scispace - formally typeset
Search or ask a question

Showing papers by "Indian Institute of Science published in 2014"


Journal ArticleDOI
TL;DR: This paper presents a meta-analyses of the proton-probes of Na6(SO4)2, Na4, and Na4 of the nucleus of the H2O2 molecule and shows clear patterns in the response of these two mechanisms to each other.
Abstract: Benjamin H. Rotstein,†,‡ Serge Zaretsky,† Vishal Rai,†,§ and Andrei K. Yudin*,† †Davenport Research Laboratories, Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario Canada, M5S 3H6 ‡Division of Nuclear Medicine and Molecular Imaging, Massachusetts General Hospital, and Department of Radiology, Harvard Medical School, 55 Fruit Street, Boston, Massachusetts 02114, United States Department of Chemistry, Indian Institute of Science Education and Research (IISER) Bhopal, Indore By-pass Road, Bhauri, Bhopal 462 066, MP India

700 citations


Journal ArticleDOI
TL;DR: Examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond are illustrated and the similarities and differences between halogen bonds and hydrogen bonds are commented on.
Abstract: CONSPECTUS: The halogen bond is an attractive interaction in which an electrophilic halogen atom approaches a negatively polarized species. Short halogen atom contacts in crystals have been known for around 50 years. Such contacts are found in two varieties: type I, which is symmetrical, and type II, which is bent. Both are influenced by geometric and chemical considerations. Our research group has been using halogen atom interactions as design elements in crystal engineering, for nearly 30 years. These interactions include halogen center dot center dot center dot halogen interactions (X center dot center dot center dot X) and halogen center dot center dot center dot heteroatom interactions (X center dot center dot center dot B). Many X center dot center dot center dot X and almost all X center dot center dot center dot B contacts can be classified as halogen bonds. In this Account, we illustrate examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond. We also comment on the similarities and differences between halogen bonds and hydrogen bonds. These interactions are similar because the protagonist atoms halogen and hydrogen are both electrophilic in nature. The interactions are distinctive because the size of a halogen atom is of consequence when compared with the atomic sizes of, for example, C, N, and O, unlike that of a hydrogen atom. Conclusions may be drawn pertaining to the nature of X center dot center dot center dot X interactions from the Cambridge Structural Database (CSD). There is a clear geometric and chemical distinction between type I and type II, with only type II being halogen bonds. Cl/Br isostructurality is explained based on a geometric model. In parallel, experimental studies on 3,4-dichlorophenol and its congeners shed light on the nature of halogen center dot center dot center dot halogen interactions and reveal the chemical difference between Cl and Br. Variable temperature studies also show differences between type I and type II contacts. In terms of crystal design, halogen bonds offer a unique opportunity in the strength, atom size and interaction gradation; this may be used in the design of ternary cocrystals. Structural modularity in which an entire crystal structure is defined as a combination of modules is rationalized on the basis of the intermediate strength of a halogen bond. The specific directionality of the halogen bond makes it a good tool to achieve orthogonality in molecular crystals. Mechanical properties can be tuned systematically by varying these orthogonally oriented halogen center dot center dot center dot halogen interactions. In a further development, halogen bonds are shown to play a systematic role in organization of LSAMs (long range synthon aufbau module), which are bigger structural units containing multiple synthons. With a formal definition in place, this may be the right time to look at differences between halogen bonds and hydrogen bonds and exploit them in more subtle ways in crystal engineering.

678 citations


Journal ArticleDOI
TL;DR: Rare-metal-free Na-ion rechargeable battery system compatible with the present Li-ion battery is now in realistic scope without sacrificing high energy density and high power, and paves way for discovery of new earth-abundant sustainable cathodes for large-scale batteries.
Abstract: Rechargeable lithium batteries have ushered the wireless revolution over last two decades and are now matured to enable green automobiles. However, the growing concern on scarcity and large-scale applications of lithium resources have steered effort to realize sustainable sodium-ion batteries, Na and Fe being abundant and low-cost charge carrier and redox centre, respectively. However, their performance is limited owing to low operating voltage and sluggish kinetics. Here we report a hitherto-unknown material with entirely new composition and structure with the first alluaudite-type sulphate framework, Na2Fe2(SO4)(3), registering the highest-ever Fe3+/ Fe2+ redox potential at 3.8V (versus Na, and hence 4.1V versus Li) along with fast rate kinetics. Rare-metal-free Na-ion rechargeable battery system compatible with the present Li-ion battery is now in realistic scope without sacrificing high energy density and high power, and paves way for discovery of new earth-abundant sustainable cathodes for large-scale batteries.

