First-principles studies on structural, electronic and optical properties of Fe-doped NiS2 counter electrode for Dye- sensitised solar cells using DFT+U / Nur Aisyah Ab Malik Marwan …[et al.]

The structural, electronic, and optical properties of nickel disulfide (NiS2) and iron (Fe)-doped NiS2 were computed by using first-principles calculations through the density functional theory (DFT) method. The Fe was used as a dopant element to understand the behaviour and the key mechanism of Fe-doped NiS2 as a counter electrode in dye-sensitised solar cells (DSSC). The results indicated that the structural properties of the NiS2 as the cubic crystal structure with the space group Pa3 (205) (pyrite structure type) agree with experimental data. The density of states (DOS) of NiS2 and Fe-doped NiS2 shows a gapless bandgap due to Mott-Hubbard insulator behavior. As for optical properties, the optical absorption of NiS2 is shifted towards the infrared (IR) region when doping with Fe while the conductivity of Fe-doped NiS2 is slightly higher in conductivity. These optical properties show that Fe-doped NiS2 is suitable for the photocatalytic activity and may provide an excellent electron charge transfer for a counter electrode in DSSC

Heterochromatin Protein 1 (HP1a) Positively Regulates Euchromatic Gene Expression through RNA Transcript Association and Interaction with hnRNPs in Drosophila

Heterochromatin Protein 1 (HP1a) is a well-known conserved protein involved in heterochromatin formation and gene silencing in different species including humans. A general model has been proposed for heterochromatin formation and epigenetic gene silencing in different species that implies an essential role for HP1a. According to the model, histone methyltransferase enzymes (HMTases) methylate the histone H3 at lysine 9 (H3K9me), creating selective binding sites for itself and the chromodomain of HP1a. This complex is thought to form a higher order chromatin state that represses gene activity. It has also been found that HP1a plays a role in telomere capping. Surprisingly, recent studies have shown that HP1a is present at many euchromatic sites along polytene chromosomes of Drosophila melanogaster, including the developmental and heat-shock-induced puffs, and that this protein can be removed from these sites by in vivo RNase treatment, thus suggesting an association of HP1a with the transcripts of many active genes. To test this suggestion, we performed an extensive screening by RIP-chip assay (RNA–immunoprecipitation on microarrays), and we found that HP1a is associated with transcripts of more than one hundred euchromatic genes. An expression analysis in HP1a mutants shows that HP1a is required for positive regulation of these genes. Cytogenetic and molecular assays show that HP1a also interacts with the well known proteins DDP1, HRB87F, and PEP, which belong to different classes of heterogeneous nuclear ribonucleoproteins (hnRNPs) involved in RNA processing. Surprisingly, we found that all these hnRNP proteins also bind heterochromatin and are dominant suppressors of position effect variegation. Together, our data show novel and unexpected functions for HP1a and hnRNPs proteins. All these proteins are in fact involved both in RNA transcript processing and in heterochromatin formation. This suggests that, in general, similar epigenetic mechanisms have a significant role on both RNA and heterochromatin metabolisms

Discovery of Therapeutic Approaches for Polyglutamine Diseases: A Summary of Recent Efforts

