Center for Excellence in Basic Sciences

Hydrogen generation through photocatalytic water splitting with the aid of renewable solar energy is an important step toward the development of sustainable and alternative energy. In the present study, using the first-principles calculations, we have explored the s-triazine based two-dimensional porous graphitic carbon nitride (g-CN) materials as a potential photocatalyst for water splitting. For calculating the band structures more accurately, we have employed hybrid density functionals. The calculated band gap of the single layer g-CN is found to be 2.89 eV, which decreases to ∼2.75 eV in multilayered structure. To improve the visible light activity, the effect of doping with different nonmetals on the electronic structure has been investigated. Among the different dopants studied, phosphorus is found to be more effective to reduce the band gap to 2.31 eV. The band edge potentials obtained from density functional calculations are corrected for vacuum potentials. The band alignments with respect to the water redox levels show that the thermodynamic criterion for the overall water splitting is satisfied. We have also carried out analogous studies on the heptazine based carbon nitride, g-C3N4, and the calculated band gaps, as well as the position of the valence band maximum, are consistent with the reported experimental results validating the computational method we have used. Based on our theoretical investigations, we can predict that the s-triazine based carbon nitride materials should be a potential photocatalyst for water splitting under visible light.

Mersacidin is a new peptide antibiotic of the proposed lantibiotic family. It is active in vitro and in vivo against Gram-positive bacteria including the methicillin-resistant Staphylococci. Its in vitro activity is less than those of vancomycin and erythromycin but it shows much higher activity in the in vivo system than can be expected from the in vitro testing results. A water soluble potassium salt has been prepared which has an activity profile similar to that of mersacidin, but has better in vivo activity against Streptococcus pyogenes than the parent compound.

We study the slow quenching dynamics (characterized by an inverse rate ${\ensuremath{\tau}}^{\ensuremath{-}1}$) of a one-dimensional transverse Ising chain with nearest neighbor ferromagentic interactions across the quantum critical point (QCP) and analyze the Loschmidt overlap measured using the subsequent temporal evolution of the final wave function (reached at the end of the quenching) with the final time-independent Hamiltonian. Studying the Fisher zeros of the corresponding generalized ``partition function,'' we probe nonanalyticities manifested in the rate function of the return probability known as dynamical phase transitions (DPTs). In contrast to the sudden quenching case, we show that DPTs survive in the subsequent temporal evolution following the quenching across two critical points of the model for a sufficiently slow rate; furthermore, an interesting ``lobe'' structure of Fisher zeros emerge. We have also made a connection to topological aspects studying the dynamical topological order parameter $[{\ensuremath{\nu}}_{D}(t)]$ as a function of time $(t)$ measured from the instant when the quenching is complete. Remarkably, the time evolution of ${\ensuremath{\nu}}_{D}(t)$ exhibits drastically different behavior following quenches across a single QCP and two QCPs. In the former case, ${\ensuremath{\nu}}_{D}(t)$ increases stepwise by unity at every DPT (i.e., $\mathrm{\ensuremath{\Delta}}{\ensuremath{\nu}}_{D}=1$). In the latter case, on the other hand, ${\ensuremath{\nu}}_{D}(t)$ essentially oscillates between 0 and 1 (i.e., successive DPTs occur with $\mathrm{\ensuremath{\Delta}}{\ensuremath{\nu}}_{D}=1$ and $\mathrm{\ensuremath{\Delta}}{\ensuremath{\nu}}_{D}=\ensuremath{-}1$, respectively), except for instants where it shows a sudden jump by a factor of unity when two successive DPTs carry a topological charge of the same sign.

A pair of transverse wobbling bands is observed in the nucleus ^{135}Pr. The wobbling is characterized by ΔI=1, E2 transitions between the bands, and a decrease in the wobbling energy confirms its transverse nature. Additionally, a transition from transverse wobbling to a three-quasiparticle band comprised of strong magnetic dipole transitions is observed. These observations conform well to results from calculations with the tilted axis cranking model and the quasiparticle rotor model.