643 citations


Journal ArticleDOI
TL;DR: Reusability, ease of magnetic separation, high removal efficiency, high surface area, and fast kinetics make these nanohybrids very attractive candidates for low-cost adsorbents for the effective coremoval of heavy metals from contaminated water.
Abstract: We show that the hybrids of single-layer graphene oxide with manganese ferrite magnetic nanoparticles have the best adsorption properties for efficient removal of Pb(II), As(III), and As(V) from contaminated water. The nanohybrids prepared by coprecipitation technique were characterized using atomic force and scanning electron microscopies, Fourier transformed infrared spectroscopy, Raman spectroscopy, X-ray diffraction, and surface area measurements. Magnetic character of the nanohybrids was ascertained by a vibrating sample magnetometer. Batch experiments were carried out to quantify the adsorption kinetics and adsorption capacities of the nanohybrids and compared with the bare nanoparticles of MnFe2O4. The adsorption data from our experiments fit the Langmuir isotherm, yielding the maximum adsorption capacity higher than the reported values so far. Temperature-dependent adsorption studies have been done to estimate the free energy and enthalpy of adsorption. Reusability, ease of magnetic separation, high removal efficiency, high surface area, and fast kinetics make these nanohybrids very attractive candidates for low-cost adsorbents for the effective coremoval of heavy metals from contaminated water.

483 citations


Journal ArticleDOI
TL;DR: This work reports comprehensive studies on the pressure-dependent electronic, vibrational, optical and structural properties of multilayered molybdenum disulphide up to 35 GPa and reveals a structural lattice distortion followed by an electronic transition from a semiconducting to metallic state.
Abstract: Molybdenum disulphide is a layered transition metal dichalcogenide that has recently raised considerable interest due to its unique semiconducting and opto-electronic properties. Although several theoretical studies have suggested an electronic phase transition in molybdenum disulphide, there has been a lack of experimental evidence. Here we report comprehensive studies on the pressure-dependent electronic, vibrational, optical and structural properties of multilayered molybdenum disulphide up to 35 GPa. Our experimental results reveal a structural lattice distortion followed by an electronic transition from a semiconducting to metallic state at B19 GPa, which is confirmed by ab initio calculations. The metallization arises from the overlap of the valance and conduction bands owing to sulphur–sulphur interactions as the interlayer spacing reduces. The electronic transition affords modulation of the opto-electronic gain in molybdenum disulphide. This pressuretuned behaviour can enable the development of novel devices with multiple phenomena involving the strong coupling of the mechanical, electrical and optical properties of layered nanomaterials.

475 citations


Journal ArticleDOI
TL;DR: For the first time MOF based selective explosive detection in the presence of other nitro analytes in aqueous media is demonstrated.

452 citations


Journal ArticleDOI
TL;DR: This 3D metal-organic framework (MOF) with acid-base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed.
Abstract: The development of solid-state proton-conducting materials with high conductivity that operate under both anhydrous and humidified conditions is currently of great interest in fuel-cell technology. A 3D metal–organic framework (MOF) with acid–base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed. The anhydrous proton conductivity for this MOF is among the highest values that have been reported for MOF materials, whereas its water-assisted proton conductivity is comparable to that of the organic polymer Nafion, which is currently used for practical applications. Unlike other MOFs, which conduct protons either under anhydrous or humid conditions, this compound should represent a considerable advance in the development of efficient solid-state proton-conducting materials that work under both anhydrous and humid conditions.

352 citations


Journal ArticleDOI
TL;DR: In this article, the present status of various aspects of this important class of materials is discussed and a review of the recent literature on this subject citing all the major references is provided.