Polyglutamine (PolyQ) diseases are a group of neurodegenerative disorders caused by the expansion of cytosine-adenine-guanine (CAG) trinucleotide repeats in the coding region of specific genes. This leads to the production of pathogenic proteins containing critically expanded tracts of glutamines. Although polyQ diseases are individually rare, the fact that these nine diseases are irreversibly progressive over 10 to 30 years, severely impairing and ultimately fatal, usually implicating the full-time patient support by a caregiver for long time periods, makes their economic and social impact quite significant. This has led several researchers worldwide to investigate the pathogenic mechanism(s) and therapeutic strategies for polyQ diseases. Although research in the field has grown notably in the last decades, we are still far from having an effective treatment to offer patients, and the decision of which compounds should be translated to the clinics may be very challenging. In this review, we provide a comprehensive and critical overview of the most recent drug discovery efforts in the field of polyQ diseases, including the most relevant findings emerging from two different types of approaches-hypothesis-based candidate molecule testing and hypothesis-free unbiased drug screenings. We hereby summarize and reflect on the preclinical studies as well as all the clinical trials performed to date, aiming to provide a useful framework for increasingly successful future drug discovery and development efforts.Project ON.2 SR&TD Integrated Program (NORTE-07-0124-FEDER-000021), co-funded by North Portugal Regional Operational Program (ON.2-O Novo Norte), under the National Strategic Reference Framework, through the European Regional Development Fund (ERDF) and also supported by Fundação para a Ciência e Tecnologia through the project POCI-01-0145-FEDER-016818 (PTDC/NEU-NMC/3648/2014)info:eu-repo/semantics/publishedVersio

Search for hidden-charm tetraquark with strangeness in e+e−→K+Ds∗−D∗0+c.c.e^{+}e^{-}\rightarrow K^+ D_{s}^{*-} D^{*0}+c.c.

We report a search for a heavier partner of the recently observed $Z_{cs}(3985)^{-}$ state, denoted as $Z_{cs}^{\prime -}$, in the process $e^{+} e^{-}\rightarrow K^{+}D_{s}^{*-}D^{* 0}+c.c.$, based on $e^+e^-$ collision data collected at the center-of-mass energies of $\sqrt{s}=4.661$, 4.682 and 4.699 GeV with the BESIII detector. The $Z_{cs}^{\prime -}$ is of interest as it is expected to be a candidate for a hidden-charm and open-strange tetraquark. A partial-reconstruction technique is used to isolate $K^+$ recoil-mass spectra, which are probed for a potential contribution from $Z_{cs}^{\prime -}\to D_{s}^{*-}D^{* 0}$ ($c.c.$). We find an excess of $Z_{cs}^{\prime -}\rightarrow D_{s}^{*-}D^{*0}$ ($c.c.$) candidates with a significance of $2.9\sigma$, after considering systematic uncertainties, at a mass of $(4123.5 \pm 0.7_{\mathrm{stat.}} \pm 1.1_{\mathrm{syst.}}) \mathrm{MeV}/c^{2}$. As the data set is limited in size, the upper limits are evaluated at the 90% confidence level on the product of the Born cross section and the branching fraction of $Z_{cs}^{\prime-}\rightarrow D_{s}^{*-}D^{* 0}$, $\sigma^{\rm Born}\cdot\mathcal{B}$ at the three energy points, under different assumptions of the $Z_{cs}^{\prime -}$ mass from 4.120 to 4.140 MeV and of the width from 10 to 50 MeV. Under various mass and width assumptions, the upper limits of $\sigma^{\rm Born}\cdot\mathcal{B}$ are found to lie in the range of $2\sim6$, $3\sim7$ and $3\sim6$ pb at $\sqrt{s}=4.661$, 4.682 and 4.699 GeV, respectively. The larger data samples that will be collected in the coming years will allow a clearer picture to emerge concerning the existence and nature of the $Z_{cs}^{\prime -}$ state.Comment: 17 pages, 7 figure

Production of doubly-charged Δ\Delta baryon in e+e−e^{+}e^{-} annihilation at energies from 2.3094 to 2.6464 GeV

The processes $e^{+}e^{-} \to \Delta^{++}\bar{\Delta}^{--}$ and $e^{+}e^{-}\to \Delta^{++} \bar{p} \pi^{-} + c.c.$ are studied for the first time with $179~{\rm pb}^{-1}$ of $e^{+}e^{-}$ annihilation data collected with the BESIII detector at center-of-mass energies from $2.3094$ GeV to $2.6464$ GeV. No significant signal for the $e^{+}e^{-}\to \Delta^{++}\bar{\Delta}^{--}$ process is observed and the upper limit of the Born cross section is estimated at each energy point. For the process $e^{+}e^{-} \to \Delta^{++} \bar{p} \pi^{-} + c.c.$, a significant signal is observed at center-of-mass energies near 2.6454 GeV and the corresponding Born cross section is reported.Comment: 10 pages, 4 figure