Pseudospin, an additional degree of freedom emerging in graphene as a direct consequence of its honeycomb atomic structure, is responsible for many of the exceptional electronic properties found in this material. This paper is devoted to providing a clear understanding of how graphene's pseudospin impacts the quasiparticle interferences of monolayer (ML) and bilayer (BL) graphene measured by low-temperature scanning tunneling microscopy and spectroscopy. We have used this technique to map, with very high energy and space resolution, the spatial modulations of the local density of states of ML and BL graphene epitaxially grown on SiC(0001), in presence of native disorder. We perform a Fourier transform analysis of such modulations including wave vectors up to unit vectors of the reciprocal lattice. Our data demonstrate that the quasiparticle interferences associated to some particular scattering processes are suppressed in ML graphene, but not in BL graphene. Most importantly, interferences with $2{q}_{F}$ wave vector associated to intravalley backscattering are not measured in ML graphene, even on the images with highest resolution where the graphene honeycomb pattern is clearly resolved. In order to clarify the role of the pseudospin on the quasiparticle interferences, we use a simple model which nicely captures the main features observed in our data. The model unambiguously shows that graphene's pseudospin is responsible for such suppression of quasiparticle interference features in ML graphene, in particular for those with $2{q}_{F}$ wave vector. It also confirms scanning tunneling microscopy as a unique technique to probe the pseudospin in graphene samples in real space with nanometer precision. Finally, we show that such observations are robust with energy and obtain with great accuracy the dispersion of the $\ensuremath{\pi}$ bands for both ML and BL graphene in the vicinity of the Fermi level, extracting their main tight-binding parameters.

Many diseases heal spontaneously. The common cold, for example, remedies itself within a few days in people with an uncompromised immune system. If a disease with a poor prognosis heals in the absence of a targeted therapeutic, many even call it a miracle cure. Such is the case with the spontaneous regression (SR) of malignant neoplasms, a rare but well-documented phenomenon that finds its first mention in the Ebers Papyrus of 1550 BCE. Given the challenges associated with current cancer treatment modalities such as rapidly evolving drug resistance mechanisms, dose-limiting side effects, and a failure to completely eliminate cancer cells, knowledge of how a tumour heals itself would be immensely helpful in developing more effective therapeutic modalities. Although the intricate mechanisms of SR have yet to be fully elucidated, it has been shown that infection-mediated immune system activation, biopsy procedures, and disruptions of the tumour microenvironment play pivotal roles in the self-healing of many tumours. Bacterial and viral infections are especially well-documented in instances of SR. Insights from these findings are paving the way for novel therapeutic strategies. Inspired by bacteria-mediated SR, Bacillus Calmette-Guérin (BCG) has been used as an approved treatment option for non-muscle-invasive bladder cancer (NMIBC). Similarly, Talimogene laherparepvec (T-VEC), the first engineered oncolytic herpes simplex virus (HSV), has been approved by the United States Food and Drug Administration for the treatment of some forms of advanced melanoma. Here we describe the current understanding of SR, explore its therapeutic significance, and offer perspectives on its future.

