Stone-Wales Transformation Paths in Fullerene C60

The mechanisms of formation of a metastable defect isomer of fullerene C60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the "dynamic" Stone-Wales transformation at a high sufficient for overcoming potential barriers) temperature can differ from the two "adiabatic" transformation paths discussed in the literature. This behavior is due to the presence of a great near-flat segment of the potential-energy surface in the neighborhood of metastable states. Besides, the sequence of rupture and formation of interatomic bonds is other than that in the case of the adiabatictransformation.Comment: 10 pages, 6 figure

A Study of The Formation of Stationary Localized States Due to Nonlinear Impurities Using The Discrete Nonlinear Schr\"odinger Equation

The Discrete Nonlinear Schr$\ddot{o}$dinger Equation is used to study the formation of stationary localized states due to a single nonlinear impurity in a Caley tree and a dimeric nonlinear impurity in the one dimensional system. The rotational nonlinear impurity and the impurity of the form $-\chi \mid C \mid^{\sigma}$ where $\sigma$ is arbitrary and $\chi$ is the nonlinearity parameter are considered. Furthermore, $\mid C \mid$ represents the absolute value of the amplitude. Altogether four cases are studies. The usual Greens function approach and the ansatz approach are coherently blended to obtain phase diagrams showing regions of different number of states in the parameter space. Equations of critical lines separating various regions in phase diagrams are derived analytically. For the dimeric problem with the impurity $-\chi \mid C \mid^{\sigma}$, three values of $\mid \chi_{cr} \mid$, namely, $\mid \chi_{cr} \mid = 2$, at $\sigma = 0$ and $\mid \chi_{cr} \mid = 1$ and $\frac{8}{3}$ for $\sigma = 2$ are obtained. Last two values are lower than the existing values. Energy of the states as a function of parameters is also obtained. A model derivation for the impurities is presented. The implication of our results in relation to disordered systems comprising of nonlinear impurities and perfect sites is discussed.Comment: 10 figures available on reques

Does News Platform Matter? Comparing Online Journalistic Role Performance to Newspaper, Radio, and Television

The shifting role of journalism in a digital age has affected long-standing journalistic norms across media platforms. This has reinvigorated discussion on how work in online newsrooms compares to other platforms that differ in media affordances and forms. Still, more studies are needed on whether those differences translate into distinct practices, especially when examining cross-national studies. Based on a content analysis of 148,474 stories produced by 365 media organizations from 37 countries, this article compares the performance of journalistic roles in online newsrooms to three other types of media—TV, radio, and print. The paper analyzes if journalistic roles present themselves differently across platforms, and if these differences are constant or they vary across countries. Results show that there are measurable differences in role performance in online journalism compared to other platforms. Platform had a significant impact, particularly in terms of service and infotainment orientation, while the implementation of roles oriented toward public service was more similar. Additionally, country differences in the relationship between role performance and platforms mainly emerged for roles that enable political influence on news coverage, with differences in the relationship between online vs. traditional platforms appearing to be distinct features of the specific political system. © 2023 Informa UK Limited, trading as Taylor & Francis Group

Stationary Localized States Due to a Nonlinear Dimeric Impurity Embedded in a Perfect 1-D Chain

The formation of Stationary Localized states due to a nonlinear dimeric impurity embedded in a perfect 1-d chain is studied here using the appropriate Discrete Nonlinear Schr$\ddot{o}$dinger Equation. Furthermore, the nonlinearity has the form, $\chi |C|^\sigma$ where $C$ is the complex amplitude. A proper ansatz for the Localized state is introduced in the appropriate Hamiltonian of the system to obtain the reduced effective Hamiltonian. The Hamiltonian contains a parameter, $\beta = \phi_1/\phi_0$ which is the ratio of stationary amplitudes at impurity sites. Relevant equations for Localized states are obtained from the fixed point of the reduced dynamical system. $|\beta|$ = 1 is always a permissible solution. We also find solutions for which $|\beta| \ne 1$. Complete phase diagram in the $(\chi, \sigma)$ plane comprising of both cases is discussed. Several critical lines separating various regions are found. Maximum number of Localized states is found to be six. Furthermore, the phase diagram continuously extrapolates from one region to the other. The importance of our results in relation to solitonic solutions in a fully nonlinear system is discussed.Comment: Seven figures are available on reques

From Davydov solitons to decoherence-free subspaces: self-consistent propagation of coherent-product states

