Investigation of bisindole-linked pyrimidine moieties: synthesis using strantium-aluminum supported strontium aluminate nanophosphors catalyst, DNA reactivity, and in silico molecular docking studies.

In this communication, an innovative and straightforward protocol for the one-pot catalytic synthesis of bis(indolyl)pyrimidine derivatives and their DNA binding abilities is presented. The synthesis involves the condensation of indole with diverse substituted pyrimidine-5-carbaldehydes, employing cost-effective and reusable Sr-Al supported nanophosphors, specifically strontium aluminate (SrAl2O4), as a catalyst. In particular, this method does not require the use of toxic solvents. The Sr-Al supported nanophosphorus catalyst exhibited sustained activity over multiple cycles and showed no significant decline while maintaining its strictly heterogeneous properties. The bis(indolyl)pyrimidine derivatives were extensively characterized using spectroscopic and analytical techniques. Furthermore, the interaction between these derivatives and CT-DNA was investigated by absorption spectroscopy, viscosity measurement, and in silico molecular docking studies. Photoinduced cleavage studies demonstrated the photonuclease activity of the compound against pUC19 DNA upon exposure to UV-visible radiation.

Fabricate, advancement, molecular docking and DNA reactivity of preferred divalent metal(II) complexes attributing (E)-N'-((6-hydroxybenzo[d]oxazol-5-yl) methylene)isonicotinohydrazide.

A series of metal(II) complexes (M=Co (II), Ni(II) and Cu(II)) supported by Schiff base ligand (L=(E)-N'-((6-hydroxybenzo[d]oxazol-5-yl)methylene)isonicotinohydrazide) has been designed and developed from condensation of 6-hydroxybenzo[d]oxazole-5-carbaldehyde and isoniazid. The ligand (H2L) and its metal(II) complexes were structurally characterized utilizing a variety of physicochemical and spectroscopic approaches. The study shows that Schiff bases (H2L) act as monobasic tridentate ONO ligand and conform to octahedral geometry according to the general formula [M(HL)2]. Furthermore, the interaction of these complexes with CT-DNA was investigated at pH = 7.2, utilizing UV-visible absorption, and viscosity measurement. In order to determine the mechanism of binding of the metal(II) complexes to the B-DNA dodecamer, docking studies were conducted using an AutoDock Vina 1.2.0 tool. The photo induced cleavage reveals that the ligand (H2L) and its complexes have UV-visible photo nuclease properties against pUC19 DNA by agarose gel electrophoresis technique. Studies showed that the complexes evaluated firmly bind to CT-DNA via intercalative mode and provides a distinctive pattern of DNA binding.

Suppurative Pylephlebitis With Portal Vein Abscess Mimicking Portal Vein Thrombosis: A Report of Two Cases.

Suppurative pylephlebitis, that is, infected thrombosis of the portal vein and its branches is a rare condition with a high incidence of mortality and is often difficult to diagnose. We report two cases of suppurative pylephlebitis secondary to acute pancreatitis wherein the whole of the portal vein and its branches were transformed into an abscess cavity. The diagnosis was made after pus was seen coming out while the patient was taken up for portal vein thrombolysis. The pus was drained and the cavity was completely evacuated leading to recovery from this infection. These two cases highlight the fact that suppurative pylephlebitis is rare and extremely difficult to diagnose as it mimics portal vein thrombosis, but a high degree of suspicion in critically ill patients with thrombus-like appearance in portal vein having a uniform and homogeneous portal venous content on magnetic resonance imaging not responding to antibiotic therapy may be considered for aspiration for differentiating from thrombus and management.

Cashew nutshell liquid catalyzed green chemistry approach for synthesis of a Schiff base and its divalent metal complexes: molecular docking and DNA reactivity.