Observation of D+→KS0a0(980)+D^{+}\to K_{S}^{0}a_{0}(980)^{+} in the amplitude analysis of D+→KS0π+ηD^{+} \to K_{S}^{0}\pi^+\eta

We perform for the first time an amplitude analysis of the decay $D^{+}\to K_{S}^{0}\pi^+\eta$ and report the observation of the decay $D^{+}\to K_{S}^{0}a_{0}(980)^{+}$ using 2.93 fb$^{-1}$ of $e^+e^-$ collision data taken at a center-of-mass energy of 3.773 GeV with the BESIII detector. As the only W-annihilation free decay among $D$ to $a_{0}(980)$-pseudoscalar, $D^{+}\to K_{S}^{0}a_{0}(980)^{+}$ is the ideal decay to extract the contributions of the external and internal $W$-emission amplitudes involving $a_{0}(980)$ and study the final-state interactions. The absolute branching fraction of $D^{+}\to K_{S}^{0}\pi^+\eta$ is measured to be $(1.27\pm0.04_{\rm stat.}\pm0.03_{\rm syst.})\%$. The product branching fractions of $D^{+}\to K_{S}^{0}a_{0}(980)^{+}$ with $a_{0}(980)^{+}\to \pi^+\eta$ and $D^{+}\to \pi^+ K_0^*(1430)^0$ with $K_0^*(1430)^0\to K_{S}^{0}\eta$ are measured to be $(1.33\pm0.05_{\rm stat.}\pm0.04_{\rm syst.})\%$ and $(0.14\pm0.03_{\rm stat.}\pm0.01_{\rm syst.})\%$, respectively

Observation of the semileptonic decays D0→KS0π−π0e+νeD^0\rightarrow K_S^0\pi^-\pi^0 e^+ \nu_e and D+→KS0π+π−e+νeD^+\rightarrow K_S^0\pi^+\pi^- e^+ \nu_e

By analyzing $e^+e^-$ annihilation data corresponding to an integrated luminosity of 2.93 $\rm fb^{-1}$ collected at a center-of-mass energy of 3.773 GeV with the \text{BESIII} detector, the first observation of the semileptonic decays $D^0\rightarrow K_S^0\pi^-\pi^0 e^+ \nu_e$ and $D^+\rightarrow K_S^0\pi^+\pi^- e^+ \nu_e$ is reported. With a dominant hadronic contribution from $K_1(1270)$, the branching fractions are measured to be $\mathcal{B}(D^0\rightarrow {K}_1(1270)^-(\to K^0_S\pi^-\pi^0)e^+\nu_e)=(1.69^{+0.53}_{-0.46}\pm0.15)\times10^{-4}$ and $\mathcal{B}(D^+\to \bar{K}_1(1270)^0(\to K^0_S\pi^+\pi^-)e^+\nu_e)=(1.47^{+0.45}_{-0.40}\pm0.20)\times10^{-4}$ with statistical significance of 5.4$\sigma$ and 5.6$\sigma$, respectively. When combined with measurements of the $K_1(1270)\to K^+\pi^-\pi$ decays, the absolute branching fractions are determined to be $\mathcal{B}(D^0\to K_1(1270)^-e^+\nu_e)=(1.05^{+0.33}_{-0.28}\pm0.12\pm0.12)\times10^{-3}$ and $\mathcal{B}(D^+\to \bar{K}_1(1270)^0e^+\nu_e)=(1.29^{+0.40}_{-0.35}\pm0.18\pm0.15)\times10^{-3}$. The first and second uncertainties are statistical and systematic, respectively, and the third uncertainties originate from the assumed branching fractions of the $K_1(1270)\to K\pi\pi$ decays.Comment: 19page