We report for the very first time the discovery of amyloid-like self-assemblies formed by the nonaromatic single amino acids cysteine (Cys) and methionine (Met) under neutral aqueous conditions. The structure formation was assessed and characterized by various microscopic and spectroscopic techniques such as optical microscopy, phase contrast microscopy, scanning electron microscopy, and transmission electron microscopy. The mechanism of self-assembly and the role of hydrogen bonding and thiol interactions of Cys and Met were assessed by Fourier transform infrared spectroscopy, thermogravimetric analysis, X-ray diffraction, and solid state NMR along with various control experiments. In addition, molecular dynamics simulations were carried out to gain insight into assembly initiation. Further, Thioflavin T and Congo red binding assays with Cys and Met structures indicated that these single amino acid assemblies may have amyloid-like characteristics. To understand the biological significance of the Cys and Met structures, cytotoxicity assays of the assemblies were performed on human neuroblastoma IMR-32 cells and monkey kidney cells (COS-7). The results revealed that both Cys and Met fibers were cytotoxic. The cell viability assay further supported the hypothesis that aggregation of single amino acid may contribute to the etiology of metabolic disorders like cystinuria and hypermethioninemia. The results presented in this study are striking, and to the best of our knowledge this is the first report which demonstrates that nonaromatic amino acids like Cys and Met can undergo spontaneous self-assembly to form amyloidogenic aggregates. The results presented are also consistent with the established generic amyloid hypothesis and support a new paradigm for the study of the etiology of single amino acid initiated metabolic disorders in amyloid related diseases.

We have studied here using a number of biophysical tools the effects of osmolytes, betaine, citrulline, proline and sorbitol which differ significantly in terms of their physical characteristics such as, charge distribution, polarity, H-bonding abilities etc, on the fibrillation of insulin. Among these, betaine, citrulline, and proline are very effective in decreasing the extent of fibrillation. Proline also causes a substantial delay in the onset of fibrillation in the concentration range (50-250 mM) whereas such an effect is seen for citrulline only at 250 mM, and in case of betaine this effect is not seen at all in the whole concentration range. The enthalpies of interaction at various stages of fibrillation process have suggested that the preferential exclusion of the osmolyte and its polar interaction with the protein are important in inhibition. The results indicate that the osmolytes are most effective when added prior to the elongation stage of fibrillation. These observations have significant biological implications, since insulin fibrillation is known to cause injection amyloidosis and our data may help in designing lead drug molecules and development of potential therapeutic strategies.

Abstract Water contamination is a global challenge impacting both the environment and human health with significant economic and social costs. The growing scarcity of usable water resources requires effective treatment of wastewater. In this context, developing cheaper, safer and more efficient wastewater treatment technologies are the need of the hour. One promising approach that several studies have reported success has been the usage of nanomaterials in water and waste water management. The rapid progress of research in nanomaterial sciences has shown their growing potential; however, there has not been a great amount of information available on their implementation. This review focuses on developments in nanotechnology that hold strong potential for wastewater treatment. The review covers key techniques in nanomaterial‐based water treatments including adsorption, filtration and photocatalysis with recent examples showing how to improve their properties and efficiencies according to the need.

Most III-nitride semiconductors are grown on non-lattice-matched substrates like sapphire or silicon due to the extreme difficulty of obtaining a native GaN substrate. We show that several layered transition-metal dichalcogenides are closely lattice-matched to GaN and report the growth of GaN on a range of such layered materials. We report detailed studies of the growth of GaN on mechanically-exfoliated flakes WS2 and MoS2 by metalorganic vapour phase epitaxy. Structural and optical characterization show that strain-free, single-crystal islands of GaN are obtained on the underlying chalcogenide flakes. We obtain strong near-band-edge emission from these layers, and analyse their temperature-dependent photoluminescence properties. We also report a proof-of-concept demonstration of large-area growth of GaN on CVD MoS2. Our results show that the transition-metal dichalcogenides can serve as novel near-lattice-matched substrates for nitride growth.

The script of the ancient Indus civilization remains undeciphered. The hypothesis that the script encodes language has recently been questioned. Here, we present evidence for the linguistic hypothesis by showing that the script's conditional entropy is closer to those of natural languages than various types of nonlinguistic systems.

