Twenty Hirsch index variants and other indicators giving more or less preference to highly cited papers

The Hirsch index or h‐index is widely used to quantify the impact of an individual's scientific research output, determining the highest number h of a scientist's papers that received at least h citations. Several variants of the index have been proposed in order to give more or less preference to highly cited papers. I analyse the citation records of 26 physicists discussing various suggestions, in particular A, e, f, g, h(2), h_w, hT, ?, m, π, R, s, t, w, and maxprod. The total number of all and of all cited publications as well as the highest and the average number of citations are also compared. Advantages and disadvantages of these indices and indicators are discussed. Correlation coefficients are determined quantifying which indices and indicators yield similar and which yield more deviating rankings of the 26 datasets. For 6 datasets the determination of the indices and indicators is visualized.     

Evaluation of the scientific impact,productivity and biological age based upon the h‐index in three Latin American countries: the materials science case

We discuss the scientific impact of Latin American scientists in the field of materials science. The analysis is based on the h‐index as the scientometric index used to quantify the scientific productivity of an individual. In particular, we focus our analysis in México, Chile and Colombia. We compare the level of productivity between all these countries. We also analyzed the h‐index as function of the biological age, by using the first year of publication of a given scientists as a reference and discussed the general distribution of its quantification. We do not find a clear relationship between these two quantities. Based in our results we propose some political measures that these countries could implement to improve productivity as well as scientific development in this field.     

A non‐destructive approach for doping profiles characterization by micro‐Raman spectroscopy: the case of B‐implanted Ge

B‐implanted Ge samples have been investigated by micro‐Raman spectroscopy under different excitation wavelengths, with the aim of gaining insights about the B distribution at different depths beneath the sample surface. The intensities, observed under the different excitation wavelengths, of the B–Ge Raman peak at about 545 cm⁻¹, which is due to the local vibrational mode of the substitutional B atoms in the Ge matrix, have been used to calibrate the optical absorption lengths in B‐implanted Ge. Then, by using these calibrated values, a very sharp correlation between the spectral features of the Ge–Ge Raman peak at ~300 cm⁻¹ and the content of substitutional B atoms has been derived. Accordingly, a non‐destructive approach, based on micro‐Raman spectroscopy under different excitation wavelengths, is presented to estimate, at least at the lowest depths, the carrier concentration profiles from the spectral features of the Ge–Ge Raman peak. Copyright © 2014 John Wiley & Sons, Ltd.     

Field theory on a non‐commutative plane: a non‐perturbative study

The 2d gauge theory on the lattice is equivalent to the twisted Eguchi–Kawai model, which we simulated at N ranging from 25 to 515. We observe a clear large N scaling for the 1‐ and 2‐point function of Wilson loops, as well as the 2‐point function of Polyakov lines. The 2‐point functions agree with a universal wave function renormalization. The large N double scaling limit corresponds to the continuum limit of non‐commutative gauge theory, so the observed large N scaling demonstrates the non‐perturbative renormalizability of this non‐commutative field theory. The area law for the Wilson loops holds at small physical area as in commutative 2d planar gauge theory, but at large areas we find an oscillating behavior instead. In that regime the phase of the Wilson loop grows linearly with the area. This agrees with the Aharonov‐Bohm effect in the presence of a constant magnetic field, identified with the inverse non‐commutativity parameter. Next we investigate the 3d λϕ⁴ model with two non‐commutative coordinates and explore its phase diagram. Our results agree with a conjecture by Gubser and Sondhi in d = 4, who predicted that the ordered regime splits into a uniform phase and a phase dominated by stripe patterns. We further present results for the correlators and the dispersion relation. In non‐commutative field theory the Lorentz invariance is explicitly broken, which leads to a deformation of the dispersion relation. In one loop perturbation theory this deformation involves an additional infrared divergent term. Our data agree with this perturbative result. We also confirm the recent observation by Ambjø rn and Catterall that stripes occur even in d = 2, although they imply the spontaneous breaking of the translation symmetry.     

Self‐doping PPV oligomers – electrochemistry and structure of the self‐doped systems

A novel class of self‐doping conjugated oligomers, E,E‐2‐(sulfoalkoxy)‐5‐alkoxy‐1,4‐bis[2‐(2,4,6‐trimethoxyphenyl) ethenyl]benzenes, is presented. The synthesis and spectroscopic characterisation of five such oligomers are described, and an electrochemical analysis using cyclic voltammetry is performed to determine the anodic peak potentials. A structural study is performed on six self‐doping oligomers in which the structures and energies of the possible mono‐molecular forms of the electrically conducting doped material are described and evaluated using Hirshfeld charges and the Quantum Theory of Atoms In Molecules. Copyright © 2009 John Wiley & Sons, Ltd.     

