Cobalt Ferrite/Polyetherimide Composites as Thermally Stable Materials for Electromagnetic Interference Shielding Uses.

The progress of the automated industry has introduced many benefits in our daily life, but it also produces undesired electromagnetic interference (EMI) that distresses the end-users and functionality of electronic devices. This article develops new composites based on a polyetherimide (PEI) matrix and cobalt ferrite (CoFe2O4) nanofiller (10-50 wt%) by mixing inorganic phase in the poly(amic acid) solution, followed by film casting and controlled heating, to acquire the corresponding imide structure. The composites were designed to contain both electric and magnetic dipole sources by including highly polarizable groups (phenyls, ethers, -CN) in the PEI structure and by loading this matrix with magnetic nanoparticles, respectively. The films exhibited high thermal stability, having the temperature at which decomposition begins in the interval of 450-487 °C. Magnetic analyses indicated a saturation magnetization, coercitive force, and magnetic remanence of 27.9 emu g-1, 705 Oe, and 9.57 emu g-1, respectively, for the PEI/CoFe2O4 50 wt%. Electrical measurements evidenced an increase in the conductivity from 4.42 10-9 S/cm for the neat PEI to 1.70 10-8 S/cm for PEI/CoFe2O4 50 wt% at 1 MHz. The subglass γ- and ß-relaxations, primary relaxation, and conductivity relaxation were also examined depending on the nanofiller content. These novel composites are investigated from the point of view of their EMI shielding properties, showing that they are capable of attenuating the electric and magnetic parts of electromagnetic waves.

Molecular Mechanism of Action for Allosteric Modulators and Agonists in CC-chemokine Receptor 5 (CCR5).

The small molecule metal ion chelators bipyridine and terpyridine complexed with Zn2+ (ZnBip and ZnTerp) act as CCR5 agonists and strong positive allosteric modulators of CCL3 binding to CCR5, weak modulators of CCL4 binding, and competitors for CCL5 binding. Here we describe their binding site using computational modeling, binding, and functional studies on WT and mutated CCR5. The metal ion Zn2+ is anchored to the chemokine receptor-conserved Glu-283VII:06/7.39 Both chelators interact with aromatic residues in the transmembrane receptor domain. The additional pyridine ring of ZnTerp binds deeply in the major binding pocket and, in contrast to ZnBip, interacts directly with the Trp-248VI:13/6.48 microswitch, contributing to its 8-fold higher potency. The impact of Trp-248 was further confirmed by ZnClTerp, a chloro-substituted version of ZnTerp that showed no inherent agonism but maintained positive allosteric modulation of CCL3 binding. Despite a similar overall binding mode of all three metal ion chelator complexes, the pyridine ring of ZnClTerp blocks the conformational switch of Trp-248 required for receptor activation, thereby explaining its lack of activity. Importantly, ZnClTerp becomes agonist to the same extent as ZnTerp upon Ala mutation of Ile-116III:16/3.40, a residue that constrains the Trp-248 microswitch in its inactive conformation. Binding studies with 125I-CCL3 revealed an allosteric interface between the chemokine and the small molecule binding site, including residues Tyr-37I:07/1.39, Trp-86II:20/2.60, and Phe-109III:09/3.33 The small molecules and CCL3 approach this interface from opposite directions, with some residues being mutually exploited. This study provides new insight into the molecular mechanism of CCR5 activation and paves the way for future allosteric drugs for chemokine receptors.

Study on the mechanism of ferrite-induced dinitrophenol photodegradation.

We report here the effectiveness of gas chromatography mass spectrometry techniques in establishing the ferrite-associated photocatalytic degradation mechanism of pesticide 2,4-dinitrophenol (2,6-DNP). Unlike the previously discussed DNP-degradation mechanisms that involve either oxidation or reduction reactions, ferrite-based ultraviolet (UV) photodegradation of DNP affords the nontoxic 6-hydroxy-3,5-dinitrohexa-2,4-dienal by an unusual water addition to the benzene core. We searched for and demonstrated the presence of an epoxide of DNP within the photodegradation process, which may unambiguously explain the novel photochemical mechanism. During the 15 min UV photoinduced process, DNP degradation efficiency on the zinc ferrite catalyst was calculated to be 82%, whereas the first-order kinetic rate constant k was as high as 3.4 x 10(-2)min(-1).

