Microwave promoted synthesis and anticological screening of <Emphasis Type="Italic">β</Emphasis>-aminobisphosphonates-based benzothiazole motif against human breast and colon cancer diseases

New antineoplastic series of substituted benzothiazolo-β-aminobisphosphonic acids have been developed on the basis of the prospecting potency of the benzothiazole motifs and the aminomethylenebisphosphonate moiety as well as on the prediction of the biological activity utilizing computer program PASS, version 2014-1. Target compounds were obtained in excellent yields (70–90%) via Phospha–Michael-type addition reaction of tetraethyl methylene-1,1-bisphosphonate reagent to a group of Schiff bases incorporating benzothiazole moiety. The reactions proceeded under microwave irradiation, utilizing the advantages of the environment, friendly protocol such as high efficiency, short reaction time, and excellent yields. In consistency with the prospected results, the new NBP acids revealed positive properties against human breast and colon tumor cell lines. Remarkable potency for six lead compounds (out of 12) was observed against breast (MCF7, MDAMB/435, MDAMB/231/ATCC, HS-578T with GI₅₀: 2.05–6.47 μM) and colon (COLO-205, HCT-116, HCC-2998, and SW-620 with GI₅₀: 3.03–7.92 μM) carcinoma cell lines when compared with the positive control Adriamycin (breast, GI₅₀: 3.27–6.64 μM; colon, GI₅₀: 4.09–8.75 μM). Notably, there is a consistency between the prediction and the determined biological results.     

Synthesis of [MnCl<Subscript>3</Subscript>(H<Subscript>2</Subscript>O)<Subscript>2</Subscript>(Hatz)]·H<Subscript>2</Subscript>O and investigation of its structure via X-ray diffraction,spectroscopic measurements and DFT calculations

The 3-amino-1,2,4-triazole (atz)-based manganese complex was prepared and characterized through single-crystal X-ray diffraction, IR, EPR, and UV–visible spectroscopy. In the crystal structure, individual complex are interconnected through N(O)–H…Cl hydrogen bonds into 1D undulating chains running parallel to the [110] direction of the unit cell. Chains further grow into 2D supramolecular layers by way of the lattice water molecules of coordination and the chloride anions (O–H…Cl). Layers pack along the b-axis of the unit cell mediated by O–H…Cl(N) and N–H…O(Cl) hydrogen bonds forming a 3D supramolecular architecture. The theoretical calculations were also performed to optimize the structure of the complexes in the gas phase to confirm the structures proposed by X-ray crystallography. In addition, IR and UV–visible spectra of complex were calculated and compared with the corresponding experimental spectra to complete the experimental structural identification. The three-dimensional Hirshfeld surface (3D-HS) and their relative two-dimensional fingerprint plots (2D-FP) reveal that the structure is dominated by H…Cl/Cl…H (50.5%), H…O/O…H (11.3%) and N…O/O…N (10.2%) contacts.     

Metal complexes of salicylhydroxamic acid: equilibrium studies and synthesis

Summary The complex formation equilibria involved in the binary and ternary systems of M^II-SHAM and M^II-SHAM-L [M = Cu, Ni, Co, Zn, Cd, Mn, Hg, Ca or UO₂; SHAM = salicylhydroxamic acid; L = the ligating agent, N-(2-acetamido)iminodiacetic acid (ADA), iminodiacetic acid (IDA) or nitrilotriacetic acid (NTA)] were investigated by the potentiometric technique at 25 °C and ionic strength 0.1 m NaNO₃. The results indicate the formation of 11 and 12 (metal ion:ligand) SHAM complexes. The formation of mixed-ligand complexes followed a stepwise mechanism, whereby an ML complex was first formed, followed by the ligation of SHAM. The relative stability of the mixed-ligand complex was compared with that of the binary complex. The concentration distribution of the complexes possibly formed in solution was evaluated. Solid complexes of SHAM were prepared and characterized by microanalysis, conductivity, i.r., electronic and n.m.r. spectroscopies, and magnetic susceptibility measurements.     

