Unlocking the Chemical Diversity of Plant Catharanthus roseus: Nuclear Magnetic Resonance Spectroscopy Approach.

Catharanthus roseus, also known as Madagascar periwinkle, is a perennial plant renowned for its extensive pharmacological properties. It produces vital chemotherapeutic compounds, including vinblastine and vincristine, and exhibits anti-inflammatory, antidiabetic, and antioxidant activities. In this study, we utilized a range of two-dimensional (2D) nuclear magnetic resonance (NMR) techniques, such as H-H correlation spectroscopy (COSY), H-H J-resolved NMR, and H-C heteronuclear single quantum coherence (HSQC) sensitivity-enhanced NMR spectroscopy, to identify key metabolites in C.

Unique development of a new dual application probe for selective detection of antiparallel G-quadruplex sequences.

G-Quadruplex (G4) structures play vital roles in many biological processes; consequently, they have been implicated in various human diseases like cancer, Alzheimer's disease . The selective detection of G4 DNA structures is of great interest for understanding their roles and biological functions. Hence, development of multifunctional fluorescent probes is indeed essential.

Systematic Photophysical Interaction Studies Between Newly Synthesised Oxazole Derivatives and Silver Nanoparticles: Experimental and DFT Approach.

In this study, the photophysical properties of oxazole derivatives such as 5-(furan-2-yl) -4-tosyloxazole (OX-1) and 5-(2-bromothiazol-4-yl)-4-tosyloxazoles (OX-2) were investigated using theoretical and experimental techniques. The ground and excited state dipole moments were empirically obtained utilising the solvatochromic shift technique and several solvatochromic correlations such as Lippert's, Bakhshiev's, KawskiChamma- Viallet's, and solvent polarity equations. The ground state dipole moments, HOMO-LUMO and molecule electrostatic potential map were also computed using ab initio calculations and evaluated using Gaussian 09 W software.

Experimental and computational study of the beta shielding properties of polycarbonate filled with lead nitrate.

The mass attenuation coefficient of lead nitrate (Pb(NO3)2)-filled polycarbonate (PC) composite films were determined both computationally (using Baltakmen's and Thummel empirical formulae) and experimentally using 204Tl and 90Sr-90Y radio-isotopes for films at different filler levels 0, 5, 15, 25, 35 and 50 weight percent (Wt.%). In comparison with Thummel empirical formula, the values obtained from Baltakmen's empirical formula is in good agreement with the experiment.

Experimental investigation of the structural features of polycarbonate (PC) filled with bismuth nitrate pentahydrate (BNP) composite films in terms of free volume defects probed by positron annihilation lifetime spectroscopy.

The effect of bismuth nitrate pentahydrate (BNP) on the properties and microstructural features of polycarbonate (PC) has been investigated using PALT, XRD, SEM, EDX, TG, ATR-FTIR and tensile mechanical measurements. Positron Annihilation Lifetime Spectroscopy reveals that the ortho-positronium lifetime and its corresponding intensity significantly decrease as the filler level of BNP in PC (in the composite) increases from 0.3 wt% up to 5.

Microstructural features, spectroscopic study and thermal analysis of potassium permanganate filled PVA-PVP blend films.

Potassium permanganate (KMnO) filled polyvinyl alcohol (PVA)-polyvinylpyrrolidone (PVP) polymeric blend films have been prepared by solution casting technique, with filler levels (FL) varying from 0.01 up to 4.70 mass%.

Crystal structure of (7-methyl-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbo-di-thio-ate.

In the title compound, C17H19NO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0383 (28) Å, and the piperidine ring adopts a chair conformation. The 2H-chromene ring makes dihedral angles of 32.

Crystal structure of diethyl 2-[(2-sulfan-yl-quinolin-3-yl)methyl-idene]malonate.

In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496 (16) Å. A weak intra-molecular C-H⋯O inter-action is observed.

Crystal structure of (6-bromo-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi-thio-ate.

In the title compound, C15H14BrNO3S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.034 (2) Å, and the morpholine ring adopts a chair conformation. The dihedral angle between best plane through the 2H-chromene ring system and the morpholine ring is 86.

Crystal structure of (7-chloro-2-oxo-2H-chromen-4-yl)methyl N,N-di-methyl-carbamodi-thio-ate.

In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005 (2) Å. The packing features C-H⋯S hydrogen bonds and π-π inter-actions between fused benzene rings of chromene [shortest centroid-centroid distances = 3.

Crystal structure of 3-({[(morpholin-4-yl)carbono-thio-yl]sulfan-yl}acet-yl)phenyl benzoate.

In the title compound, C20H19NO4S2, the morpholine ring adopts the expected chair conformation. The central phenyl ring makes dihedral angles of 67.97 (4) and 7.

