Recovery of spectral data using weighted canonical correlation regression

The weighted canonical correlation regression technique is employed for reconstruction of reflectance spectra of surface colors from the related XYZ tristimulus values of samples. Flexible input data based on applying certain weights to reflectance and colorimetric values of Munsell color chips has been implemented for each particular sample which belongs to Munsell or GretagMacbeth Colorchecker DC color samples. In fact, the colorimetric and spectrophotometric data of Munsell chips are selected as fundamental bases and the color difference values between the target and samples in Munsell dataset are chosen as a criterion for determination of weighting factors. The performance of the suggested method is evaluated in spectral reflectance reconstruction. The results show considerable improvements in terms of root mean square error (RMS) and goodness-of-fit coefficient (GFC) between the actual and reconstructed reflectance curves as well as CIELAB color difference values under illuminants A and TL84 for CIE1964 standard observer.     

Nanoparticle using parallel split rings and implementation of chain for creating Fano resonance with polarization independence for energy harvesting in mid-infrared

In optical devices, the polarization of the incident wave affects the Nano particle characteristics. Therefore, designing a polarization-independent device is significant in the process of designing optical structures. On the other hand, the concept of Fano resonance and dark mode has been utilized for achieving more energy enhancement. In this paper, we have developed a symmetrical Nano antenna by employing Fano resonance, which is independent of the incident wave polarization. The proposed Nano antenna is modified in mid infrared regime for biosensing and energy harvesting applications. The designed metamaterial antenna is made by Nano split ring resonators with etched capacitive gaps, which are utilized for concentrating energy. The introduced Nano antenna has a bright and dark mode with a weak enhancement of electric field. The effect of the incident wave polarization is investigated at wave incident angles between 0° and 45° to illustrate the independency of the polarization due to the symmetrical shape of the Nano antenna. In order to trigger the dark mode and enhance the electric field, a Nano chain is incorporated in the final structure. This arrangement has led to increasing of electric field drastically. Furthermore, the figure of merit has been calculated as an advantageous factor in sensing the surrounding materials with various refractive indices. Our findings illustrated that the chain arrangement has caused a peak in the linear form of the extinction cross section of the Nano antenna. This in turn has resulted in the appearance of Fano resonance with no impact on the resonance frequency that has been originally adjusted by capacitive gaps and inductive strips.     

BN Nanotube Serving as a Gas Chemical Sensor for N<Subscript>2</Subscript>O by Parallel Electric Field

Density functional theory calculations were performed to understand the electronic properties of C₂₄, B₁₂N₁₂, B₁₂P₁₂, and (6, 0) BNNT interacted with N₂O molecule in the presence and absence of an external electric field using the B3LYP method and 6-31G** basis set. The adsorption of N₂O from O-side on the surface of (6, 0) BNNT has high sensitivity in comparison with B₁₂N₁₂ nano-cage. The adsorption energy of N₂O (O-side) on the sidewalls of B₁₂N₁₂ and BNNT in the presence of an electric field are ?21.01 and ?15.48 kJ mol^?1, respectively. Our results suggest that in the presence of an electric field, the B₁₂N₁₂ nano-cage is the more energetically notable upon the N₂O adsorption than (6, 0) BNNT, C₂₄, and B₁₂P₁₂. Whereas, our results indicate that the electronic property of BNNT is more sensitive to N₂O molecule at the presence of an electric field than B₁₂N₁₂ nano-cage. It is anticipated that BNNT could be a favorable gas sensor for the detection of N₂O molecule.     