In this study, antibacterial and antibiofilm potential of sulphated polysaccharides (SPs) extracted from Chlamydomonas reinhardtii (Cr) was evaluated against Neisseria mucosa, Escherichia coli, Streptococcus sp. and Bacillus subtilis. Antibacterial potential of Cr‐SPs was evaluated by agar‐cup diffusion, time‐kill and colony‐forming ability (CFU), minimum inhibitory and bactericidal concentration assays. Antibiofilm potential was evaluated by biofilm inhibition, eradication, extracellular‐DNA, metabolic activity and microscopy assays. Cr‐SPs at 0·5 mg ml−1 showed 34·52, 48·6, 66·1 and 55·6% reduced CFU in B. subtilis, Streptococcus, N. mucosa and E. coli respectively. Minimum inhibitory concentration of Cr‐SPs was as low as 480 μg ml−1 for Streptococcus, N. mucosa and 420 μg ml−1 for B. subtilis and E. coli. At 1 mg ml−1, Cr‐SPs showed 50% biofilm inhibition, whereas 4–8 mg ml−1 showed 100% inhibition. Cr‐SPs also effectively dissolved preformed biofilms. Dose‐dependent reduction in extracellular DNA revealed that Cr‐SPs interacts with the extra polymeric substance of the biofilm and destroys them. Light microscopy reconfirmed the above results. Cr‐SPs not only inhibited biofilm formation but also effectively dissolved preformed‐biofilms. The current study showed the promising potential of Cr‐SPs as antibiofilm agents. Further validation will help in developing Cr‐SPs as natural antibiotics against biofilm‐causing bacteria.

Abstract We present the results of our power spectral density analysis for the BL Lac object OJ 287, utilizing the Fermi -LAT survey at high-energy γ -rays, Swift -XRT in X-rays, several ground-based telescopes and the Kepler satellite in the optical, and radio telescopes at GHz frequencies. The light curves are modeled in terms of continuous-time autoregressive moving average (CARMA) processes. Owing to the inclusion of the Kepler data, we were able to construct for the first time the optical variability power spectrum of a blazar without any gaps across ∼6 dex in temporal frequencies. Our analysis reveals that the radio power spectra are of a colored-noise type on timescales ranging from tens of years down to months, with no evidence for breaks or other spectral features. The overall optical power spectrum is also consistent with a colored noise on the variability timescales ranging from 117 years down to hours, with no hints of any quasi-periodic oscillations. The X-ray power spectrum resembles the radio and optical power spectra on the analogous timescales ranging from tens of years down to months. Finally, the γ -ray power spectrum is noticeably different from the radio, optical, and X-ray power spectra of the source: we have detected a characteristic relaxation timescale in the Fermi -LAT data, corresponding to ∼150 days, such that on timescales longer than this, the power spectrum is consistent with uncorrelated (white) noise, while on shorter variability timescales there is correlated (colored) noise.

Abstract The flat-spectrum radio quasar CTA 102 experienced a prolonged state of enhanced activity across the entire observed electromagnetic spectrum during 2016–2017, most pronounced during a major outburst between 2016 December and 2017 May. Fermi -LAT observed a flux of (2.2 ± 0.2) × 10 −5 photons cm −2 s −1 at energies above 100 MeV on 2017 April 19 during a single orbit. We report here the detection of significant (4.7 σ ) flux variations down to timescales of ∼5 minutes during this orbit. The measured variability timescale is much shorter than the light-travel time across the central black hole (∼70 minutes) indicating a very compact emission region within the jet, similar to that seen in IC 310, Mrk 501, or PKS 1222+21 from MAGIC observations. This short-timescale variability is unexpected since the γ -ray spectrum shows no sign of attenuation due to pair creation in interactions with photons from the broad emission line region, and therefore must be assumed to originate far from the black hole. The observed fast variability could either indicate the dissipation of magnetic islands or protons in a collimated beam from the base of the jet encountering the turbulent plasma at the end of the magnetic nozzle.