Hierarchy of the non‐covalent interactions in the alanine‐based secondary structures. DFT study of the frequency shifts and electron‐density features

The alanine (Ala)‐based cluster models of C5, C7, and C10 H‐bonds are studied at the DFT/B3LYP level. CPMD/BLYP simulations of the infinite polyalanine α‐helix (C13 H‐bond) and the two‐stranded β‐sheets are performed. Combined use of frequency shifts and electron‐density features enable us to detect and describe quantitatively the non‐covalent interactions (H‐bonds) defining the intrinsic properties of Ala‐based secondary structures. The energies of the primary N? H O H‐bonds are decreasing in the following way: C13 > C5 ≥ C7 > C10. The energies of the secondary N? H O, N?H N, and H H interactions are comparable to those of the primary H‐bonds (～4.5 kcal/mol). Side chain–backbone C? H O interaction is found to be the weakest non‐covalent interaction in the considered species. Its energy is ～0.5 kcal/mol in the infinite polyalanine α‐helix. Quantum‐topological electron‐density analysis is found to be a powerful tool for the detection of secondary non‐covalent interactions (C?O H? C and H H) and bifurcated H‐bonds, while the frequency shift study is useful for the identification and characterization of primary or secondary H‐bonds of the N? H O type. Copyright © 2008 John Wiley & Sons, Ltd.     

Self‐association in {2‐[3,4‐alkylenedioxy‐5‐(3‐pyridyl)]‐thienyl}alkanols: an NMR,IR, and single‐crystal X‐ray study

syn‐2,2,4,4‐Tetramethyl‐3‐{2‐[3,4‐alkylenedioxy‐5‐(3‐pyridyl)]thienyl}pentan‐3‐ols self‐associate both in the solid state and in solution. Single‐crystal X‐ray diffraction study of the 3,4‐ethylenedioxythiophene (EDOT) derivative shows that it exists as a centrosymmetric head‐to‐tail, syn dimer in the solid state. The IR spectra of the solids display only a broad OH absorption around 3300 cm^?1, corresponding to a hydrogen‐bonded species. ¹H Nuclear Overhauser Effect Spectroscopy (NOESY) NMR experiments in benzene reveal interactions between the tert‐butyl groups and the H2 and H6 protons of the pyridyl group. Two approaches have been used to determine association constants of the EDOT derivative by NMR titration, based on the concentration dependence of (i) the syn/anti ratio and (ii) the OH proton shift of the syn rotamer. Reasonably concordant results are obtained from 298 to 323 K (3.6 and 3.9 M^?1, respectively, at 298 K). Similar values are obtained from the syn OH proton shift variation for the 3,4‐methylenedioxythiophene (MDOT) derivative. Concentration‐dependent variation of the anti OH proton shift in the latter suggests that the anti isomer associates in the form of an open, singly hydrogen‐bonded dimer, with a much smaller association constant than the syn rotamer. Self‐association constants for 3‐pyridyl‐EDOT‐alkanols with smaller substituents vary by a factor of 4 from (i‐Pr)₂ up to (CD₃)₂, while the hetero‐association constants for the same compounds with pyridine vary slightly less. Copyright © 2007 John Wiley & Sons, Ltd.     

Self‐Imaging Effect Based on Circular Airy Beams

The self‐imaging effect for a superposition of the fundamental circular Airy beams with successively changing radial displacements is investigated. In free space, this self‐imaging along a parabolic trajectory can persist before the focal point. In the linear index potentials with a gradient, the propagation trajectory of circular Airy–Talbot effect can follow some predefined trajectories determined by engineering the index gradient, and the self‐imaging extent can expand provided that each truncated constituent circular Airy beam maintains its form and continues to accelerate before dispersing strongly.     

Multiple‐element spectrometer for non‐resonant inelastic X‐ray spectroscopy of electronic excitations

A multiple‐analyser‐crystal spectrometer for non‐resonant inelastic X‐ray scattering spectroscopy installed at beamline ID16 of the European Synchrotron Radiation Facility is presented. Nine analyser crystals with bending radii R = 1 m measure spectra for five different momentum transfer values simultaneously. Using a two‐dimensional detector, the spectra given by all analysers can be treated individually. The spectrometer is based on a Rowland circle design with fixed Bragg angles of about 88°. The energy resolution can be chosen between 30–2000 meV with typical incident‐photon energies of 6–13 keV. The spectrometer is optimized for studies of valence and core electron excitations resolving both energy and momentum transfer.     