Antibacterial activity of Pd(II) complexes with salicylaldehyde-amino acids Schiff bases ligands.

Palladium(II) complexes with Schiff bases ligands derived from salicylaldehyde and amino acids (Ala, Gly, Met, Ser, Val) have been synthesized and characterized by Fourier transform (FT)-IR, UV-Vis and (1)H-NMR spectroscopy. The electrospray mass spectrometry (ES-MS) spectrometry confirms the formation of palladium(II) complexes in 1/2 (M/L) molar ratio. All the Pd(II) complexes 1, [Pd(SalAla)2]Cl2; 2, [Pd(SalGly)2]Cl2; 3, [Pd(SalMet)2]Cl2; 4, [Pd(SalSer)2]Cl2; 5, [Pd(SalVal)2]Cl2; have shown antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Gram-negative bacteria Escherichia coli.

CoFe2O4@HaP as Magnetic Heterostructures for Sustainable Wastewater Treatment.

The aim of this study was to synthesize a CoFe2O4@HaP nanocomposite (HaP-Hydroxyapatite) through the coprecipitation method in aqueous solution, with the purpose of using it in adsorption processes for the removal of Congo Red dye from aqueous solutions. Fourier Transform Infrared Spectroscopy (FT-IR) was used to characterize the synthesized material, identifying absorption bands specific to the functional groups of cobalt ferrite (Fe-O and Co-O at 603 and 472 cm-1) and hydroxyapatite PO43- at 1035, 962, 603 and 565 cm-1. Powder X-ray diffraction confirmed the cubic spinel structure of cobalt ferrite (S.G Fd-3m) and the hexagonal structure of hydroxyapatite (S.G P63/m). The nanocomposite's crystallite size was calculated to be 57.88 nm. Nitrogen adsorption/desorption isotherms and BET specific surface area measurements were used to monitor textural parameters, revealing an increase in specific BET surface area when cobalt ferrite nanoparticles (15 m2/g) were introduced into the hydroxyapatite heterostructure (34 m2/g). Magnetic properties were investigated by interpreting hysteresis curves in the ±10 kOe range, with the nanocomposite showing a saturation magnetization of 34.83 emu/g and a coercivity value of 0.03 kOe. The adsorption capacity of the CoFe2O4@HaP nanocomposite is up to 15.25 mg/g and the pseudo-second-order kinetic model (Type 1) fits the data with a high correlation coefficient of 0.9984, indicating that the chemical adsorption determines the rate-determining step of the process. The obtained nanocomposite is confirmed by the analyses, and the absorption measurements demonstrate that it can be utilized to degrade Congo Red dye.

Interaction of inorganic mercury with CoA-SH and acyl-CoAs.

Sulfur containing biomolecules are involved in complexes with mercury. CoA is an important cofactor for many enzymes involved in metabolic processes. Fatty acyl-CoA-thioesters, substrates of mitochondrial ß-oxidation, are sulfur containing compounds and potential mercury ligands. The CoA-Hg(2+) complex can be easily assessed by UV-Vis spectroscopy or indirectly by antibacterial tests that reconfirmed the protective role of CoA on E. coli. The characteristics of these complexes were determined by means of FTIR spectroscopy. The reverse phase liquid chromatography combined with electrospray ionization tandem mass spectrometry was used for detection of the side-product that resulted through the cleavage of thioesters in the presence of mercury. An unexpected result was the detection of octathioic acid as a product. Our study shows that mitochondrial ß-oxidation can be affected by thioesters depletion assisted by Hg(2+). The GC-MS technique could be used to detect some possible mitochondrial injuries due to the heavy metal ions.

Novel Polyimide/Copper-Nickel Ferrite Composites with Tunable Magnetic and Dielectric Properties.