Cashew Nut Shell Liquid (CNSL) anacardic acid was used, for the first time, as a green and natural effective catalyst for the synthesis of a quinoline based amino acid Schiff base ligand from the condensation of 2-hydroxyquinoline-3-carbaldehyde with l-tryptophan via solvent-free simple physical grinding technique. The use of the nontoxic CNSL natural catalyst has many benefits over toxic reagents and the desired product was obtained in high yield in a short reaction time. The procedure employed is simple and does not involve column chromatography. Moreover, a series of metal(II) complexes (metal = iron(II), cobalt(II), nickel(II), and copper(II)) supported by the synthesized new quinoline based amino acid Schiff base ligand (L) has been designed and the compositions of the metal(II) complexes were examined by various analytical techniques. The findings imply that the 2-hydroxyquinoline-3-carbaldehyde amino acid Schiff base (L) serves as a dibasic tridentate ONO ligand and synchronizes with the metal(II) in octahedral geometry in accordance with the general formula [M(LH)2]. Molecular docking study of the metal(II) complexes with B-DNA dodecamer has revealed good binding energy. The conductivity parameters in DMSO suggest the existence of nonelectrolyte species. The interaction of these metal complexes with CT-DNA has shown strong binding via an intercalative mode with a different pattern of DNA binding, while UV-visible photo-induced molecular cleavage analysis against plasmid DNA using agarose gel electrophoresis has revealed that the metal complexes exhibit photo induced nuclease activity.

Analysis of microplastics of a broad size range in commercially important mussels by combining FTIR and Raman spectroscopy approaches.

Microplastic (MP) contamination is present in the entire marine environment from the sediment to the water surface and down to the deep sea. This ubiquitous presence of MP particles opens the possibility for their ingestion by nearly all species in the marine ecosystem. Reports have shown that MP particles are present in local commercial seafood species leading to the possible human ingestion of these particles. However, due to a lack of harmonized methods to identify microplastics (MPs), results from different studies and locations can hardly be compared. Hence, this study was aimed to detect, quantify, and estimate MP contamination in commercially important mussels originating from 12 different countries distributed worldwide. All mussels were obtained from supermarkets and were intended for human consumption. Using a combinatorial approach of focal plane array (FPA)-based micro- Fourier-transform infrared (FTIR) spectroscopy and micro-Raman spectroscopy allowed the detection and characterization of MP down to a size of 3 µm in the investigated mussels. Further, a gentle sample purification method based on enzymes has been modified in order to optimize the digestion of organic material in mussels. A random forest classification (RFC) approach, which allows a rapid discrimination between different polymer types and thus fast generation of data on MP abundance and size distributions with high accuracy, was implemented in the analytical pipeline for IR spectra. Additionally, for the first time we also applied a RFC approach for the automated characterization of Raman spectra of MPs.

Zirconia-Cu(I) stabilized copper oxide mesoporous nano-catalyst: Synthesis and DNA reactivity of 1,2,4-oxadiazole-quinolinepeptidomimetics-based metal(II) complexes.

Contemporary research reveals an undemanding protocol for the catalytic synthesis of 1,2,4-oxadiazole-quinolinepeptide in the incidence of a cost-effective and reusable mesoporous ZrO2-supported Cu2O (Cu2ZrO3) catalyst. This paper depicts a unique system for peptide bond synthesis staying away from toxic solvents and reactants. The catalyst was reused for four cycles without noteworthy loss in the activity, and the catalyst was genuinely heterogeneous. The method followed a simple workup procedure, and no column chromatography was needed. Further, the synthesized 1,2,4-oxadiazole-quinolinepeptide ligand (L), and its complexes of type, [FeLCl2] and [CuL]Cl2 were synthesized and characterized by spectral and analytical techniques. An octahedral geometry has been projected for Fe(II) complexes, while the Cu(II) complex exhibits a square planar geometry. The binding properties of the complexes with CT-DNA were studied by absorption spectral analysis, followed by viscosity measurement and thermal denaturation studies. The photo-induced cleavage studies revealed that the complexes possess photonuclease activity against pUC19 DNA under UV-visible irradiation.

DNA binding, photoactivated DNA cleavage and cytotoxic activity of Cu(II) and Co(II) based Schiff-base azo photosensitizers.

A new class of Cu(II) and Co(II) complexes of azo-containing Schiff base of the type [Cu(L1)2] and [Co(L1)2], where L1=4-[(E)-{2-hydroxy-3-[(E)-(4-bromophenyl)diazenyl]benzylidene}amino]benzoic acid have been synthesized and characterized. Extension of conjugation and the presence of free carboxylic acid group of the ligand L1 increased the wavelength of the complexes from visible region to the near IR region (620-850 nm). The Cu(II) and Co(II) complexes interacted with CT-DNA via intercalative mode with the respective Kb value of 3.2×10(4) M(-1) and 2.9×10(4) M(-1) and acted as proficient photocleavers of SC pUC19 DNA in UV-A light, forming (1)O2 as the reactive oxygen species with the quantum yield of 0.38 and 0.36, respectively. Furthermore, the Cu(II) and Co(II) complexes showed photocytotoxicity toward two selected tumor cell lines MCF-7 and A549 by 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) method, and the Cu(II) complex exhibits higher photocytotoxicity than Co(II) complex against each of the selected cell lines, this result is identical with their DNA binding ability order.