Dichloromethane as solvent and reagent: a case study of photoinduced reactions in mixed phosphonium‐iodonium ylide

Several years ago the photoinduced reaction of mixed phosphonium‐iodonium ylides ( 1 ) with acetylenes ( 2 ) to give λ⁵‐phosphinolines ( 3 ) and substituted furans ( 4 ) was described. This reaction is one‐pot, metal‐free synthesis of heterocycles 3 and 4 with the yields of 40% to 80%. The reaction proceeds only in dichloromethane (DCM) at the high ylide concentrations (>0.01 mol/L). The product analysis by ³¹P NMR, electrospray ionization mass spectrometry, UV‐vis spectrophotometry, and the dynamic light scattering study of the self‐aggregation of the ylide in DCM showed a dual role of the solvent in the photoinduced reactions of mixed phosphonium‐iodonium ylide: (i) at the low ylide concentrations (<0.01 mol/L), the conjugated photoinitiation of the chain reaction in DCM results in the formation of chlorine‐containing products and (ii) at the high ylide concentrations (>0.01 mol/L), the photolysis mechanism is determined by self‐organization of the ylide molecules to give large stable aggregates in DCM, in which the target heterocycles are synthesized. Two important issues follow from the study. First, the annulation reaction between mixed phosphonium‐iodonium ylide and acetylenes occurs only when the reactive intermediates are in close proximity to one other, and, second, DCM is not inert reagent in reactions occurring with participation of radicals and in one form or another can participate in photoinduced radical reactions of various solutes.     

Possibility of non‐adiabatic level crossing by DFT study of tautomerism and potential energy surfaces in of 3‐hydroxy‐5‐(pyrimidin‐2‐yl)‐2H‐pyrrol‐2‐one and its tautomer

3‐Hydroxy‐5‐(pyrimidin‐2‐yl)‐2H‐pyrrol‐2‐one (HYPO, T1) and 2‐hydroxy‐5‐(pyrimidine‐2‐yl)‐3H‐pyrrole‐3‐one (HYPO, T2) have designed in this research to study potential energy curves for their dynamic motions and possibility of crossing between levels. Study of tautomerism shows that T1 tautomer is more stable than T2 (about 5.83 kJ/mol). Dynamic study of possible motions show rate constants (highest possible) equal to 8.82 M/s for tautomerism, 1.70 × 10⁹ M/s for relative rotation of ring (rr) and 3.67 × 10⁶ M/s for rotation of OH bond (br). Moreover, variations of orbital populations, NBO charges, hybridations, and acceptor–donor interactions in IRC steps have been investigated to study the possibility of non‐adiabatic crossing between tautomerism and ring rotation potential energy curves. The data showed that in spite of the fact that these two potentials share three common points, these two potential curves cannot have non‐adiabatic crossing because of different symmetries and a large difference between their barrier energies. Copyright © 2010 John Wiley & Sons, Ltd.     

An extraction algorithm for core‐level excitations in non‐resonant inelastic X‐ray scattering spectra

Non‐resonant inelastic X‐ray scattering of core electrons is a prominent tool for studying site‐selective, i.e. momentum‐transfer‐dependent, shallow absorption edges of liquids and samples under extreme conditions. A bottleneck of the analysis of such spectra is the appropriate subtraction of the underlying background owing to valence and core electron excitations. This background exhibits a strong momentum‐transfer dependence ranging from plasmon and particle–hole pair excitations to Compton scattering of core and valence electrons. In this work an algorithm to extract the absorption edges of interest from the superimposed background for a wide range of momentum transfers is presented and discussed for two examples, silicon and the compound silicondioxide.     

Effect of non‐extensivity parameter q on the damping rate of dust ion acoustic waves in non‐extensive dusty plasma

Kinetic theory has been applied to study the damping characteristics of dust ion acoustic waves (DIAWs) in a dusty plasma comprising q‐non‐extensive distributed electrons and ions, while the dust particles are considered extensive following the Maxwellian velocity distribution function. It is found that the results of the three‐dimensional velocity distribution function are more accurate compared to the results of the one‐dimensional velocity distribution function. The numerical solution of the dispersion relation is carried out to study the effect of the non‐extensivity parameter q on the dispersion, the damping rate, and the range of the values of the normalized wavenumber ( k λ_D) for which the DIAWs are weakly damped. It is found that the change in the value of the electron non‐extensivity parameter q_e has a minor effect on the dispersion, the damping rate, and the range of the values of the normalized wavenumber ( k λ_D) for which the DIAWs are weakly damped, while on the other hand, ion non‐extensivity parameter q_i has a strong effect on these arguments. The effect of other parameters, such as the ratio of electron to ion number density and ratio of electron to ion temperature, on the damping characteristics of DIAWs is also highlighted.     

