Development of AIEE active fluorescent and colorimetric probe for the solid, solution, and vapor phase detection of cyanide: smartphone and food applications.

Apart from environmental implications, the extreme toxicity of cyanide can lead to sudden human death upon prolonged exposure to it. Hence, rapid and low-level on-site detection of cyanide has earned paramount significance in the present era. Therefore, an AIEE active and piezofluorochromic Schiff base (probe 2) was synthesized which exhibited highly selective fluorescence enhancement based nanoscale (LOD; 6.

Aggregation induced emission based fluorenes as dual-channel fluorescent probes for rapid detection of cyanide: applications of smartphones and logic gates.

Rational modification of molecular structure by incorporating electron donating groups can play a potential role for designing aggregation induced emission (AIE) active fluorescent probes. Based on this principle, fluorescent probes (1a-c) were synthesized, and they displayed excellent aggregation induced emission (AIE) behavior in a HO/DMF (4 : 1, /) mixture due to restrictions in intramolecular charge transfer (ICT). As a comparison, probe 1d was synthesized by installing an electron withdrawing (-NO) group that surprisingly quenched the aggregation behaviour.

Synthesis, characterization, antioxidant, antileishmanial, anticancer, DNA and theoretical SARS-CoV-2 interaction studies of copper(II) carboxylate complexes.

Copper(II) carboxylate complexes [Cu(OOCR)L] () and [Cu(OOCR`)OCO(R`)CuL] (), where  = 2-methyl pyridine,  = 2-chlorophenyl acetate and R` = 2-fluorophenyl acetate were synthesized and characterized by FT-IR spectroscopy and single crystal X-ray analysis. Complex exhibits the typical paddlewheel array of a dinuclear copper(II) complex with carboxylate ligands. In complex , this scaffold is further extended into a polymeric arrangement based on alternate paddlewheel and square planar moieties with distinct coordination spheres.

Investigation on the effect of alkyl chain linked mono-thioureas as Jack bean urease inhibitors, SAR, pharmacokinetics ADMET parameters and molecular docking studies.

The increasing resistance of pathogens to common antibiotics, as well as the need to control urease activity to improve the yield of soil nitrogen fertilization in agricultural applications, has stimulated the development of novel classes of molecules that target urease as an enzyme. In this context, the newly developed compounds on the basis of 1-heptanoyl-3-arylthiourea family were evaluated for Jack bean urease enzyme inhibition activity to validate their role as potent inhibitors of this enzyme. 1-Heptanoyl-3-arylthioureas were obtained in excellent yield and characterized through spectral and elemental analysis.

Characteristics of pipe corrosion scales in untreated water distribution system and effect on water quality in Peshawar, Pakistan.

This study investigated the characteristics of iron corrosion scales in pipes at tube well, overhead tank, and consumers' end in older untreated water distribution system in Peshawar city, Pakistan. Effect of water quality conditions on corrosion scales and that of scales on drinking water quality in such systems was also assessed by undertaking a comparison with new piped distribution systems. The scales were analyzed for chemical composition and morphology using X-ray diffraction (XRD), inductively coupled plasma (ICP), and a scanning electron microscope (SEM), while water quality was examined for physicochemical and biological characteristics.

Micelles as Soil and Water Decontamination Agents.

Contaminated soil and water pose a serious threat to human health and ecosystem. For the treatment of industrial effluents or minimizing their detrimental effects, preventive and remedial approaches must be adopted prior to the occurrence of any severe environmental, health, or safety hazard. Conventional treatment methods of wastewater are insufficient, complicated, and expensive.

Synthesis and biological activity of benzamide DNA minor groove binders.

A range of di- and triaryl benzamides were synthesised to investigate the effect of the presence and nature of a polar sidechain, bonding and substitution patterns and functionalisation of benzylic substituents. These compounds were tested for their antiproliferative activity as well as their DNA binding activity. The most active compounds in all assays were unsymmetrical triaryl benzamides with a bulky or alkylating benzylic substituent and a polar amino sidechain.

Photochemistry and electrochemistry of anticancer uracils.

The redox mechanism and electronic absorption behavior of a commercial anticancer drug, 5-fluorouracil (5-FU) and two potential anticancer drugs, 2-thiouracil (2-TU) and dithiouracil (DTU) have been investigated in a wide pH range by UV-Vis spectroscopy, cyclic voltammetry and differential pulse voltammetry. The effect of electrolytes, substituents, successive sweeps and potential scan rate on the voltammetric response of uracils was examined. Organized structure-activity relationships of these drugs were established on the basis of the results obtained from electronic absorption spectroscopy and cyclic voltammetry.

Chemistry of DNA minor groove binding agents.

Most of the clinically used anticancer drugs exert their antitumor effect by damaging the replication machinery of DNA either by covalent or non-covalent binding. Intercalation and groove fitting are the major modes of non-covalent interaction. Small crescent shaped molecules have been claimed to bind with DNA via minor grooves.

3,5-Dinitro-benzyl methane-sulfonate.

The title compound, C(8)H(8)N(2)O(7)S, an inter-mediate in the synthesis of N,N-bis-(2-hydroxy-ethyl)-3,5-dinitro-aniline, exists as a discrete mol-ecule; the nitro groups are twisted with respect to the aromatic system [dihedral angles = 17.0 (1) and 26.3 (1)°].

2,2'-(3,5-Dinitro-benzyl-imino)diethanol.

The title compound, C(11)H(15)N(3)O(6), was prepared by the reaction of (3,5-dinitro-benz-yl)methane-sulfonate with diethanol-amine. The asymmetric unit contains four crystallographically independent mol-ecules which differ primarily in their rotation about the bond between the aromatic ring and the N-diethanol unit. The mol-ecules are linked into sheets by a hydrogen-bonding network which involves all of the hydroxy groups, with only van der Waals contacts between the sheets.

N-{3-[Bis(2-hydroxy-ethyl)amino-meth-yl]-5-nitro-phen-yl}benzamide.

The title compound, C(18)H(21)N(3)O(5), was prepared by the reaction of 3-benzamido-5-nitro-benzyl methane-sulfonate with diethano-lamine and is an inter-mediate in the synthesis of DNA minor-groove-binding polybenzamide agents capable of being conjugated to additional biologically active species. The asymmetric unit contains two independent mol-ecules, which differ only in the orientations of the hydroxy-ethyl groups. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link mol-ecules into one-dimensional chains.

N-[3-(tert-Butyl-dimethyl-siloxymeth-yl)-5-nitro-phen-yl]acetamide.

The title compound, C(15)H(24)N(2)O(4)Si, was prepared by the reaction of (3-acetamido-5-nitro-benz-yl)methanol with tert-butyl-dimethyl-silyl chloride and is a key inter-mediate in the synthesis of novel nonsymmetrical DNA minor groove-binding agents. There are two independent mol-ecules in the structure, which differ primarily in the rotation about the C-O bond next to the Si atom. Two strong N-H⋯O hydrogen bonds align the mol-ecules into a wide ribbon extending approximately parallel to the b axis.