Vibrational spectroscopic studies and ab initio calculations of Goniothalamin, a natural product

5,6-Dihydro-6-styryl-2-pyrone (Goniothalamin), is isolated from the leaves of Goniothalamus wightii and identified by spectral analysis and X-ray diffraction studies. FT-IR spectroscopy has also been used to characterize the vibrational bands. The vibrational wavenumbers and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted IR and Raman intensities are reported.     

Isoiridomyrmecin rich essential oil from Nepeta erecta Benth. and its antioxidant activity

The essential oil composition of the aerial parts of Nepeta erecta Benth. (Family: Lamiaceae) from Uttarakhand, India was analysed by capillary gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). A total of 34 constituents were identified representing 94.6% of the oil composition. Oxygenated monoterpenes (74.0%) constituted the major proportion of the oil, dominated by isoiridomyrmecin (70.6%) as a single major constituent. Other significant constituents were caryophyllene oxide (9.6%), β-Bourbonene (2.0%), humulene epoxide II (1.7%) and linalool (1.0%). The in?vitro antioxidant activity (AOA) was assessed using β-Carotene bleaching assay, reducing power, 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and inhibition of lipid peroxidation methods. The oil was found to exhibit AOA by inhibiting β-Carotene bleaching (54.6?±?2.52%) and by scavenging DPPH free radical (IC(50)?=?0.74?±?0.12?mg?mL(-1)). The AOA of the essential oil of N. erecta and its major compound isoiridomyrmecin has not been reported so far.     

Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors

Metal-center-driven spontaneous resolution of a chiral coordination polymer, [Ni(SDB)(BIX)](n) (1), from achiral precursors has been probed by single-crystal X-ray diffraction and circular dichroism spectroscopy. Enantiomorphs 1P and 1M showed a parallel interpenetrated 2D → 3D chiral framework with (8(2).10) topology. Switching of the metal center under the same reaction parameters resulted in isostructural achiral and noninterpenetrating (4,4) grid-type sql networks [M(SDB)(BIX)](n), where M = Co(II), Zn(II), and Cd(II) for 2-4, respectively.     

FT-IR, FT-Raman and SERS spectra of pyridine-3-sulfonic acid

FT-IR and FT-Raman spectra of pyridine-3-sulfonic acid are recorded and analysed. Surface enhanced Raman scattering (SERS) spectrum is recorded in a silver colloid. The bands due to upsilonCH, upsilonSO are enhanced in the SERS spectrum. A likely 'perpendicular orientation' of the molecule on the silver surface is suggested.     

Synergistic effect of copolymers composition on the electrochemical,thermal, and electrical behavior of 5‐lithiosulphoisophthalic acid doped poly(aniline‐co‐2‐isopropylaniline): synthesis,characterization, and applications

The paper reports the synergistic effect of substituent, i.e. isopropyl group on electrical, thermal, and processability of polyaniline in the presence of 5‐lithiosulphoisophthalic acid (LiSIPA). The presence of substituent not only affects the electrochemical redox behavior of polyaniline but also brings changes in the optical and electronic properties of polyaniline. Evaluation of the copolymers as corrosion inhibitor for iron in 1.0 N HCl using electrochemical impedance spectroscopy and Tafel extrapolation method shows that the copolymers and homopolymer show corrosion inhibition efficiency ranging from 69 to 80% depending upon the composition of the copolymers. The copolymers doped with LiSIPA were soluble in organic solvents like methanol, ethanol, isopropanol, N‐methyl pyrrolidinone, and chloroform. The compositions of the copolymers were determined by ¹H NMR spectroscopy. The conductivity of the polymers was found to be in the order of 4.9 to 10^?3 S cm^?1 depending upon the comonomer ratios and concentration of dopant. Cyclic voltammetry of the copolymers shows a shift in peak potential value from 0.157 to 0.398 V when the monomer ratio of aniline to 2‐isopropylaniline in the polymerization reaction was changed from 0.9:0.1 to 0.5:0.5. The polymers were characterized by FTIR and UV‐visible spectroscopy, NMR, X‐ray diffraction, TGA, DSC, and cyclic voltammetry. Copyright © 2008 John Wiley & Sons, Ltd.     

