Charge-transfer interaction of iodine with some polyamidoamines

The interaction of iodine as a sigma-acceptor with two derivatives of polyamidoamine dendrimers (donor), 1,8-naphthalimide polyamidoamine (PAM1) and 4-piperidino-1,8-naphthalimide polyamidoamine (PAM2) have been investigated spectrophotometrically at room temperature in chloroform. The results indicate the formation of two CT-complexes [(PAM1)I](+)I(3)(-) and [(PAM2)(2)I](+)I(3)(-) with molar ratios of 1:2 and 1:1, respectively. The formation of these two complexes are in good agreement with their elemental analysis, infrared measurements and photometric titration plots based on the characteristic absorption bands of I(3)(-) ion around 280 and 360 nm. Moreover the formation of triiodide ion, I(3)(-), in both of the two complexes was supported by measuring their spectra in the far-infrared region. Three characteristic bands are observed at 125, 110 and 75 cm(-1) due to nu(as)(I-I), nu(s)(I-I) and delta(I(3)(-)), respectively, with C(2v) symmetry.     

Spectroscopic studies on Co(II) and Cu(II) complexes of 6-amino-1-methyl-5-nitrosouracil and its 6-methylamine derivative

Four complexes are obtained during the reactions of 6-amino-1-methyl-5-nitrosouracil and its 6-methylamine derivative with Co(II) and Cu(II) ions. Theses complexes were characterized through their elemental, thermal analysis, infrared and 1H NMR spectroscopes. The obtained results indicate that, the exocyclic oxygen and nitrogen atoms are the most probable binding sites rather than ring nitrogen atoms. For cobalt complexes, the two pyrimidine bases act as bidentate ligands in the anionic form with the dissociation of iminic or N3 proton depending upon the nature of substituents on the pyrimidine ring. For copper complexes, the pyrimidine bases interact in the neutral form as monodentate ligands. Octahedral geometries are proposed for all of these complexes.     

Spectroscopic studies on [(DD18C6H2)(HPA)2](PA)2 and [(DD18C6H2)(DDQ)2](DDQH)2 formed in the reaction of N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane with HPA and DDQ

The interaction of the mixed oxygen-nitrogen cyclic base, N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (DD18C6) with pi-acceptors such as picric acid (HPA) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) has been studied spectrophotometrically in chloroform at 25 degrees C. The results obtained indicate the formation of 1:4 charge-transfer complexes with the general formula (DD18C6)(acceptor)4. The electronic and infrared spectra of charge-transfer complexes along with the (1)H NMR spectra were recorded and discussed. Based on the data obtained, the complexes were formulated as [(DD18C6H2)(HPA)2](PA)2 and [(DD18C6H2)(DDQ)2](DDQH)2. A general mechanism explaining the formation of the DDQ complex has been suggested.     

Enhancing the Anticancer Potential of Targeting Tumor-Associated Metalloenzymes via VEGFR Inhibition by New Triazolo[4,3-a]pyrimidinone Acyclo C-Nucleosides Multitarget Agents

The role of metalloenzymes in tumor progression had broadened their application in cancer therapy. Of these, MMPs and CAs are validated druggable targets that share some pivotal signaling pathways. The majority of MMPs or CAs inhibitors are designed as single-target agents. Despite their transient efficacy, these agents are often susceptible to resistance. This set the stage to introduce dual inhibitors of correlated MMPs and CAs. The next step is expected to target the common vital signaling nodes as well. In this regard, VEGFR-2 is central to various tumorigenesis events involving both families, especially MMP-2 and CA II. Herein, we report simultaneous inhibition of MMP-2, CA II, and VEGFR-2 via rationally designed hybrid 1,2,4-triazolo[4,3-a]pyrimidinone acyclo C-nucleosides. The promising derivatives were nanomolar inhibitors of VEGFR-2 (8; IC₅₀ = 5.89 nM, 9; IC₅₀ = 10.52 nM) and MMP-2 (8; IC₅₀ = 17.44 nM, 9; IC₅₀ = 30.93 nM) and submicromolar inhibitors of CA II (8; IC₅₀ = 0.21 µM, 9; IC₅₀ = 0.36 µM). Docking studies predicted their binding modes into the enzyme active sites and the structural determinants of activity regarding substitution and regioselectivity. MTT assay demonstrated that both compounds were 12 folds safer than doxorubicin with superior anticancer activities against three human cancers recording single-digit nanomolar IC₅₀, thus echoing their enzymatic activities. Up to our knowledge, this study introduces the first in class triazolopyrimidinone acyclo C-nucleosides VEGFR-2/MMP-2/CA II inhibitors that deserve further investigation.     

Simple Zeros of the Riemann Zeta-Function

Assuming the Riemann Hypothesis, Montgomery showed by meansof his pair correlation method that at least two-thirds of thezeros of Riemann's zeta-function are simple. Later he and Taylorimproved this to 67.25 percent and, more recently, Cheer andGoldston increased the percentage to 67.2753. Here we proveby a new method that if the Riemann and Generalized LindelöofHypotheses hold, then at least 70.3704 percent of the zerosare simple and at least 84.5679 percent are distinct. Our methoduses mean value estimates for various functions defined by Dirichletseries sampled at the zeros of the Riemann zeta-function. 1991Mathematics Subject Classification: 11M26.     

Spectroscopic studies on charge-transfer complexes formed in the reaction of ferric(III) acetylacetonate with sigma- and pi-acceptors

The reaction of ferric(III) acetylacetonate (donor), Fe(acac)3, with iodine as a sigma-acceptor and with other different pi-acceptors have been studied spectrophotometrically at room temperature in chloroform. The pi-acceptors used in this investigation are 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), p-chloranil and 7,7',8,8'-tetracyanoquinodimethane (TCNQ). The results indicate the formation of 1:1 charge-transfer complexes with a general formula, [Fe(acac)3 (acceptors)]. The iodine complex was shown to contain the triiodide species, [Fe(acac)3]2I(+)I3-, based on the electronic absorptions as well as on the Far-infrared absorption bands characteristic for the non-linear triiodide species, I3-, with C2v symmetry. The proposed structure of this complex is further supported by thermal and middle infrared measurements.     

ac Conductivity of mixed spinel NiAl0.7Cr0.7Fe0.6O4

ac Conductivity measurements are carried out across the metal to insulator transition in NiAl_0.7Cr_0.7Fe_0.6O₄. The low frequency data is analyzed using Summerfield scaling theory for hopping conductivity. The exponent of the scaling behavior has significantly different values in the conducting and insulating regimes. The hopping frequency and the zero frequency conductivity are found to increase with temperature, slowly in the metallic regime and rapidly in the insulating regime.