Ethyl (4-{[(di-ethyl-carbamo-thio-yl)sulfan-yl]meth-yl}-2-oxo-2H-chromen-7-yl)carbamate.

In the title compound, C18H22N2O4S2, the 2H-chromene ring system is essentially planar (r.m.s.

(7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodi-thio-ate.

In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.

(6-Meth-oxy-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodi-thio-ate.

In the title compound, C17H19NO3S2, the maximum deviation of atoms in the 2H-chromene ring system is 0.0097 (14) Å and the piperidine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring and the piperidine ring (all atoms) is 87.

2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl di-ethyl-dithio-carbamate.

In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46 (9) and 83.30 (9)°, respectively.

(7-Chloro-2-oxo-2H-chromen-4-yl)methyl di-ethyl-carbamodi-thio-ate.

In the title compound, C15H16ClNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.023 (2) Å. In the crystal, C-H⋯O hydrogen bonds give R 2 (1)(7) motifs, which generate [100] chains.

2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl pyrrolidine-1-carbodi-thio-ate.

There are two independent mol-ecules in the asymmetric unit of the title compound, C16H15NO3S2, in which the pyrrolidine rings adopt envelope conformations, with a methyl-ene C atom as the flap. The dihedral angles betweeen the near-planar 2H-chromene ring systems [maximum deviations = 0.0167 (20) and 0.

(Z)-Ethyl 2-cyano-3-(1H-imidazol-2-yl)acrylate.

The crystal structure of the title compound, C9H9N3O2, features N-H⋯N and C-H⋯O inter-actions. The N-H⋯N inter-action generates a chain running along the a axis and the C-H⋯O inter-action generates a chain along the c axis. An intra-molecular C-H⋯O inter-action is also observed.

3-(2-Bromo-acet-yl)phenyl benzoate.

In the title compound, C15H11BrO3, the dihedral angle between the benzene rings is 72.59 (6)°. In the crystal, pairs of C-H⋯π contacts form inversion dimers.

(3-Oxo-3H-benzo[f]chromen-1-yl)methyl piperidine-1-carbodithio-ate.

In the title compound, C(20)H(19)N O(2)S(2),the 3Hbenzo-chromene ring system is nearly planar, with a maximum deviation of 0.036 (2) Å, and the piperidine ring adopts a chair conformation: the bond-angle sum for its N atom is 358.7°.

(3-Oxo-3H-benzo[f]chromen-1-yl)methyl N,N-dimethyl-carbamodithio-ate.

In the title compound, C(17)H(15)NO(2)S(2), the 3H-benzo[f]chromene ring system is distinctly twisted; the dihedral angle between the pyran ring and its opposite benzene ring is 9.11 (8)°. The N,N-dimethyl-carbamodithio-ate residue lies almost perpendicular to the pyran ring [dihedral angle = 85.

Gas-liquid chromatography for fenvalerate residue analysis: in vivo alterations in the acetylcholinesterase activity and acetylcholine in different tissues of the fish, Labeo rohita (Hamilton).

The disruption of acetylcholinesterase activity (AChE) in the freshwater fish, Labeo rohita is demonstrated in the present study using acetylthiocholine iodide as substrate. L. rohita on exposure to lethal (6 microg/L) and sub-lethal (0.

Respiratory performance and behavioral responses of the freshwater fish, Cyprinus carpio (Linnaeus) under sublethal chlorpyrifos exposure.

A short-term definitive test by static renewal bioassay method was conducted to determine the acute toxicity (LC50) of an organophosphate insecticide, chlorpyrifos on the fish, Cyprinus carpio. Carp fingerlings were exposed to different concentrations (0.120 to 0.

In vivo inhibition of acetylcholinesterase activity in functionally different tissues of the freshwater fish, Cyprinus carpio, under chlorpyrifos exposure.

The inhibitory effect of chlorpyrifos on acetylcholinesterase (AChE) activity in different concentrations and exposure periods was investigated in the fish, Cyprinus carpio. Sublethal concentrations 14% (0.0224 mg/l) and 7% (0.

Synthesis and biological activities of some new fluorinated coumarins and 1-aza coumarins.

A series of new fluorinated coumarins and 1-aza coumarins have been synthesized and the presence of fluorine in these molecules and its effect on their anti-microbial, anti-inflammatory and analgesic activities are discussed. The results of bioassay showed that these newly synthesized compounds containing fluorine exhibit moderate analgesic and excellent anti-inflammatory and potential anti-bacterial and anti-fungal activities, compared to the other halogenated compounds. All the newly synthesized compounds were characterized by elemental analysis, IR, 1H NMR, 13C NMR, 19F NMR, EI-MS, and FAB-MS.