Improved measurement of the decays η′→π+π−π+(0)π−(0)\eta' \to \pi^{+}\pi^{-}\pi^{+(0)}\pi^{-(0)} and search for the rare decay η′→4π0\eta' \to 4\pi^{0}

Using a sample of 10 billion $J/{\psi}$ events collected with the BESIII detector, the decays $\eta' \to \pi^{+}\pi^{-}\pi^{+}\pi^{-}$, $\eta' \to \pi^{+}\pi^{-}\pi^{0}\pi^{0}$ and $\eta' \to 4 \pi^{0}$ are studied via the process $J/{\psi}\to\gamma\eta'$. The branching fractions of $\eta' \to \pi^{+}\pi^{-}\pi^{+}\pi^{-}$ and $\eta' \to \pi^{+}\pi^{-}\pi^{0}$ $\pi^{0}$ are measured to be $( 8.56 \pm 0.25({\rm stat.}) \pm 0.23({\rm syst.}) ) \times {10^{ - 5}}$ and $(2.12 \pm 0.12({\rm stat.}) \pm 0.10({\rm syst.})) \times {10^{ - 4}}$, respectively, which are consistent with previous measurements but with improved precision. No significant $\eta' \to 4 \pi^{0}$ signal is observed, and the upper limit on the branching fraction of this decay is determined to be less than $1.24 \times {10^{-5}}$ at the $90\%$ confidence level. In addition, an amplitude analysis of $\eta' \to \pi^{+}\pi^{-}\pi^{+}\pi^{-}$ is performed to extract the doubly virtual isovector form factor $\alpha$ for the first time. The measured value of $\alpha=1.22 \pm 0.33({\rm stat.}) \pm 0.04({\rm syst.})$, is in agreement with the prediction of the VMD model

Measurement of branching fractions of Λc+\Lambda_{c}^{+} decays to Σ+K+K−\Sigma^{+} K^{+} K^{-}, Σ+ϕ\Sigma^{+}\phi and Σ+K+π−(π0)\Sigma^{+} K^{+} \pi^{-}(\pi^{0})

Based on 4.5 fb$^{-1}$ data taken at seven center-of-mass energies ranging from 4.600 to 4.699 GeV with the BESIII detector at the BEPCII collider, we measure the branching fractions of $\Lambda_{c}^{+}\rightarrow\Sigma^{+}+hadrons$ relative to $\Lambda_{c}^{+}\rightarrow \Sigma^+ \pi^+ \pi^-$. Combining with the world average branching fraction of $\Lambda_{c}^{+}\rightarrow \Sigma^+ \pi^+ \pi^-$, their branching fractions are measured to be $(0.377\pm0.042\pm0.018\pm0.021)\%$ for $\Lambda_{c}^{+}\rightarrow\Sigma^{+} K^{+} K^{-}$, $(0.200\pm0.023\pm0.010\pm0.011)\%$ for $\Lambda_{c}^{+}\rightarrow\Sigma^{+} K^{+} \pi^{-}$, $(0.414\pm0.080\pm0.029\pm0.023)\%$ for $\Lambda_{c}^{+}\rightarrow\Sigma^{+}\phi$ and $(0.197\pm0.036\pm0.008\pm0.011)\%$ for $\Lambda_{c}^{+}\rightarrow\Sigma^{+}K^{+} K^{-}$(non-$\phi$). In all the above results, the first uncertainties are statistical, the second are systematic and the third are from external input of the branching fraction of $\Lambda_{c}^{+}\rightarrow \Sigma^+ \pi^+ \pi^-$. Since no signal for $\Lambda_{c}^{+}\rightarrow\Sigma^{+} K^{+} \pi^{-}\pi^{0}$ is observed, the upper limit of its branching fraction is determined to be 0.11\% at the 90$\%$ confidence level