347 citations


Journal ArticleDOI
TL;DR: In this article, a review of the materials aspects of CdTe/CdS solar cells for solar energy conversion is presented, focusing on fundamental and critical aspects like: (a) choice of window layer and absorber layer; (b) drawbacks associated with the device including environmental problems, optical absorption losses and back contact barriers; (c) structural dynamics at CdS-CdTe interface; (d) influence of junction activation process by CdCl2 or HCF2Cl treatment; (e) interface and grain boundary passivation effects; (f
Abstract: Among the armoury of photovoltaic materials, thin film heterojunction photovoltaics continue to be a promising candidate for solar energy conversion delivering a vast scope in terms of device design and fabrication. Their production does not require expensive semiconductor substrates and high temperature device processing, which allows reduced cost per unit area while maintaining reasonable efficiency. In this regard, superstrate CdTe/CdS solar cells are extensively investigated because of their suitable bandgap alignments, cost effective methods of production at large scales and stability against proton/electron irradiation. The conversion efficiencies in the range of 6–20% are achieved by structuring the device by varying the absorber/window layer thickness, junction activation/annealing steps, with more suitable front/back contacts, preparation techniques, doping with foreign ions, etc. This review focuses on fundamental and critical aspects like: (a) choice of CdS window layer and CdTe absorber layer; (b) drawbacks associated with the device including environmental problems, optical absorption losses and back contact barriers; (c) structural dynamics at CdS–CdTe interface; (d) influence of junction activation process by CdCl2 or HCF2Cl treatment; (e) interface and grain boundary passivation effects; (f) device degradation due to impurity diffusion and stress; (g) fabrication with suitable front and back contacts; (h) chemical processes occurring at various interfaces; (i) strategies and modifications developed to improve their efficiency. The complexity involved in understanding the multiple aspects of tuning the solar cell efficiency is reviewed in detail by considering the individual contribution from each component of the device. It is expected that this review article will enrich the materials aspects of CdTe/CdS devices for solar energy conversion and stimulate further innovative research interest on this intriguing topic.

333 citations


Journal ArticleDOI
TL;DR: Three new electron-rich metal-organic frameworks synthesized by employing ligands bearing aromatic tags have been successfully utilized for the detection of explosive nitroaromatic compounds (NACs) on the basis of fluorescence quenching.
Abstract: Three new electron-rich metal-organic frameworks (MOF-1-MOF-3) have been synthesized by employing ligands bearing aromatic tags. The key role of the chosen aromatic tags is to enhance the -electron density of the luminescent MOFs. Single-crystal X-ray structures have revealed that these MOFs form three-dimensional porous networks with the aromatic tags projecting inwardly into the pores. These highly luminescent electron-rich MOFs have been successfully utilized for the detection of explosive nitroaromatic compounds (NACs) on the basis of fluorescence quenching. Although all of the prepared MOFs can serve as sensors for NACs, MOF-1 and MOF-2 exhibit superior sensitivity towards 4-nitrotoluene (4-NT) and 2,4-dinitrotoluene (DNT) compared to 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitrobenzene (TNB). MOF-3, on the other hand, shows an order of sensitivity in accordance with the electron deficiencies of the substrates. To understand such anomalous behavior, we have thoroughly analyzed both the steady-state and time-resolved fluorescence quenching associated with these interactions. Determination of static Stern-Volmer constants (K-S) as well as collisional constants (K-C) has revealed that MOF-1 and MOF-2 have higher K-S values with 4-NT than with TNT, whereas for MOF-3 the reverse order is observed. This apparently anomalous phenomenon was well corroborated by theoretical calculations. Moreover, recyclability and sensitivity studies have revealed that these MOFs can be reused several times and that their sensitivities towards TNT solution are at the parts per billion (ppb) level.