Metal based photosensitizers of tetradentate Schiff base: promising role in anti-tumor activity through singlet oxygen generation mechanism.

In the present investigation, a Schiff base N'(1),N'(3)-bis[(Z)-(2-hydroxynapthyl)methylidene]benzene-1,3-dicarbodihydrazide (L1) and its Co(II), Ni(II) and Cu(II) complexes have been synthesized and characterized as novel photosensitizing agents for photodynamic therapy (PDT). The interaction of these complexes with calf thymus DNA (CT DNA) has been explored using absorption, thermal denaturation and viscometric studies. The experimental results revealed that Co(II) and Ni(II) complexes on binding to CT DNA imply a covalent mode, most possibly involving guanine N7 nitrogen of DNA, with an intrinsic binding constant Kb of 4.5×10(4)M(-1) and 4.2×10(4)M(-1), respectively. However, interestingly, the Cu(II) complex is involved in the surface binding to minor groove via phosphate backbone of DNA double helix with an intrinsic binding constant Kb of 5.7×10(4)M(-1). The Co(II), Ni(II) and Cu(II) complexes are active in cleaving supercoiled (SC) pUC19 DNA on photoexposure to UV-visible light of 365nm, through (1)O2 generation with quantum yields of 0.28, 0.25 and 0.30, respectively. Further, these complexes are cytotoxic in A549 lung cancer cells, showing an enhancement of cytotoxicity upon light irradiation.

Synthesis, antimicrobial, DNA-binding and photonuclease studies of cobalt(III) and nickel(II) Schiff base complexes.

New metal complexes of the type [M(nih)(L)](PF(6))(n)·xH(2)O and [M(nih)(2)](PF(6))·xH(2)O (where M=Co(III) or Ni(II), L=1,10-phenanthroline (phen)/or 2,2' bipyridine (bpy), nih=2-hydroxy-1-naphthaldehyde isonicotinoyl hydrazone, n=2 or 1 and x=3 or 2) have been synthesized and characterized by elemental analysis, magnetic, IR and (1)H NMR spectral data. The electronic and magnetic moment 2.97-3.07 B.M. data infers octahedral geometry for all the complexes. The IR data reveals that Schiff base (nih) form coordination bond with the metal ion through azomethine-nitrogen, phenolic-oxygen and carbonyl-oxygen in a tridentate fashion. In addition, DNA-binding properties of these six metal complexes were investigated using absorption spectroscopy, viscosity measurements and thermal denaturation methods. The results indicated that the nickel(II) complex strongly bind with calf-thymus DNA with intrinsic DNA binding constant K(b) value of 4.9×10(4) M(-1) for (3), 4.2×10(4) M(-1) for (4), presumably via an intercalation mechanism compared to cobalt(III) complex with K(b) value of 4.6×10(4) M(-1) (1) and 4.1×10(4) M(-1) (2). The DNA Photoclevage experiment shows that, the complexes act as effective DNA cleavage agent.

Cobalt(II), Nickel(II) and Copper(II) complexes of a tetradentate Schiff base as photosensitizers: Quantum yield of 1O2 generation and its promising role in anti-tumor activity.

In the present investigation, a Schiff base N'1,N'3-bis[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzene-1,3-dicarbohydrazide and its metal complexes have been synthesized and characterized. The DNA-binding studies were performed using absorption spectroscopy, emission spectra, viscosity measurements and thermal denatuaration studies. The experimental evidence indicated that, the Co(II), Ni(II) and Cu(II) complexes interact with calf thymus DNA through intercalation with an intrinsic binding constant Kb of 2.6×10(4) M(-1), 5.7×10(4) M(-1) and 4.5×10(4) M(-1), respectively and they exhibited potent photodamage abilities on pUC19 DNA, through singlet oxygen generation with quantum yields of 0.32, 0.27 and 0.30 respectively. The cytotoxic activity of the complexes resulted that they act as a potent photosensitizers for photochemical reactions.