Depression significantly affects interpersonal functioning. Social avoidance may play an important role in depression, limiting opportunities and social skills acquisition, contributing to the maintenance of social difficulties. In the last few years, the need for studying social interactions using interactive tasks has been highlighted. This study investigated social avoidance in unmedicated depressed (n = 26) and matched healthy control (n = 26) participants, using a novel computerized social decision-making task (the TEAM task). In this task, participants choose between a social option (playing in a team with a coplayer) and an individual option (playing alone). Although the social option is more profitable from a material point of view, it can also be challenging because of social comparison and guilt feelings for failing the team. It was found that the higher the rank of the coplayer, the stronger the negative emotions (shame, guilt) reported by participants and the more they opted for the individual option. Depressed participants reported significantly less positive (happiness) and more negative (shame, guilt, disappointment) feelings regarding the task. Importantly, depressed participants chose the individual option significantly more often than controls, which led to lower gains in this group. Furthermore, as the task progressed, controls selected the individual option less often, whereas depressed participants selected the individual option more often. Our findings illustrate the importance of social avoidance in depression and how this behavior can lead to negative consequences. They also highlight the role of social comparison and guilt-related processes in underlying social avoidance in depression. (PsycINFO Database Record (c) 2019 APA, all rights reserved).

Radio galaxy phenomenon is directly connected to mass accreting, spinning supermassive black holes found in the active galactic nuclei (AGN). It is still unclear how the collimated jets of relativistic plasma on hundreds to thousands of kpc scale form, and why nearly always they are launched from the nuclei of bulge dominated elliptical galaxies and not flat spirals. Here we present the discovery of giant radio source J2345-0449 (z=0.0755), a clear and extremely rare counter example where relativistic jets are ejected from a luminous and massive spiral galaxy on scale of ~1.6 Mpc, the largest known so far. Extreme physical properties observed for this bulgeless spiral host, such as its high optical and infra-red luminosity, large dynamical mass, rapid disk rotation, and episodic jet activity are possibly the results of its unusual formation history, which has also assembled, via gas accretion from a disk, its central black hole of mass >2 x 10^8 M_sun. The very high mid-IR luminosity of the galaxy suggests that it is actively forming stars and still building a massive disk. We argue that the launch of these powerful jets is facilitated by an advection dominated, magnetized accretion flow at low Eddington rate onto this unusually massive (for a bulgeless disk galaxy) and possibly fast-spinning central black hole. Therefore, J2345-0449 is an extremely rare, unusual galactic system whose properties challenge the standard paradigms for black hole growth and formation of relativistic jets in disk galaxies. Thus, it provides fundamental insight into accretion disk -- relativistic jet coupling processes.

ABSTRACT We present the timing and spectral studies of RX J0209.6–7427 during its rare 2019 outburst using observations with the Soft X-ray Telescope (SXT) and Large Area X-ray Proportional Counter (LAXPC) instruments on the AstroSat satellite. Pulsations having a periodicity of 9.29 s were detected for the first time by the NICER mission in the 0.2–10 keV energy band and, as reported here, by AstroSat over a broad energy band covering 0.3–80 keV. The pulsar exhibits a rapid spin-up during the outburst. Energy resolved folded pulse profiles are generated in several energy bands in 3–80 keV. To the best of our knowledge this is the first report of the timing and spectral characteristics of this Be binary pulsar in hard X-rays. There is suggestion of evolution of the pulse profile with energy. The energy spectrum of the pulsar is determined and from the best-fitting spectral values, the X-ray luminosity of RX J0209.6−7427 is inferred to be 1.6 × 1039 erg s−1. Our timing and spectral studies suggest that this source has features of an ultraluminous X-ray pulsar in the Magellanic Bridge. Details of the results are presented and discussed in terms of the current ideas.

