[c] 1IntroductionThee xistence of aw ide varietyo fe merging micropollutants in the environment and its effecto nt he wildlife and the humanh ealth has been demonstrated by several studies,especiallyf or some pharmaceutical agents,s uch as antibiotics. Due to the potential impacto fa ntibiotics on non-targeted species,i tb ecame am ajor concern to develop ac ost-effective,h ighly sensitive and easyt oo perate analytical methodf or real-timem onitoring of the level of the pharmaceutical agents.Among the antibiotics,M TZ or 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole belongs to the nitroimidazole group of pharmaceutical agents;i ti se mployed in both human and veterinary medicine to treatd iseases caused by anaerobic bacteria and protozoa [1].H owever, it was found that this drugp ossesses carcinogenic,m utagenic and toxic properties.M TZ metabolites are also carcinogenic and mutagenic in some animal species,b ecause they retain the original nitroimidazoler ing [2].A lthough this compound has been prohibited in food production in many countries,i ti sstill used in aquaculture [3,4].M TZ is not only very soluble in water,b ut it also has photo and hydrolytic stability [5,6],s oi tc an accumulate in the aquatice nvironment [7,8].H ence, this drug can have as ignificant impacto nn on-target aquatic organisms and may lead to the formation of bacterials trains resistant to its effects [9,10] [18][19][20][21][22].M oreover, the assay method for metronidazole recommended by Pharmacopoeia is based on HPLC using UV detection at wavelengtho f318 nm [25].Electrochemical analysisi so ne of the most attractive methods of quantification for different chemical agents, due to its simplicity,h igh sensitivity,f ast response and relatively low cost [23][24].T herefore,d ifferent chemically modified electrodes have been developed for sensing MTZq uantitatively,ass hown in table 1 [18][19][20][21][22].CPE is am ixture of an electrically conducting graphite powder and ap asting liquid. It has been widely usedi n electroanalytical chemistry as aw orking electrode.T his is because it possesses variousa dvantages,e .g;awide potential range,s imple and fast preparation, convenient surAbstract:A ne lectrochemical sensor for metronidazole (MTZ)w as built via the surface modification of ac arbon paste electrode( CPE) by afilm obtainedthrough electropolymerization of a-cyclodextrin( CPE a-CD ). TheC PE a-CD was characterized by cyclic voltammetry (CV)a nd atomic force microscopy (AFM), by both techniques was demonstrated that the polymerf ilm is coating the electrode surface.T he electroreduction behaviour of MTZi nH ClO 4 media as as upporting electrolyte was studied by differential-pulse voltammetric (DPV)t echnique.T he DPV electrochemical process was observed to be diffusionc ontrolled and irreversible.U nder optimal conditions,t he peak current was proportional to MTZ concentration in the rangeo f0 .5 to 103.0 mMw ith ad etection limit of 0.28 AE 0.02 mM. Them ethodw as successfully applied to quantify of MTZi np harmaceutical formul...

Nanotechnology has been used for every single modality in the molecular imaging arena for imaging purposes. Synergic advantages can be explored when multiple molecular imaging modalities are combined with respect to single imaging modalities. Multifunctional nanoparticles have large surface areas, where multiple functional moieties can be incorporated, including ligands for site-specific targeting and radionuclides, which can be detected to create 3D images. Recently, radiolabeled nanoparticles with individual properties have attracted great interest regarding their use in multimodality tumor imaging. Multifunctional nanoparticles can combine diagnostic and therapeutic capabilities for both target-specific diagnosis and the treatment of a given disease. The future of nanomedicine lies in multifunctional nanoplatforms that combine the diagnostic ability and therapeutic effects using appropriate ligands, drugs, responses and technological devices, which together are collectively called theranostic drugs. Co-delivery of radiolabeled nanoparticles is useful in multifunctional molecular imaging areas because it comprises several advantages based on nanoparticles architecture, pharmacokinetics and pharmacodynamic properties.

Inclusion compounds formed between sertraline stereoisomers and β-cyclodextrin, and 2-hydroxypropyl-β-cyclodextrin, were analyzed by using quantum chemistry methods.

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Deformations of the three most common cyclodextrins (α, β, and γ) were induced to form inclusion compounds with sertraline and abacavir. The deformations were obtained from classical molecular dynamics (CMD) using as starting point X‐ray structures. The molecular dynamics were performed in two ways, over the cyclodextrins with and without the presence of a guest. Two characteristic rings within these cyclodextrins were used to measure the distortions observed along with the molecular dynamics. A docking approach was used to build inclusion compounds over the structures obtained from CMD without the presence of sertraline or abacavir. Thus, we compared structures of inclusion compounds obtained from deformations induced by the presence of a guest or with intrinsic deformations exhibited by each cyclodextrin. After this step, each structure was optimized by the PBE0‐D3/6‐31G(d,p) method, and the electron density delivered by this method was used to perform the quantum theory of atoms in molecules approach to analyze intermolecular contacts between sertraline, or abacavir, and three cyclodextrins. From this procedure, we found that inclusion compounds obtained from X‐ray structures present the highest energies over the potential energy surface. Thus, for getting low‐lying energy structures of inclusion compounds, deformations on cyclodextrins are necessary.

The hydrogen bond capabilities of heavier group 14 homologues of HCN and HNC are studied by means of (MP2 and CCSD(T)) methods. It is shown that homologues with donor atoms less electronegative than H are able to form hydrogen bonds.