In vivo prophylactic effects of oleanolic acid isolated from chloroform extract of Flaveria trinervia against ethanol induced liver toxicity in rats.

The prophylactic effects of oleanolic acid (OA) isolated from chloroform extract (CE) of Flaveria trinervia against ethanol induced liver toxicity was investigated using rats. CE and OA at three different doses were tested by administering orally to the ethanol treated animals during the last week of the 7 weeks study. Silymarin was used as the standard reference. The substantially elevated serum enzymatic levels of serum glutamate oxaloacetate transaminase, glutamate pyruvate transaminase, alkaline phosphatase and bilirubin in ethanol treated animals were restored towards normalcy by treatment of CE and OA. In vivo antioxidant and in vitro free radical scavenging activities were also positive for all the three concentrations of CE and OA. However, OA at 150 mg/kg showed significant activity when compared to the other two doses. Biochemical observations in support with histopathological examinations revealed that CE and OA possess hepatoprotective action against ethanol induced hepatotoxicity in rats.

Synthesis, DNA-binding, DNA-photonuclease profiling and antimicrobial activity of novel tetra-aza macrocyclic Ni(II), Co(II) and Cu(II) complexes constrained by thiadiazole.

A new tetra-aza macrocyclic ligand, L (C(24)H(16)N(12)O(2)S(4)) and its complexes of type, [MLCl(2)] and [CuL]Cl(2) (where M=Ni(II), Co(II); L=N,N'-(benzene-1,3-diyldi-1,3,4-thiadiazole-5,2-diyl)bis{2-[(5-benzene-1,3-diyl-1,3,4-thiadiazol-2-yl)amino]acetamide}) were synthesized and characterized by the spectral and analytical techniques. An octahedral geometry has been proposed for Ni(II) and Co(II) complexes while Cu(II) complex exhibit a square planar geometry. All the synthesized metal complexes were screened for their in vitro antimicrobial activity against selected species of pathogenic bacteria and fungi. The binding property of the complexes with CT-DNA was studied by absorption spectral analysis, followed by viscosity measurement and thermal denaturation studies. The photo induced cleavage studies revealed that the complexes possess photonuclease property against pUC19 DNA under UV-visible irradiation.

Synthesis and biological evaluation of new Tetra-aza macrocyclic scaffold constrained oxadiazole, thiadiazole and triazole rings.

A new series of N,N'-(benzene-1,3-diyldi-1,3,4-oxadiazole-5,2-diyl)bis{2-[(5-benzene-1,3-diyl-1,3,4-oxadiazol-2-yl)amino]acetamide}(macrocycle 1), N,N'-(benzene-1,3-diyldi-1,3,4-thiadiazole-5,2-diyl)bis{2-[(5-benzene-1,3-diyl-1,3,4-thiadiazol-2-yl)amino]acetamide} (macrocycle 2) and S,S'-[benzene-1,3-diylbis(4H-1,2,4-triazole-5,3-diyl)]bis{[(5-benzene-1,3-diyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanethioate}(macrocycle 3) was synthesized from isophthalic dihydrazide (4) through a multistep reaction sequence. All the synthesized compounds were screened for their inhibitory effect against four different bacterial strains: P. aeruginosa ATCC-20852, K. pneumoniae MTCC-618, S. aureus ATCC- 29737, S. typhi MTCC- 3214. The synthesized compounds showed a significant zone of inhibition and the results were comparable with that of the standard drug ciprofloxacin. The synthesized compounds were further studied for their possible in vitro antioxidant effects by DPPH scavenging, total antioxidant capacity, total reductive capacity and H(2) O(2) scavenging activity. The results indicated that the in vitro antioxidant activity for all the three molecules was efficient when compared to the standards. The DNA interaction behavior of macrocycles 1-3 with CT-DNA was investigated by the absorption spectra obtained (K(b) constant for 1 is 4.53 × 10(4) M(-1) , for 2 is 5.75 × 10(4) M(-1) and for 3 is 5.86 × 10(4) M(-1) ). Based on the results it can be interpreted that the reducing power effect of the newly synthesized compounds demonstrates a direct effect on DNA binding and hence inhibiting the bacterial growth through their action on DNA by inhibiting DNA replication or DNA transcription.