Heat-resistant magnetic polymer composites were prepared by incorporating cerium-doped copper-nickel ferrite particles, having the general formula Ni1-xCuxFe1.92Ce0.08O4 (x: 0.0, 0.3, 0.6, 1.0), into a polyimide matrix. The effects of particle type and concentration on the thermal, magnetic, and electrical properties of the resulting composites were investigated. The samples were characterized by FTIR, scanning electron microscopy, X-ray diffractometry, thermogravimetric analysis, differential scanning calorimetry, vibrating sample magnetometer, and broadband dielectric spectroscopy. The composites exhibited high thermal stability, having initial decomposition temperatures between 495 and 509 °C. Saturation magnetization (Ms), magnetic remanence (Mr), and coercivity (Hc) were found in range of 2.37-10.90 emu g-1, 0.45-2.84 emu g-1, and 32-244 Oe, respectively. The study of dielectric properties revealed dielectric constant values of 3.0-4.3 and low dielectric losses of 0.016-0.197 at room temperature and a frequency of 1 Hz.

Magnetic Solid-Phase Extraction of Cadmium Ions by Hybrid Self-Assembled Multicore Type Nanobeads.

Novel hybrid inorganic CoFe2O4/carboxymethyl cellulose (CMC) polymeric framework nanobeads-type adsorbents with tailored magnetic properties were synthesized by a combination of coprecipitation and flash-cooling technology. Precise self-assembly engineering of their shape and composition combined with deep testing for cadmium removal from wastewater are investigated. The development of a single nanoscale object with controllable composition and spatial arrangement of CoFe2O4 (CF) nanoparticles in carboxymethyl cellulose (CMC) as polymeric matrix, is giving new boosts to treatments of wastewaters containing heavy metals. The magnetic nanobeads were characterized by means of scanning electron microscopy (SEM), powder X-ray diffraction analysis (XRD), thermogravimetric analysis (TG), and vibrational sample magnetometer (VSM). The magnetic properties of CF@CMC sample clearly exhibit ferromagnetic nature. Value of 40.6 emu/g of saturation magnetization would be exploited for magnetic separation from aqueous solution. In the adsorptions experiments the assessment of equilibrium and kinetic parameters were carried out by varying adsorbent dosage, contact time and cadmium ion concentration. The kinetic behavior of adsorption process was best described by pseudo-second-order model and the Langmuir isotherm was fitted best with maximum capacity uptake of 44.05 mg/g.

A Proteomic Approach to Identify Zein Proteins upon Eco-Friendly Ultrasound-Based Extraction.

Zein is a type of prolamin storage protein that has a variety of biomedical and industrial applications. Due to the considerable genetic variability and polyploidity of the starting material, as well as the extraction methods used, the characterization of the protein composition of zein requires a combination of different analytical processes. Therefore, we combined modern analytical methods such as mass spectrometry (MS), Sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), atomic force microscopy (AFM), or Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) for a better characterization of the extracted zein. In this study, we present an enhanced eco-friendly extraction method, including grinding and sieving corn seeds, for prolamins proteins using an ultrasonic extraction methodology. The use of an ultrasonic homogenizer, 65% ethanol extraction buffer, and 710 µm maize granulation yielded the highest protein extraction from all experimental conditions we employed. An SDS PAGE analysis of the extracted zein protein mainly revealed two intense bands of approximatively 20 and 23 kDa, suggesting that the extracted zein was mostly α-zein monomer. Additionally, MS analysis revealed as a main component the α-zein PMS2 (Uniprot accession no. P24450) type protein in the maize flour extract. Moreover, AFM studies show that extracting zein with a 65% ethanol and a 710 µm granulation yields a homogeneous content that could allow these proteins to be employed in future medical applications. This research leads to a better understanding of zeins content critical for developing new applications of zein in food and pharmaceutical industries, such as biocompatible medical vehicles based on polyplexes complex nanoparticles of zein with antimicrobial or drug delivery properties.

Zn/La Mixed Oxides Prepared by Coprecipitation: Synthesis, Characterization and Photocatalytic Studies.