305 citations


Journal ArticleDOI
TL;DR: It is shown that V2O5 nanowires (Vn) functionally mimic the antioxidant enzyme glutathione peroxidase by using cellular glutathion, thus providing an important cytoprotection for biomolecules against harmful oxidative damage.
Abstract: Nanomaterials with enzyme-like properties has attracted significant interest, although limited information is available on their biological activities in cells. Here we show that V2O5 nanowires (Vn) functionally mimic the antioxidant enzyme glutathione peroxidase by using cellular glutathione. Although bulk V2O5 is known to be toxic to the cells, the property is altered when converted into a nanomaterial form. The Vn nanozymes readily internalize into mammalian cells of multiple origin (kidney, neuronal, prostate, cervical) and exhibit robust enzyme-like activity by scavenging the reactive oxygen species when challenged against intrinsic and extrinsic oxidative stress. The Vn nanozymes fully restore the redox balance without perturbing the cellular antioxidant defense, thus providing an important cytoprotection for biomolecules against harmful oxidative damage. Based on our findings, we envision that biocompatible Vn nanowires can provide future therapeutic potential to prevent ageing, cardiac disorders and several neurological conditions, including Parkinson's and Alzheimer's disease.

Journal ArticleDOI
TL;DR: In this paper, the authors proposed guidance laws to intercept targets at a desired impact angle, from any initial heading angle, without exhibiting any singularity, by selecting interceptor's lateral acceleration to enforce nonsingular terminal sliding mode on a switching surface designed using nonlinear engagement dynamics.
Abstract: Guidance laws based on a conventional sliding mode ensures only asymptotic convergence. However, convergence to the desired impact angle within a finite time is important in most practical guidance applications. These finite time convergent guidance laws suffer from singularity leading to control saturation. In this paper, guidance laws to intercept targets at a desired impact angle, from any initial heading angle, without exhibiting any singularity, are presented. The desired impact angle, which is defined in terms of a desired line-of-sight angle, is achieved in finite time by selecting the interceptor's lateral acceleration to enforce nonsingular terminal sliding mode on a switching surface designed using nonlinear engagement dynamics. Numerical simulation results are presented to validate the proposed guidance laws for different initial engagement geometries and impact angles. Although the guidance laws are designed for constant speed interceptors, its robustness against the time-varying speed of interceptors is also evaluated through extensive simulation results.

Journal ArticleDOI
21 Mar 2014-PLOS ONE
TL;DR: A range of currently available spatial early warning signals are summarized, potential null models to interpret their trends are suggested, and a statistical toolbox that may be used to help detect approaching transitions in a wide range of spatial data is proposed.
Abstract: A number of ecosystems can exhibit abrupt shifts between alternative stable states. Because of their important ecological and economic consequences, recent research has focused on devising early warning signals for anticipating such abrupt ecological transitions. In particular, theoretical studies show that changes in spatial characteristics of the system could provide early warnings of approaching transitions. However, the empirical validation of these indicators lag behind their theoretical developments. Here, we summarize a range of currently available spatial early warning signals, suggest potential null models to interpret their trends, and apply them to three simulated spatial data sets of systems undergoing an abrupt transition. In addition to providing a step-by-step methodology for applying these signals to spatial data sets, we propose a statistical toolbox that may be used to help detect approaching transitions in a wide range of spatial data. We hope that our methodology together with the computer codes will stimulate the application and testing of spatial early warning signals on real spatial data.

Book
20 Aug 2014
TL;DR: In this article, the authors discuss the pole figures and more comprehensive orientation distribution function methods for texture analysis, and a brief account of texture evolution in various technologically important materials, ranging from common metals and alloys to intermetallics, ceramics and polymers along with some naturally occurring materials like rocks, ice, bones etc.
Abstract: Many naturally occurring as well as man made materials comprise of large number of crystallites with a preferred orientation. The preferred orientation, popularly known as texture, governs various structural and mechanical properties of these materials. Texture may develop during variety of processes like solidification, plastic deformation, annealing and phase transformation. It is, therefore, possible to tailor texture in materials to enhance a particular property. Traditionally, X-ray and neutron diffraction had been used to study texture in materials. It has been very recently that other techniques based on synchrotron X-rays and SEM based Electron Backscattered Diffraction have been developed for complete characterization of texture in materials. In the present review, the authors discuss the pole figures and more comprehensive orientation distribution function methods for texture analysis. In addition, a brief account of texture evolution in various technologically important materials, ranging from common metals and alloys to intermetallics, ceramics and polymers along with some naturally occurring materials like rocks, ice, bones etc. has been given. The present review is particularly aimed at readers newly initiated in this field rather than the experts.