Green synthesis of silver nanoparticles from aqueous extract of Ziziphora clinopodioides Lam and evaluation of their bio-activities under in vitro and in vivo conditions

The purpose of this experiment was the green synthesis of silver nanoparticles from aqueous extracts of Ziziphora clinopodioides Lam (AgNPs@Ziziphora) and assessment of their cytotoxicity, antioxidant, antibacterial, antifungal, and cutaneous wound-healing effects. These nanoparticles were characterized using ultraviolet–visible spectroscopy (UV–Vis), X-ray diffraction (XRD), field emission scanning electron microscopy with energy-dispersive X-ray spectroscopy (FESEM-EDX), atomic force microscopy (AFM), and transmission electron microscopy (TEM). UV–Vis, TEM, and FESEM analyses indicated that the size of Ag nanoparticles (AgNPs) depended on Z. clinopodioides and AgNO₃ concentrations. In vitro biological experiments indicated that AgNPs@Ziziphora has excellent antioxidant potential against DPPH, antifungal effects against Candida guilliermondii, Candida krusei, Candida glabrata, and Candida albicans, and antibacterial activities against Staphylococcus aureus, Bacillus subtilis, Streptococcus pneumonia, Salmonella typhimurium, Pseudomonas aeruginosa, and Escherichia coli O157:H7. Also, these nanoparticles did not exhibit cytotoxicity property against human umbilical vein endothelial cells (HUVECs). An in vivo biological test revealed that AgNPs@Ziziphora ointment significantly (p ≤ 0.01) increased the levels of wound contracture, blood vessels, hydroxyl proline, hexuronic acid, hexosamine, fibrocytes, fibroblasts, and fibrocyte/fibroblast ratio and significantly (p ≤ 0.01) decreased the wound area, and levels of total cells, neutrophils, and lymphocytes than other groups in rats. The results of UV–Vis, XRD, FESEM-EDX, AFM, and TEM confirmed that the aqueous extract of Z. clinopodioides can be used to produce silver nanoparticles with significant antioxidant, antimicrobial, and cutaneous wound-healing properties without any cytotoxicity.     

Synthesis of titanium nanoparticles using Allium eriophyllum Boiss aqueous extract by green synthesis method and evaluation of their remedial properties

The application of nanotechnologies to medicine, or nanomedicine, which has already demonstrated its tremendous impact on the pharmaceutical and biotechnology industries, is rapidly becoming a major driving force behind ongoing developments in the antimicrobial and wound healing fields. This study confirms the potential of Allium eriophyllum Boiss aqueous extract for the green synthesis of titanium nanoparticles (TiNPs). Also, we reveal the antioxidant, cytotoxicity, cutaneous wound healing, antifungal and antibacterial properties of TiNPs. These nanoparticles were characterized using Fourier transform infrared (FT‐IR) and UV–visible spectroscopies, X‐ray diffraction (XRD), transmission electron microscopy (TEM) and field emission scanning electron microscopy (SEM). FT‐IR findings suggested molecular interactions of compounds in the plant were the sources of reducing power, reducing titanium ions to TiNPs. In XRD analysis, 22.8 nm was measured for the crystal size of the nanoparticles. SEM and TEM images indicated a uniform spherical morphology and average diameters of 22 nm. 2,2‐Diphenyl‐1‐picrylhydrazyl experiments were conducted to assess the antioxidant activities, which indicated similar antioxidant potentials for TiNPs and butylated hydroxytoluene. In the antimicrobial part of this study, agar diffusion experiments were done to determine the antibacterial and antifungal characteristics. TiNPs had antifungal activities against Candida guilliermondii, C. krusei, C. albicans and C. glabrata and antibacterial potentials against Gram‐negative bacteria (Pseudomonas aeruginosa, Salmonella typhimurium and Escherichia coli O157:H7) and Gram‐positive bacteria (Staphylococcus aureus, Streptococcus pneumoniae and Bacillus subtilis). Also, these nanoparticles did not have any cytotoxicity against human umbilical vein endothelial cells. In in vivo experiments, TiNP ointment significantly decreased (p ≤ 0.01) wound area, total cells, macrophages, neutrophils and lymphocytes and notably increased (p ≤ 0.01) wound contracture, vessels, hydroxyproline, hexosamine, hexuronic acid, fibrocytes and fibrocyte/fibroblast ratio in rats. The results of FT‐IR, UV, XRD, TEM and SEM analyses confirm that aqueous extract of A. eriophyllum leaves can be used to yield TiNPs with notable antioxidant, antibacterial, antifungal and cutaneous wound healing potentials without any cytotoxicity. Further clinical trials are necessary for confirmation of these remedial properties of TiNPs in humans.     

