Synthesis,characterization and biological analysis of transition metal complexes with macro cyclic ligands derived from adipic acid,ethylenediamine with diethyloxalate and diethylmalonate

Macro-cyclic ligands from adipic acid, ethylenediamine with diethyloxalate and diethylmalonate and their respective metal complexes of Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) with macro cyclic ligands (LO) and (LM) L [N,N′-bis(2-aminoethyl)hexanediamide] were synthesized successfully. These metal complexes were characterized by Fourier transform infrared, ultraviolet visible spectrometry, proton nuclear magnetic resonance spectroscopy, and mass Spectrometry, CHNS and thermogravimetric analysis. The elemental analysis confirms the structures for Mn(II), Co(II) and Ni(II) complexes similar to octahedral geometry, Cu(II) complexes as a square planar geometry and Zn(II) complexes in the tetrahedral geometry. The molar conductivities of all the metal complexes were taken in 10^?3 M DMSO, and values of all the metal complexes showed their electrolytic nature which indicates the presence of chloride ions. Thermal analysis supports as the metal complexes are thermally stable. The result of antimicrobial activity against various microorganisms confirms that the metal complexes are potent bactericides and fungicides than the ligand. Metal complexes of LO with Cu(II) and Zn(II) were found to be highly active against S. typhimurium than the complexes of LM.

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Magnetic recyclable eggshell-based mesoporous catalyst for biodiesel production from crude neem oil: Process optimization by central composite design and artificial neural network

A magnetically recyclable eggshell-based catalyst (MKEC) was synthesized to circumvent saponification during the conversion of neem, Jatropha, and waste cooking oils (free fatty acid, 2.3–6.6%) to biodiesel. The characterization results indicated that MKEC had a mesoporous structure with the pore width of 3.24 nm, a specific surface area of 128 m²/g, and a pore volume of 0.045 cm³/g. The results confirmed that the MKEC is more tolerant to fatty acid poisoning than calcined eggshell. The effects of process parameters for maximum fatty acid methyl ester (FAME) content were evaluated by central composite design (CCD) and artificial neural network (ANN). The experimental FAME content of 94.5% was achieved for neem oil with a standard deviation (SD) of 0.68, which was in reasonable agreement with predicted values (CCD, 96.9%; ANN, 95.9%; SD, 0.73). The reusability studies showed that the mesoporous catalyst can be reused efficiently for five cycles without much deterioration in its activity.     

The Preparation, Characterization and Biological Activity of Palladium(II) and Platinum(II) Complexes of Tridentate NNS Ligands Derived from S-methyl- and S-benzyldithiocarbazates and the X-ray Crystal Structure of the [Pd(mpasme)Cl] Complex

New complexes of general formula, [M(NNS)Cl] (M = Pd^II, Pt^II; NNS = anionic forms of the 6-methyl-2-formylpyridine Schiff bases of S-methyl- and S-benzyldithiocarbazates) have been prepared and characterized by a variety of physico-chemical techniques. Based on conductance and spectral evidence, a square-planar structure is assigned to these complexes. The crystal and molecular structure of the [Pd(mpasme)Cl] complex (mpasme=anionic form of the 6-methyl-2-formylpyridine Schiff base of S-methyldithiocarbazate) has been determined by X-ray diffraction. The complex has a distorted square-planar geometry with the ligand coordinated to the palladium(II) ion via the pyridine nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom; the fourth coordination position around the palladium(II) ion is occupied by the chloride ligand. The distortion from a regular square-planar geometry is ascribed to the restricted bite angle of the ligand. Both the Schiff bases exhibit strong cytotoxicity against the human ovarian cancer (Caov-3) cell lines, the S-methyl derivative being two times more active than the S-benzyl derivative. The [Pt(mpasme)Cl] complex is moderately active but the palladium(II) complex is weakly active against this cancer. None of the complexes of Hmpsbz are active against Caov-3. The Schiff base, Hmpasme exhibits moderate activity against the bacteria, MRSA, P. aeruginosa and S. typhimurium but is inactive against B. subtilis. Coordination of the ligand with palladium(II) substantially reduces its activity. The Schiff base, Hmpasbz and its palladium(II) and platinum(II) complexes are inactive against these bacteria. The Schiff bases and their palladium(II) and platinum (II) complexes are inactive against the pathogenic fungi, C. albican, Aspergillus ochraceous and Saccharomyces cerevisiae.     