Fractional hypergeometric zeta functions

In this paper we investigate a continuous version of the hypergeometric zeta functions for any positive rational number “a” and demonstrate the analytic continuation. The fractional hypergeometric zeta functions are shown to exhibit many properties analogous to its hypergeometric counter part, including its intimate connection to Bernoulli numbers.

     

Geobacter sulfurreducens can protect 304L stainless steel against pitting in conditions of low electron acceptor concentrations

The effect of Geobacter sulfurreducens cells was studied on the electrochemical behaviour of 304L stainless steel, emphasizing the role of the soluble electron acceptor (fumarate). In fumarate-lacking media, the presence of G. sulfurreducens induced free potential ennoblement in a few hours. This ennoblement has already been observed in standard media that contained fumarate. Our previous studies have shown that G. sulfurreducens shifted the pitting potential toward the positive values. The pits induced by the presence of the bacteria were wider and deeper than in the absence of bacteria. Here, in fumarate-lacking media, similar shift in pitting potential was observed, but the repassivation phase was strongly improved. AFM analysis showed that pits were identical with those observed in the absence of bacteria at lower potential. In contrast with all the previous work where G. sulfurreducens enhanced corrosion, here at a low concentration of electron acceptor, the presence of the bacteria protected the steel against pitting.     

Polymorphism in 3‐acetyl‐4‐hydroxy‐2H‐chromen‐2‐one

A new polymorph (denoted polymorph II) of 3‐acetyl‐4‐hydroxy‐2H‐chromen‐2‐one, C₁₁H₈O₄, was obtained unexpectedly during an attempt to recrystallize the compound from salt–melted ice, and the structure is compared with that of the original polymorph (denoted polymorph I) [Lyssenko & Antipin (2001). Russ. Chem. Bull. 50 , 418–431]. Strong intramolecular O—H...O hydrogen bonds are observed equally in the two polymorphs [O...O = 2.4263 (13) Å in polymorph II and 2.442 (1) Å in polymorph I], with a slight delocalization of the hydroxy H atom towards the ketonic O atom in polymorph II [H...O = 1.32 (2) Å in polymorph II and 1.45 (3) Å in polymorph I]. In both crystal structures, the packing of the molecules is dominated and stabilized by weak intermolecular C—H...O hydrogen bonds. Additional π–π stacking interactions between the keto–enol hydrogen‐bonded rings stabilize polymorph I [the centres are separated by 3.28 (1) Å], while polymorph II is stabilized by interactions between α‐pyrone rings, which are parallel to one another and separated by 3.670 (5) Å.     

A conductometric biosensor for the estimation of the number of cleaving sites in peptides and proteins

A conductometric enzyme biosensor using proteinase K was developed and then tested to relate its electrical signal to the number of proteinase K hydrolysis sites in bovine serum albumin (BSA) and angiotensin, a ten amino acid peptide, with one cleaving site.The conductometric sensor presents a large linear range of response for BSA and angiotensin ranging from 0.5 to 8 mg/l and from 4 to 8 mg/l, respectively. For a same tested concentration (mg/l), the response for native BSA is 12 times higher than for angiotensin. Aspartam was used as negative test and no response was obtained with the proteinase K biosensor. The conductometric sensor permitted also to detect difference on enzyme activity on native and non-native BSA, a response three times higher was obtained for non-native BSA.     

The Jacobi-Dunkl transform on ℝ and the convolution product on new spaces of distributions

In this work, we consider the Jacobi-Dunkl operator Λ _α,β , a 3 b 3 \frac-12\alpha\geq\beta\geq\frac{-1}{2} , a 1 \frac-12\alpha\neq\frac{-1}{2} , on ℝ. The eigenfunction Y_l^a,b\Psi_{\lambda}^{\alpha,\beta} of this operator permits to define the Jacobi-Dunkl transform. The main idea in this paper is to introduce and study the Jacobi-Dunkl transform and the Jacobi-Dunkl convolution product on new spaces of distributions