A theoretical investigation on decarboxylation mechanism of antibiotic para-aminosalicylic acid to highly toxic form meta-aminophenol

Structural Chemistry - The antibiotic para-aminosalicylic acid (PAS) is decomposed into its decarboxylated product, meta-aminophenol, with a series of toxicity symptoms including hemolytic anemia....     

Extraction and determination of trace amounts of gold(III), palladium(II), platinum(II) and silver(I) with the aid of a magnetic nanosorbent made from Fe3O4-decorated and silica-coated graphene oxide modified with a polypyrrole-polythiophene copolymer

Microchimica Acta - The authors describe the synthesis of a nanosorbent for fast magnetic solid phase extraction of trace levels of Ag(I), Au(III), Pd(II) and Pt(II). It consists of graphene oxide...     

高效可重复使用多相催化剂Ce(SO_4)_2·4H_2O用于无溶剂一锅合成2,3-二氢喹唑啉-4(1H)-酮(英文)

Cerium(IV) sulfate tetrahydrate, Ce(SO4)2·4H2O, is a novel inorganic solid acidic catalyst that efficiently catalyzes the synthesis of 2,3-dihydroquinazolin-4(1H)-ones via the one-pot three- component reaction of isatoic anhydride, aromatic aldehydes, and a nitrogen source(ammonium acetate, ammonium carbonate, ammonium chloride, or methylamine) under solvent-free conditions. The desired products are obtained in short reaction time with high yields. The catalyst is inexpensive and readily available and can be recovered conveniently and reused such that considerable catalytic activity can still be achieved after the fifth run. Easy work-up and avoiding the use of harmful organic solvents are other advantages of this simple procedure.     

Variation in FPOP Measurements Is Primarily Caused by Poor Peptide Signal Intensity

Fast photochemical oxidation of proteins (FPOP) may be used to characterize changes in protein structure by measuring differences in the apparent rate of peptide oxidation by hydroxyl radicals. The variability between replicates is high for some peptides and limits the statistical power of the technique, even using modern methods controlling variability in radical dose and quenching. Currently, the root cause of this variability has not been systematically explored, and it is unknown if the major source(s) of variability are structural heterogeneity in samples, remaining irreproducibility in FPOP oxidation, or errors in LC-MS quantification of oxidation. In this work, we demonstrate that coefficient of variation of FPOP measurements varies widely at low peptide signal intensity, but stabilizes to ≈?0.13 at higher peptide signal intensity. We dramatically reduced FPOP variability by increasing the total sample loaded onto the LC column, indicating that the major source of variability in FPOP measurements is the difficulties in quantifying oxidation at low peptide signal intensities. This simple method greatly increases the sensitivity of FPOP structural comparisons, an important step in applying the technique to study subtle conformational changes and protein-ligand interactions.

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Quaternary (liquid + liquid) equilibria of aqueous two-phase polyethylene glycol,poly-N-vinylcaprolactam,and KH2PO4: Experimental and the generalized Flory–Huggins theory

A quaternary (liquid + liquid) equilibrium study was performed to focus attention on the interaction parameters between poly-N-vinylcaprolactam (PVCL) and poly-ethylene glycol (PEG) as well as between other species. At first, the new experimental data of (liquid + liquid) equilibria for aqueous two-phase systems containing PEG, KH₂PO₄, and PVCL at T = 303.15 K have been determined. Then the Flory–Huggins theory with two electrostatic terms (the Debye–Huckel and the Pitzer–Debye–Huckel equations) has been generalized to correlate the phase behavior of the quaternary system. Good agreement has been found between experimental and calculated data from both models especially from the Pitzer–Debye–Huckel equation.Also an effort was done to compare the effect of temperature as well as addition of PVCL on the binodal curves of PEG, KH₂PO₄, and water. The effect of the type of salt on the binodals has been also studied, and the salting out power of the salts has been determined.