Journal ArticleDOI
26 Nov 2014-PLOS ONE
TL;DR: This approach is the first to simultaneously track diverse reading subprocesses during complex story processing and predict the detailed neural representation of diverse story features, ranging from visual word properties to the mention of different story characters and different actions they perform.
Abstract: Story understanding involves many perceptual and cognitive subprocesses, from perceiving individual words, to parsing sentences, to understanding the relationships among the story characters. We present an integrated computational model of reading that incorporates these and additional subprocesses, simultaneously discovering their fMRI signatures. Our model predicts the fMRI activity associated with reading arbitrary text passages, well enough to distinguish which of two story segments is being read with 74% accuracy. This approach is the first to simultaneously track diverse reading subprocesses during complex story processing and predict the detailed neural representation of diverse story features, ranging from visual word properties to the mention of different story characters and different actions they perform. We construct brain representation maps that replicate many results from a wide range of classical studies that focus each on one aspect of language processing and offer new insights on which type of information is processed by different areas involved in language processing. Additionally, this approach is promising for studying individual differences: it can be used to create single subject maps that may potentially be used to measure reading comprehension and diagnose reading disorders.

Journal ArticleDOI
TL;DR: This work presents a comprehensive theoretical description of gradient-sensing of an individual swimmer, leading controllably to chemotactic or anti-chemotactic behavior, and uses it to construct a framework for studying their collective behavior.
Abstract: The creation of synthetic systems that emulate the defining properties of living matter, such as motility, gradient-sensing, signaling, and replication, is a grand challenge of biomimetics. Such imitations of life crucially contain active components that transform chemical energy into directed motion. These artificial realizations of motility point in the direction of a new paradigm in engineering, through the design of emergent behavior by manipulating properties at the scale of the individual components. Catalytic colloidal swimmers are a particularly promising example of such systems. Here we present a comprehensive theoretical description of gradient-sensing of an individual swimmer, leading controllably to chemotactic or anti-chemotactic behavior, and use it to construct a framework for studying their collective behavior. We find that both the positional and the orientational degrees of freedom of the active colloids can exhibit condensation, signaling formation of clusters and asters. The kinetics of catalysis introduces a natural control parameter for the range of the interaction mediated by the diffusing chemical species. For various regimes in parameter space in the long-ranged limit our system displays precise analogs to gravitational collapse, plasma oscillations, and electrostatic screening. We present prescriptions for how to tune the surface properties of the colloids during fabrication to achieve each type of behavior.

Journal ArticleDOI
TL;DR: In this paper, the concepts and rational approaches underlying the design of white-light emissive organic materials are described, ranging from frustrated energy transfer to simple protonation or from designed self-assembly to simple mixing of materials.

Journal ArticleDOI
TL;DR: In this article, the anti-icing properties of hydrophilic, hydrophobic and super-hydrophobic surfaces/coatings were evaluated using a custom-built apparatus based on zero-degree cone test method.

Journal ArticleDOI
TL;DR: It is demonstrated here that miR156 is a potential graft-transmissible signal that affects plant architecture and tuberization in potato (Solanum tuberosum) and found thatMiR156-resistant SPL9 overexpression lines exhibited increased miR172 levels under a short-day photoperiod, supporting miR 172 regulation via the miR 156-SPL9 module.
Abstract: MicroRNA156 (miR156) functions in maintaining the juvenile phase in plants. However, the mobility of this microRNA has not been demonstrated. So far, only three microRNAs, miR399, miR395, and miR172, have been shown to be mobile. We demonstrate here that miR156 is a potential graft-transmissible signal that affects plant architecture and tuberization in potato (Solanum tuberosum). Under tuber-noninductive (long-day) conditions, miR156 shows higher abundance in leaves and stems, whereas an increase in abundance of miR156 has been observed in stolons under tuber-inductive (short-day) conditions, indicative of a photoperiodic control. Detection of miR156 in phloem cells of wild-type plants and mobility assays in heterografts suggest that miR156 is a graft-transmissible signal. This movement was correlated with changes in leaf morphology and longer trichomes in leaves. Overexpression of miR156 in potato caused a drastic phenotype resulting in altered plant architecture and reduced tuber yield. miR156 overexpression plants also exhibited altered levels of cytokinin and strigolactone along with increased levels of LONELY GUY1 and StCyclin D3.1 transcripts as compared with wild-type plants. RNA ligase-mediated rapid amplification of complementary DNA ends analysis validated SQUAMOSA PROMOTER BINDING-LIKE3 (StSPL3), StSPL6, StSPL9, StSPL13, and StLIGULELESS1 as targets of miR156. Gel-shift assays indicate the regulation of miR172 by miR156 through StSPL9. miR156-resistant SPL9 overexpression lines exhibited increased miR172 levels under a short-day photoperiod, supporting miR172 regulation via the miR156-SPL9 module. Overall, our results strongly suggest that miR156 is a phloem-mobile signal regulating potato development.