Eukaryotic microalgae serve as indicators of environmental change when exposed to severe seasonal fluctuations. Several environmental stress conditions are known to produce reactive oxygen species in cellular compartments, resulting in oxidative damage and apoptosis. The study of cell death in higher plants and animals has revealed the existence of an active 'programmed cell death' (PCD) process and similarities between such processes suggest an evolutionary origin. A study was undertaken to examine the morphological, biochemical and molecular responses of the unicellular green alga Chlamydomonas reinhardtii after exposure to oxidative (10 mM H2O2) and osmotic (200 mM NaCl and 360 mM sorbitol) stress. Concentrations of H2O2 (2–50 mM), NaCl and sorbitol (100–800 mM) were negatively correlated with growth. Biochemical analyses showed an increase in intracellular H2O2 production (2.2-fold with H2O2 and ~1.2–1.4-fold with NaCl and sorbitol) and activities of some antioxidant enzymes [super oxide dismutase (SOD), catalase (CAT) and ascorbate peroxidase (APX)]. Alteration of mitochondrial membrane potential (MMP) was observed upon treatment with H2O2 and NaCl, but not with sorbitol, indicating that the ionic stress component of NaCl altered the MMP. In addition, H2O2 led to the activation of a caspase-3-like protein, increase in the cleavage of a poly(ADP) ribose polymerase-1 (PARP-1)-like enzyme and formation of DNA nicks and laddering. With NaCl and sorbitol, no caspase activation, nor oligonucleosomal DNA laddering was observed, indicating non-apoptotic death. However, genomic DNA of NaCl (800 mM)-stressed cells, but not those of sorbitol-treated cells showed complete shearing. We conclude that the ionic rather than the osmotic component of NaCl leads to necrosis. These results unequivocally suggest that the vegetative cells of C. reinhardtii respond differentially to various stress agents, leading to different death types in the same organism. Moreover, unlike most other organisms, when exposed to NaCl this alga does not undergo PCD.

We study an integrable spin chain with three spin interactions and the staggered field $(\ensuremath{\lambda})$ while the latter is quenched either slowly [in a linear fashion in time $(t)$ as $t/\ensuremath{\tau}$, where $t$ goes from a large negative value to a large positive value and $\ensuremath{\tau}$ is the inverse rate of quenching] or suddenly. In the process, the system crosses quantum critical points and gapless phases. We address the question whether there exist nonanalyticities [known as dynamical phase transitions (DPTs)] in the subsequent real-time evolution of the state (reached following the quench) governed by the final time-independent Hamiltonian. In the case of sufficiently slow quenching (when $\ensuremath{\tau}$ exceeds a critical value ${\ensuremath{\tau}}_{1})$, we show that DPTs, of the form similar to those occurring for quenching across an isolated critical point, can occur even when the system is slowly driven across more than one critical point and gapless phases. More interestingly, in the anisotropic situation we show that DPTs can completely disappear for some values of the anisotropy term $(\ensuremath{\gamma})$ and $\ensuremath{\tau}$, thereby establishing the existence of boundaries in the $(\ensuremath{\gamma}\text{\ensuremath{-}}\ensuremath{\tau})$ plane between the DPT and no-DPT regions in both isotropic and anisotropic cases. Our study therefore leads to a unique situation when DPTs may not occur even when an integrable model is slowly ramped across a QCP. On the other hand, considering sudden quenches from an initial value ${\ensuremath{\lambda}}_{i}$ to a final value ${\ensuremath{\lambda}}_{f}$, we show that the condition for the presence of DPTs is governed by relations involving ${\ensuremath{\lambda}}_{i},{\ensuremath{\lambda}}_{f}$, and $\ensuremath{\gamma}$, and the spin chain must be swept across $\ensuremath{\lambda}=0$ for DPTs to occur.

Modified gravity theories can introduce modifications to the Poisson equation in the Newtonian limit. As a result, we expect to see interesting features of these modifications inside stellar objects. White dwarf stars are one of the most well studied stars in stellar astrophysics. We explore the effect of modified gravity theories inside white dwarfs. We derive the modified stellar structure equations and solve them to study the mass-radius relationships for various modified gravity theories. We also constrain the parameter space of these theories from observations.