Using Raman Spectroscopy to Investigate the Molecular Level Characteristics of Endometriosis

Optics and Spectroscopy - Endometriosis is a benign gynecologic disorder. It is particularly common among young women and may make pregnancy difficult. In this study molecular level...     

A one-dimensional silver(I) coordination polymer with saccharin and pyrazine: synthesis,crystal structure,thermal analysis,FTIR spectra,and DFT studies

A silver(I) complex of saccharinate (sac) with pyrazine (pyz), [Ag(sac)(pyz)] _n , has been synthesized and characterized by elemental analysis, IR, thermal analysis, and single-crystal X-ray diffractometry. The complex crystallizes orthorhombic space group Pnma with unit cell parameters of a = 13.0073(9) Å, b = 6.4907(6) Å, c = 13.4007(9) Å, V = 1131.37(15) Å³, and Z = 4. [Ag(sac)(pyz)] _n is a one-dimensional coordination polymer, in which the sac ligand acts as a monodentate ligand through the N atom and the trigonal silver centers are linked by the bridging pyz ligands. The individual chains are connected into two-dimensional supramolemular network by aromatic π(sac)···π(pyz) stacking interactions. The FTIR spectrum of [Ag(sac)(pyz)] _n has been recorded in the region and 4,000–400 cm^?1. The optimized geometry, frequency, and intensity of the vibrational bands of [Ag(sac)(pyz)] _n were obtained by density functional theory (DFT) at the B3LYP level. The vibrational frequencies were calculated and the scaled values have been compared with the experimental FTIR data. The observed and calculated frequencies are found to be in good agreement.     

Preparation and proton conductivity of acid-doped 5-aminotetrazole functional poly(glycidyl methacrylate)

Proton conducting polymer membranes have become crucial due their applications in fuel cells as source of clean energy. In this work, we synthesized poly(glycidyl methacrylate) (PGMA) by conventional free radical polymerization of GMA using azobisisobutyronitrile (AIBN) as initiator. PGMA was modified with 5-aminotetrazole by ring opening of the epoxide group. The composition of the polymer was studied by elemental analysis (EA) and the structures were characterized by FT-IR and solid ¹³C NMR spectra. Thermogravimetry analysis (TG) and differential scanning calorimetry (DSC) were employed to examine the thermal stability and homogeneity of the materials, respectively. Polymers were doped with H₃PO₄ at several stoichometric ratios. The effect of doping on the proton conductivity was studied via impedance spectroscopy. Maximum proton conductivity of acid-doped PGMA-aminotetrazole was found to be 0.01 S/cm at 150 °C in the anhydrous state.     

A new antibacterial silver(I) complex incorporating 2,5‐dimethylpyrazine and the anti‐inflammatory diclofenac

Ag^I‐containing coordination complexes have attracted attention because of their photoluminescence properties and antimicrobial activities and, in principle, these properties depend on the nature of the structural topologies. A novel two‐dimensional silver(I) complex with the anti‐inflammatory diclofenac molecule, namely bis{μ‐2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ³O,O′:O}bis(μ‐2,5‐dimethylpyrazine‐κ²N:N′)silver(I), [Ag₂(C₁₄H₁₀Cl₂NO₂)₂(C₆H₈N₂)]_n, (I), has been synthesized and characterized by single‐crystal X‐ray diffraction, revealing that the Ag^I ions are chelated by the carboxylate groups of the anionic 2‐[2‐(2,6‐dichloroanilino)phenyl]acetate (dicl) ligand in a μ₃‐η¹:η² coordination mode. Each dicl ligand links three Ag^I atoms to generate a one‐dimensional infinite chain. Adjacent chains are connected through 2,5‐dimethylpyrazine (dmpyz) ligands to form a two‐dimensional layer structure parallel to the crystallographic bc plane. The layers are further connected by C—H…π interactions to generate a three‐dimensional supramolecular structure. Additionally, the most striking feature is that the structure contains an intramolecular C—H …Ag anagostic interaction. Furthermore, the title complex has been tested for its in vitro antibacterial activity and is determined to be highly effective on the studied microorganisms.     

Synthesis,crystal structures and characterizations of three new copper(II) complexes including anti‐inflammatory diclofenac