Biomarkers for Alzheimer's Disease – An Overview

Alzheimer's disease (AD) is a complex neurodegenerative disorder with a significant global impact on public health. The emergence of atypical clinical phenotypes challenges traditional diagnostic approaches, necessitating a deeper exploration of biomarkers for accurate identification. The US Food and Drug Administration (FDA) classification of biomarkers and their integration into different stages of AD provide a structured framework for their application in research and clinical settings. Within the context of AD drug development, biomarkers are essential for participant selection, target engagement evaluation, and assessment of pathological hallmarks, including Aβ and tau protein abnormalities. The incorporation of nanoparticles with a biodegradable approach introduces innovative strategies to address the complexities of AD. This paper extensively discusses biomarkers associated with synaptic dysfunction, neuroinflammation, and glial activation, recognizing their significance in elucidating disease mechanisms. Common pathologies such as synuclein and TDP-43 further underscore the multifaceted nature of AD. Current biomarkers for AD diagnosis, encompassing cerebral spinal fluid (CSF) biomarkers and various imaging modalities, reflect the ongoing efforts to enhance early detection and monitoring. Intriguingly, novel biomarkers continue to emerge, offering promising avenues for improved understanding and intervention. Current review provides a comprehensive survey of biomarkers for AD, elucidating their diverse roles across different aspects of the disease. By highlighting their contributions to diagnosis, drug development, and mechanistic insights, this overview underscores the importance of biomarker research in the pursuit of effective AD management and treatment strategies.     

IR,Raman and SERS spectra of ethyl salicylate

The IR and Raman spectra of ethyl salicylate were recorded and analyzed. The surface enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The vibrational wavenumbers of the compound have been computed using the Hartree‐Fock/6‐31G* basis. The direction of charge transfer contribution to SERS has been discussed from the frontier orbital theory. The presence of methyl modes in the SERS spectrum indicates the nearness of the methyl group to the metal surface and the presence of ring vibrations and out‐of‐plane ring modes in the SERS spectrum suggests a flat orientation of the molecule on the silver surface. The first hyperpolarizability is calculated and the calculated molecular geometry has been compared with the reported similar structures. Copyright © 2009 John Wiley & Sons, Ltd.     

Vibrational spectroscopic studies and DFT calculations of 4‐fluoro‐N‐(2‐hydroxy‐4‐nitrophenyl)benzamide

Fourier transform infrared (FT‐IR) and FT‐Raman spectra of 4‐fluoro‐N‐(2‐hydroxy‐4‐nitrophenyl)benzamide were recorded and analyzed. The vibrational wavenumbers and corresponding vibrational assignments were examined theoretically using the Gaussian03 set of quantum chemistry codes. The red‐shift of the NH‐stretching wavenumber in the infrared (IR) spectrum from the computed wavenumber indicates the weakening of the NH bond resulting in proton transfer to the neighboring oxygen atom. The simultaneous IR and Raman activation of the CO‐stretching mode gives the charge transfer interaction through a π‐conjugated path. Copyright © 2008 John Wiley & Sons, Ltd.     

Substituted selenourea–tellurium tetrahalide adducts: Precursors to selenium–tellurium alloys

N,N-Dimethylselenourea (DMSeU) yields, with TeX₄ (X = Cl or Br), a variety of compounds having bonds from selenium to tellurium. Excluding molecules of solvation these compounds display the following stoichiometries: [(DMSeU)₄Te]X₂, (DMSeU)₃(TeX₄)₂, and (DMSeU)₂Te₂X₆. Tetramethylselenourea (TMSeU) gives, with TeBr₄, crystals of (TMSeU)₂TeBr₄. Both the carbon–selenium and tellurium–halogen bonds undergo hydrolysis under mild conditions to yield precipitates that are alloys of selenium and tellurium. Thus, this group of compounds affords a new approach to the synthesis of selenium–tellurium alloys. Some of the properties of these compounds, as well as the crystal structure of [(DMSeU)₄Te]Cl₂, are described in this article.