The self-consistent propagation of generalized $D_{1}$ [coherent-product] states and of a class of gaussian density matrix generalizations is examined, at both zero and finite-temperature, for arbitrary interactions between the localized lattice (electronic or vibronic) excitations and the phonon modes. It is shown that in all legitimate cases, the evolution of $D_{1}$ states reduces to the disentangled evolution of the component $D_{2}$ states. The self-consistency conditions for the latter amount to conditions for decoherence-free propagation, which complement the $D_{2}$ Davydov soliton equations in such a way as to lift the nonlinearity of the evolution for the on-site degrees of freedom. Although it cannot support Davydov solitons, the coherent-product ansatz does provide a wide class of exact density-matrix solutions for the joint evolution of the lattice and phonon bath in compatible systems. Included are solutions for initial states given as a product of a [largely arbitrary] lattice state and a thermal equilibrium state of the phonons. It is also shown that external pumping can produce self-consistent Frohlich-like effects. A few sample cases of coherent, albeit not solitonic, propagation are briefly discussed.Comment: revtex3, latex2e; 22 pages, no figs.; to appear in Phys.Rev.E (Nov.2001

Discovery of cellular regulation by protein degradation

What follows is a story of some of the lab’s adventures mentioned above, including the inventions of new biochemical and genetic methods. This account stems, in part, from previous descriptions of the early history of the Ub field (31,32). Another antecedent is an interview I gave to Dr. Istvan Hargittai, a distinguished Hungarian chemist. It describes my life and science, including the early years in Moscow, the 1977 escape from the former Soviet Union, the essentially accidental hiring of me by MIT, and the work that ensued (33). The narrative below borrows from these sources, and mentions our more recent contributions as well

Non-irradiation-derived reactive oxygen species (ROS) and cancer: therapeutic implications

Owing to their chemical reactivity, radicals have cytocidal properties. Destruction of cells by irradiation-induced radical formation is one of the most frequent interventions in cancer therapy. An alternative to irradiation-induced radical formation is in principle drug-induced formation of radicals, and the formation of toxic metabolites by enzyme catalysed reactions. Although these developments are currently still in their infancy, they nevertheless deserve consideration. There are now numerous examples known of conventional anti-cancer drugs that may at least in part exert cytotoxicity by induction of radical formation. Some drugs, such as arsenic trioxide and 2-methoxy-estradiol, were shown to induce programmed cell death due to radical formation. Enzyme-catalysed radical formation has the advantage that cytotoxic products are produced continuously over an extended period of time in the vicinity of tumour cells. Up to now the enzymatic formation of toxic metabolites has nearly exclusively been investigated using bovine serum amine oxidase (BSAO), and spermine as substrate. The metabolites of this reaction, hydrogen peroxide and aldehydes are cytotoxic. The combination of BSAO and spermine is not only able to prevent tumour cell growth, but prevents also tumour growth, particularly well if the enzyme has been conjugated with a biocompatible gel. Since the tumour cells release substrates of BSAO, the administration of spermine is not required. Combination with cytotoxic drugs, and elevation of temperature improves the cytocidal effect of spermine metabolites. The fact that multidrug resistant cells are more sensitive to spermine metabolites than their wild type counterparts makes this new approach especially attractive, since the development of multidrug resistance is one of the major problems of conventional cancer therapy

Identification and analysis of unitary loss of long-established protein-coding genes in Poaceae shows evidences for biased gene loss and putatively functional transcription of relics

BACKGROUND: Long-established protein-coding genes may lose their coding potential during evolution (“unitary gene loss”). Members of the Poaceae family are a major food source and represent an ideal model clade for plant evolution research. However, the global pattern of unitary gene loss in Poaceae genomes as well as the evolutionary fate of lost genes are still less-investigated and remain largely elusive. RESULTS: Using a locally developed pipeline, we identified 129 unitary gene loss events for long-established protein-coding genes from four representative species of Poaceae, i.e. brachypodium, rice, sorghum and maize. Functional annotation suggested that the lost genes in all or most of Poaceae species are enriched for genes involved in development and response to endogenous stimulus. We also found that 44 mutated genomic loci of lost genes, which we referred as relics, were still actively transcribed, and of which 84% (37 of 44) showed significantly differential expression across different tissues. More interestingly, we found that there were totally five expressed relics may function as competitive endogenous RNA in brachypodium, rice and sorghum genome. CONCLUSIONS: Based on comparative genomics and transcriptome data, we firstly compiled a comprehensive catalogue of unitary gene loss events in Poaceae species and characterized a statistically significant functional preference for these lost genes as well showed the potential of relics functioning as competitive endogenous RNAs in Poaceae genomes. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1186/s12862-015-0345-x) contains supplementary material, which is available to authorized users