exhibit anticancer activity. In light of these attractive properties, a series of hybrid molecules with structural features of indoles, i.e., those bearing a pyrazoline nucleus, were evaluated for their enhanced anticancer activity. The designed molecules were subjected to molecular docking in order to screen for potential AhR interacting compounds, and the identified indolyl dihydropyrazole derivatives were synthesized. The synthesized compounds were characterized, and their cytotoxicity was evaluated against four human cancer cell lines using the MTT assay. Based on the Glide g-score, H-bonding interactions and bonding energy of 20 candidate molecules were selected for further analysis from the 64 initially designed molecules. These candidate molecules have shown promising anti-proliferative activity against the cell lines tested. Among these candidate molecules, the compounds with hydroxy phenyl substitution on the pyrazoline ring have shown potent activity across all the tested cell lines. The designed scaffold was proven effective for screening potential candidate molecules with anticancer properties, and may be further optimized structurally for yielding the ideal anti-tumorigenic compound for the treatment of various cancers.     

Crystallography,Molecular Modeling,and COX-2 Inhibition Studies on Indolizine Derivatives

The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In this study, the design and synthesis of a new series of 7-methoxy indolizines as bioisostere indomethacin analogues (5a–e) were carried out and evaluated for COX-2 enzyme inhibition. All the compounds showed activity in micromolar ranges, and the compound diethyl 3-(4-cyanobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5a) emerged as a promising COX-2 inhibitor with an IC₅₀ of 5.84 µM, as compared to indomethacin (IC₅₀ = 6.84 µM). The molecular modeling study of indolizines indicated that hydrophobic interactions were the major contribution to COX-2 inhibition. The title compound diethyl 3-(4-bromobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5c) was subjected for single-crystal X-ray studies, Hirshfeld surface analysis, and energy framework calculations. The X-ray diffraction analysis showed that the molecule (5c) crystallizes in the monoclinic crystal system with space group P 2₁/n with a = 12.0497(6)Å, b = 17.8324(10)Å, c = 19.6052(11)Å, α = 90.000°, β = 100.372(1)°, γ = 90.000°, and V = 4143.8(4)ų. In addition, with the help of Crystal Explorer software program using the B3LYP/6-31G(d, p) basis set, the theoretical calculation of the interaction and graphical representation of energy value was measured in the form of the energy framework in terms of coulombic, dispersion, and total energy.     

Structure–activity relationship studies of cyclopropenimines as enantioselective Br?nsted base catalysts

We recently demonstrated that chiral cyclopropenimines are viable Brønsted base catalysts in enantioselective Michael and Mannich reactions. Herein, we describe a series of structure–activity relationship studies that provide an enhanced understanding of the effectiveness of certain cyclopropenimines as enantioselective Brønsted base catalysts. These studies underscore the crucial importance of dicyclohexylamino substituents in mediating both reaction rate and enantioselectivity. In addition, an unusual catalyst CH···O interaction, which provides both ground state and transition state organization, is discussed. Cyclopropenimine stability studies have led to the identification of new catalysts with greatly improved stability. Finally, additional demonstrations of substrate scope and current limitations are provided herein.     

Sulfur Nanoparticle-Decorated Nickel Cobalt Sulfide Hetero-Nanostructures with Enhanced Energy Storage for High-Performance Supercapacitors

Transition-metal sulfides exaggerate higher theoretical capacities and were considered a type of prospective nanomaterials for energy storage; their inherent weaker conductivities and lower electrochemical active sites limited the commercial applications of the electrodes. The sheet-like nickel cobalt sulfide nanoparticles with richer sulfur vacancies were fabricated by a two-step hydrothermal technique. The sheet-like nanoparticles self-combination by ultrathin nanoparticles brought active electrodes entirely contacted with the electrolytes, benefiting ion diffusion and charges/discharges. Nevertheless, defect engineers of sulfur vacancy at the atomic level raise the intrinsic conductivities and improve the active sites for energy storage functions. As a result, the gained sulfur-deficient NiCo₂S₄ nanosheets consist of good specific capacitances of 971 F g⁻¹ at 2 A g⁻¹ and an excellent cycle span, retaining 88.7% of the initial capacitance over 3500 cyclings. Moreover, the values of capacitance results exhibited that the fulfilling characteristic of the sample was a combination of the hydrothermal procedure and the surface capacitances behavior. This novel investigation proposes a new perspective to importantly improve the electrochemical performances of the electrode by the absolute engineering of defects and morphologies in the supercapacitor field.     

Structural Homology-Based Drug Repurposing Approach for Targeting NSP12 SARS-CoV-2

The severe acute respiratory syndrome coronavirus 2, also known as SARS-CoV-2, is the causative agent of the COVID-19 global pandemic. SARS-CoV-2 has a highly conserved non-structural protein 12 (NSP-12) involved in RNA-dependent RNA polymerase (RdRp) activity. For the identification of potential inhibitors for NSP-12, computational approaches such as the identification of homologous proteins that have been previously targeted by FDA-approved antivirals can be employed. Herein, homologous proteins of NSP-12 were retrieved from Protein DataBank (PDB) and the evolutionary conserved sequence and structure similarity of the active site of the RdRp domain of NSP-12 was characterized. The identified homologous structures of NSP-12 belonged to four viral families: Coronaviridae, Flaviviridae, Picornaviridae, and Caliciviridae, and shared evolutionary conserved relationships. The multiple sequences and structural alignment of homologous structures showed highly conserved amino acid residues that were located at the active site of the RdRp domain of NSP-12. The conserved active site of the RdRp domain of NSP-12 was evaluated for binding affinity with the FDA-approved antivirals, i.e., Sofosbuvir and Dasabuvir in a molecular docking study. The molecular docking of Sofosbuvir and Dasabuvir with the active site that contains conserved motifs (motif A-G) of the RdRp domain of NSP-12 revealed significant binding affinity. Furthermore, MD simulation also inferred the potency of Sofosbuvir and Dasabuvir. In conclusion, targeting the active site of the RdRp domain of NSP-12 with Dasabuvir and Sofosbuvir might reduce viral replication and pathogenicity and could be further studied for the treatment of SARS-CoV-2.     

Self‐Assembly of Aminocyclopropenium Salts: En Route to Deltic Ionic Liquid Crystals

Aminocyclopropenium ions have raised much attention as organocatalysts and redox active polymers. However, the self‐assembly of amphiphilic aminocyclopropenium ions remains challenging. The first deltic ionic liquid crystals based on aminocyclopropenium ions have been developed. Differential scanning calorimetry, polarizing optical microscopy and X‐ray diffraction provided insight into the unique self‐assembly and nanosegregation of these liquid crystals. While the combination of small headgroups with linear p‐alkoxyphenyl units led to bilayer‐type smectic mesophases, wedge‐shaped units resulted in columnar mesophases. Upon increasing the size and polyphilicity of the aminocyclopropenium headgroup, a lamellar phase was formed.