Light propagation in multi‐step index optical fibres

This paper reviews the theoretical analysis of light propagation we have carried out on multimode multi‐step index (MSI) optical fibres. Starting from the Eikonal equation, we derive the analytical expressions that allow calculating the ray trajectories inside these fibres. We also analyse the effects of leaky rays on the transmission properties of MSI fibres. For this purpose, a single analytical expression for the evaluation of the ray power transmission coefficient is calculated. Afterwards, we investigate the effects of extrinsic and intrinsic coupling losses on the performance of MSI fibres, providing analytical expressions to calculate the coupling loss and, also, determining the most critical parameters. Finally, we carry out a comprehensive numerical analysis of the fibre bandwidth under different source configurations.     

A deep insight into the mechanism of the acid‐catalyzed rearrangement of the Z‐phenylhydrazone of 5‐amino‐3‐benzoyl‐1,2,4‐oxadiazole in a non‐polar solvent

The conversion of the Z‐phenylhydrazone of 5‐amino‐3‐benzoyl‐1,2,4‐oxadiazole ( 1a ) into the relevant 1,2,3‐triazole ( 2a) has been quantitatively studied in toluene in the presence of several halogenoacetic acids ( HAA s, 3a – h ). Again, the occurrence of two reaction pathways has been pointed out: they require one or two moles of acid, respectively, thus repeating the situation previously observed in the presence of trichloroacetic acid. The observed rate constant ratios (k_III/k_II) are only slightly affected by the nature of the acid used. To gain a deeper insight into the action of the acids used we have measured the association constants of the HAA s ( 3a – h) with 4‐nitroaniline ( 4 ) in toluene. Also in this case, the formation of two complexes requiring one (K₂) or two (K₃) moles of acid has been evidenced, but now the K₃/K₂ ratios are significantly affected by the strength of the acid examined. The variation of the K₃/K₂ ratios larger than those concerning the k_III/k_II ratios appears useful to enlighten the very nature of the acid‐catalyzed pathways in toluene, which has been elucidated also carrying out the rearrangement in the presence of mixtures of tribromo‐ and trichloro‐acetic acids at different concentrations. Copyright © 2010 John Wiley & Sons, Ltd.     

Carbon Dots‐Cluster‐DOX Nanocomposites Fabricated by a Co‐Self‐Assembly Strategy for Tumor‐Targeted Bioimaging and Therapy

Carbon‐based nanomaterials could afford versatile potential applications in biomedical optical imaging and as nanoparticle drug carriers, owing to their promising optical and biocompatible capabilities. In this paper, it is first found that amphipathic cetylpyridinium chloride (CPC)‐stabilized oil‐soluble carbon dots (CDs) could self‐assemble into hydrophilic CDs clusters with hydrophobic core under ultrasound, in which CPC acts as carbon source, stabilizer, and phase transfer agent. Next, the size‐control (for size‐dependent passive tumor targeting) and doxorubicin (DOX) uploading of aqueous CDs clusters, and subsequent surface charge modification via overcoating with cRGD‐ and octylamine‐modified polyacrylic acid (cRGD‐PAA‐OA) (reversing their surface charges into negative and introducing active tumor‐targeting ability) are explored systematically. Based on this sequential administration mode, CDs‐cluster‐DOX/cRGD‐PAA‐OA nanocomposites exhibit selective human malignant glioma cell line (U87MG) tumor targeting. In in vitro drug release experiments, the nanocomposites could release DOX timely. Owning to the dual tumor targeting effects and seasonable drug release, CDs‐cluster‐DOX/cRGD‐PAA‐OA show remarkably tumor targetability and enhanced antitumor efficacy (and reduced adverse reaction), comparing to free DOX in animal models. These results indicate that fabricating nanocomposite via co‐self‐assembly strategy is efficient toward drug delivery system for tumor‐targeting theranostic.     

Self‐Assembled Fluorescent and Antibacterial GHK‐Cu Nanoparticles for Wound Healing Applications

GHK‐Cu is demonstrated with the abilities to improve wound healing, accelerate anti‐inflammatory activity, and repair DNA damage. However, the instability of the GHK‐Cu in biological fluids is always a big challenge for its long‐term and efficient function at the target site. Therefore, the self‐assembled GHK‐Cu nanoparticles (GHK‐Cu NPs) are investigated in this work to solve the instability issue. The crystalline nanostructure within the GHK‐Cu nanoparticles offers them visible and near‐infrared fluorescent properties. With the excellent self‐assembly performance, the antibacterial properties of GHK‐Cu NPs are demonstrated using E. coli and S. aureus. The L929 dermal fibroblast cells are utilized to prove the good biocompatibility and enhanced wound healing applications of GHK‐Cu NPs. This study could pave the way for the design and elaboration of a new class of fluorescent peptides with various biological functions in biomedical applications.