Three new diclofenac‐based copper(II) complexes, namely tetrakis{μ‐2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ²O:O′}bis(methanol‐κO)copper(II), [Cu₂(μ‐dicl)₄(CH₃OH)₂] ( 1 ), bis{2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ²O,O′}bis(1‐vinyl‐1H‐imidazole‐κN³)copper(II), [Cu(dicl)₂(vim)₂] ( 2 ), and bis{2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ²O,O′}bis(1H‐imidazole‐κN³)copper(II), [Cu(dicl)₂(im)₂] ( 3 ) [dicl is diclofenac (C₁₄H₁₀Cl₂NO₂), vim is 1‐vinylimidazole (C₅H₆N₂) and im is imidazole (C₃H₄N₂)], have been synthesized and characterized by elemental analysis, FT–IR spectroscopy, thermal analysis and single‐crystal X‐ray diffraction. X‐ray diffraction analysis shows that complex 1 consists of dimeric units in which the dicl ligand exhibits a bidentate syn,syn‐μ₂ coordination mode linking two copper(II) centres. Complexes 2 and 3 have mononuclear units with the general formula [Cu(dicl)₂L₂] (L is vim or im) in which the Cu^II ions are octahedrally coordinated by two L and two dicl chelating ligands. The L and dicl ligands both occupy the trans positions of the coordination octahedron. The different coordination modes of dicl in the title complexes were revealed by Fourier transform IR (FT–IR) spectroscopy. The spin matching between the copper(II) centres in the dimeric [Cu₂(μ‐dicl)₄(CH₃OH)₂] units was also confirmed by magnetic data to be lower than the spin‐only value and electron paramagnetic resonance (EPR) spectra. The thermal properties of the complexes were investigated by thermogravimetric (TG) and differential thermal analysis (DTA) techniques.     

IR spectroscopic studies on the transmission of substituent effects to carbonyl and thiocarbonyl stretching frequencies in 4-substituted phenyl-4,5-dihydrobenzo [f] [1,4] oxazepin-3 (2H)-ones (thiones)

Single and dual substituent correlation analysis were applied to study transmission of substituent effects on IR carbonyl and thiocarbonyl stretching frequencies of 4-substituted phenyl-4,5-dihydrobenzo [f] [1,4] oxazepin-3 (2H)-ones (5a–n) and -thiones (6a–n). The substituent effects were estimated on the basis of results of the statistical analysis. The differences among the regression coefficients were discussed in terms of the relative importance of the substituent field and resonance effects. For a better understanding of the results, density functional theory (DFT) calculations were performed to determine the preferred geometry and to calculate the theoretical carbonyl and thiocarbonyl stretching frequencies.     

Synthesis and proton conductivity studies of azole functional organic electrolytes

As an attempt to produce azole functional proton conductors, organic electrolytes with triazole and tetrazole functional groups were synthesized via substitution reaction of 1,3,5-benzenetricarbonyl trichloride with aminotriazole and aminotetrazole. The samples were doped with triflic acid with molar ratios of 0.25 and 0.50. FTIR, nuclear magnetic resonance (NMR), and elemental analysis were used to characterize the resulting materials. Thermogravimetric analysis showed that the samples are thermally stable up to 150?°C. The effect of acid doping on proton conductivity was investigated with impedance spectrometer. Both pure samples and the doped ones revealed high proton conductivity. In anhydrous conditions (TMA)-TriTA_0.50 and TMA-TetTA_0.50 have proton conductivities of 1.8 and 19?mS/cm at 150?°C, respectively. Solid-state NMR studies revealed that there are three different types of hydrogen-bonded acidic proton in the systems. Moreover, these different types of acidic protons present at different ratio in triazole and tetrazole systems.     

Spatial modelling of Cs-137 and Sr-90 fallout after the Fukushima Nuclear Power Plant accident

Journal of Radioanalytical and Nuclear Chemistry - Determination of radionuclides transport characteristics is among the most significant research topics, which require extensive multidisciplinary...     

FT-IR Spectroscopic Investigations Adsorption of Pyrazinamide and 4-Aminopyrimidine by Clays

The adsorption of pyrazinamide (PZA) and 4-aminopyrimidine (4APM) on natural sepiolite, loughlinite (Na-sepiolite), natural and ion-exchanged montmorillonite (Co- or Cu-montmorillonite) has been investigated using FT-IR spectroscopy. The intercalation of pyrazinamide and 4-aminopyrimidine within natural and ion-exchanged montmorillonites has been shown by X-ray diffraction to increase the interlayer spacing. PZA and 4APM interacted with montmorillonites by direct or indirect coordination (through water molecules) to the exchangeable cations. The spectroscopic results indicate that PZA or 4APM molecules adsorbed on sepiolite and loughlinite are coordinated to Lewis acidic centers or surface hydroxyls by H-bonding interaction through either one of the pyrimidine ring nitrogen lone pairs (in the case of 4APM) or carbonyl group (in the case of PZA).     

Vibrational spectroscopic investigation of mono and tris-2,2′-bipyridyl metal(II) tetracyanonickelate compounds

The IR and Raman spectra of Cd(2,2-bipy)Ni(CN)₄ and Ni(2,2-bipy)₃Ni(CN)₄·6H₂O.0.5 (2,2-bipy) complexes are reported. The spectral results indicate the existence of structure spectra correlations.Presented at the Sixth International Seminar on Inclusion Compounds, Istanbul, Turkey, 27–31 August, 1995.