Mixed oxides containing zinc and lanthanum were prepared by coprecipitation in alkaline medium, followed by calcination at 400 °C. The initial precipitation product and the calcined form were characterized by Brunauer-Emmett-Teller (BET) method adsorption of nitrogen at -196 °C, Scanning Electron Microscopy/Electron-Probe Microanalysis (SEM/EPM), Ultraviolet-Diffuse Reflectance Spectroscopy (UV-DRS) and Infrared (IR) spectroscopy. The band gap slightly changes from 3.23 eV to 3 eV by calcination. The photocatalytic performance of the solids were investigated in diluted aqueous medium, by using clofibric acid (CA), a stable and toxic molecule used as precursor in some pesticides and drugs, as test compound, possibly found in the wastewaters in low concentrations. The effects of the degradation extent, determined by high performance liquid chromatography (HPLC) and total organic carbon (TOC) measurements, were investigated at different initial concentrations of CA. Within about 60 min the CA degradation is almost total at low concentration values (3 ppm) and reaches over 80% in 180 min for an initial concentration of 50 ppm. Moreover, the CA removal performance of photocatalyst remains excellent after three cycles of use: the removal yield was practically total after 60 min in the first two cycles and reached 95% even in the third cycle.

Ligand-selective small molecule modulators of the constitutively active vGPCR US28.

US28 is a broad-spectrum constitutively active G protein-coupled receptor encoded by the human cytomegalovirus (HCMV). It binds and scavenges multiple CC-chemokines as well as CX3CL1 (fractalkine) by constitutive receptor endocytosis to escape immune surveillance. We herein report the design and characterization of a novel library of US28-acting commercially available ligands based on the molecular descriptors of two previously reported US28-acting structures. Among these, we identify compounds capable of selectively recognizing CCL2-and CCL4-, but not CX3CL1-induced receptor conformations. Moreover, we find a direct correlation between the binding properties of small molecule ligands to CCL-induced conformations at the wild-type receptor and functional activity at the C-terminal truncated US28Δ300. As US28Δ300 is devoid of arrestin-recruitment and endocytosis, this highlights the potential usefulness of this construct in future drug discovery efforts aimed at specific US28 conformations. The new scaffolds identified herein represent valuable starting points for the generation of novel anti-HCMV therapies targeting the virus-encoded chemokine receptor US28 in a conformational-selective manner.

Synthesis and antimicrobial activity of some new 1,3,4-thiadiazole and 1,2,4-triazole compounds having a D,L-methionine moiety.

New 1,3,4-thiadiazole, 5a-e, and 1,2,4-triazolecompounds 6a-c, containing a D,L-methionine moiety were synthesized by intramolecular cyclization of 1,4-disubstituted thiosemicarbazides 4a-e in acid and alkaline media, respectively. The potential antimicrobial effects of the synthesized compounds were investigated using the Staphylococcus aureus ATCC 25923, Bacillus antracis ATCC 8705, Bacillus cereus ATCC 10987, Sarcina lutea ATCC 9341 and Escherichia coli ATCC 25922 strains. The newly synthesized compounds exhibited promising activities against Bacillus antracis and Bacillus cereus.

Structure-based discovery of novel US28 small molecule ligands with different modes of action.

The human cytomegalovirus-encoded G protein-coupled receptor US28 is a constitutively active receptor, which can recognize various chemokines. Despite the recent determination of its 2.9 Å crystal structure, potent and US28-specific tool compounds are still scarce. Here, we used structural information from a refined US28:VUF2274 complex for virtual screening of >12 million commercially available small molecule compounds. Using a combined receptor- and ligand-based approach, we tested 98 of the top 0.1% ranked compounds, revealing novel chemotypes as compared to the ~1.45 million known ligands in the ChEMBL database. Two compounds were confirmed as agonist and inverse agonist, respectively, in both IP accumulation and Ca2+ mobilization assays. The screening setup presented in this work is computationally inexpensive and therefore particularly useful in an academic setting as it enables simultaneous testing in binding as well as in different functional assays and/or species without actual chemical synthesis.