Thermal Investigations of nBABAs

The phase transitions occurring in nBABAs (n = 1 to 5), especially those involving the nematic phase, have been studied by DSC. Schemes of transition are presented and the chain length (n) dependences of the the transition temperatures and entropies are discussed.     

Highly selective enrichment of phosphopeptides using poly(dibenzo‐18‐crown‐6) as a solid‐phase extraction material

A poly(dibenzo‐18‐crown‐6) was used as a new solid‐phase extraction material for the selective enrichment of phosphopeptides. Isolation of phosphopeptides was achieved based on specific ionic interactions between poly(dibenzo‐18‐crown‐6) and the phosphate group of phosphopeptides. Thus, a method was developed and optimized, including loading, washing and elution steps, for the selective enrichment of phosphopeptides. To assess this potential, tryptic digest of three proteins (α‐ casein, β‐casein and ovalbumin) was applied on poly(dibenzo‐18‐crown‐6). The nonspecific products were removed by centrifugation and washing. The spectrometric analysis was performed using matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry. Highly selective enrichment of both mono‐ and multiphosphorylated peptides was achieved using poly(dibenzo‐18‐crown‐6) as solid‐phase extraction material with minimum interference from nonspecific compounds. Furthermore, evaluation of the efficiency of the poly(dibenzo‐18‐crown‐6) was performed by applying the digest of egg white. Finally, quantum mechanical calculations were performed to calculate the binding energies to predict the affinity between poly(dibenzo‐18‐crown‐6) and various ligands. The newly identified solid‐phase extraction material was found to be a highly efficient tool for phosphopeptide recovery from tryptic digest of proteins.     

Influence of thyroid volume reduction on absorbed dose in 131I therapy studied by using Geant4 Monte Carlo simulation

A simulation study has been performed to quantify the effect of volume reduction on the thyroid absorbed dose per decay and to investigate the variation of energy deposition per decay due to β- and γ-activity of 131I with volume/mass of thyroid, for water, ICRP- and ICRU-soft tissue taken as thyroid material. A Monte Carlo model of the thyroid, in the Geant4 radiation transport simulation toolkit was constructed to compute the β- and γ-absorbed dose in the simulated thyroid phantom for various values of its volume. The effect of the size and shape of the thyroid on energy deposition per decay has also been studied by using spherical, ellipsoidal and cylindrical models for the thyroid and varying its volume in 1-25 cm3 range. The relative differences of Geant4 results for different models with each other and MCNP results lie well below 1.870%. The maximum relative difference among the Geant4 estimated results for water with ICRP and ICRU soft tissues is not more than 0.225%. S-values for ellipsoidal, spherical and cylindrical thyroid models were estimated and the relative difference with published results lies within 3.095%. The absorbed fraction values for beta particles show a good agreement with published values within 2.105% deviation. The Geant4 based simulation results of absorbed fractions for gammas again show a good agreement with the corresponding MCNP and EGS4 results （±6.667%） but have 29.032% higher values than that of MIRD calculated values. Consistent with previous studies, the reduction of the thyroid volume is found to have a substantial effect on the absorbed dose. Geant4 simulations confirm dose dependence on the volume/mass of thyroid in agreement with MCNP and EGS4 computed values but are substantially different from MIRD8 data. Therefore, inclusion of size/mass dependence is indicated for 131I radiotherapy of the thyroid.     

Author Correction: Drier Climatic Conditions Increase Withanolide Content of Withania coagulans Enhancing its Inhibitory Potential against Human Prostate Cancer Cells

Applied Biochemistry and Biotechnology - The original version of this article unfortunately contained a mistake in the image of Figure 1 and in Table 4. The corrected version of the figure...     

A New Crystal Phase Molybdate Yb2Mo4O15: The Synthesis and Upconversion Properties

A new upconversion nanocrystal phase Yb₂Mo₄O₁₅:Er is developed by using a facile aqueous‐precipitation procedure combined with thermal annealing. Nanocrystals of Yb₂Mo₄O₁₅ are exclusively synthesized, with particle sizes ranging from 1 to 20 nm. The optical properties are characterized and a high upconversion quantum yield is determined to be ≈1.3% at room temperature, under excitation of ≈500 mW cm^?2 IR (975 nm). To the best of our knowledge, this is the first work concerning the synthesis of nanocrystalline Yb₂Mo₄O₁₅ and the characterization of its upconversion properties, which possesses the potential to be utilized in bio‐probing and thin‐film optoelectronic device applications.