Journal ArticleDOI
TL;DR: In this paper, the authors report that millimetre-sized tapered rods, rendered motile by contact with an underlying vibrated surface and interacting through a medium of spherical beads, undergo a phase transition to a state of spontaneous alignment of velocities and orientations above a threshold bead area fraction.
Abstract: The self-organized motion of vast numbers of creatures in a single direction is a spectacular example of emergent order. Here, we recreate this phenomenon using actuated nonliving components. We report here that millimetre-sized tapered rods, rendered motile by contact with an underlying vibrated surface and interacting through a medium of spherical beads, undergo a phase transition to a state of spontaneous alignment of velocities and orientations above a threshold bead area fraction. Guided by a detailed simulation model, we construct an analytical theory of this flocking transition, with two ingredients: a moving rod drags beads; neighbouring rods reorient in the resulting flow like a weathercock in the wind. Theory and experiment agree on the structure of our phase diagram in the plane of rod and bead concentrations and power-law spatial correlations near the phase boundary. Our discovery suggests possible new mechanisms for the collective transport of particulate or cellular matter.

Journal ArticleDOI
TL;DR: An upper bound on the minimum distance of vector-alphabet codes with locality is derived for the case when their constituent local codes have a certain uniform rank accumulation property.
Abstract: Regenerating codes and codes with locality are two coding schemes that have recently been proposed, which in addition to ensuring data collection and reliability, also enable efficient node repair. In a situation where one is attempting to repair a failed node, regenerating codes seek to minimize the amount of data downloaded for node repair, while codes with locality attempt to minimize the number of helper nodes accessed. This paper presents results in two directions. In one, this paper extends the notion of codes with locality so as to permit local recovery of an erased code symbol even in the presence of multiple erasures, by employing local codes having minimum distance >2. An upper bound on the minimum distance of such codes is presented and codes that are optimal with respect to this bound are constructed. The second direction seeks to build codes that combine the advantages of both codes with locality as well as regenerating codes. These codes, termed here as codes with local regeneration, are codes with locality over a vector alphabet, in which the local codes themselves are regenerating codes. We derive an upper bound on the minimum distance of vector-alphabet codes with locality for the case when their constituent local codes have a certain uniform rank accumulation property. This property is possessed by both minimum storage regeneration (MSR) and minimum bandwidth regeneration (MBR) codes. We provide several constructions of codes with local regeneration which achieve this bound, where the local codes are either MSR or MBR codes. Also included in this paper, is an upper bound on the minimum distance of a general vector code with locality as well as the performance comparison of various code constructions of fixed block length and minimum distance.

Journal ArticleDOI
TL;DR: This review sheds light on the stabilization/phase transformation pathways of titania polymorphs like anatase, rutile, brookite and TiO2(B) under a variety of reaction conditions.
Abstract: Nanocrystalline titania are a robust candidate for various functional applications owing to its non-toxicity, cheap availability, ease of preparation and exceptional photochemical as well as thermal stability. The uniqueness in each lattice structure of titania leads to multifaceted physico-chemical and opto-electronic properties, which yield different functionalities and thus influence their performances in various green energy applications. The high temperature treatment for crystallizing titania triggers inevitable particle growth and the destruction of delicate nanostructural features. Thus, the preparation of crystalline titania with tunable phase/particle size/morphology at low to moderate temperatures using a solution-based approach has paved the way for further exciting areas of research. In this focused review, titania synthesis from hydrothermal/solvothermal method, conventional sol–gel method and sol–gel-assisted method via ultrasonication, photoillumination and ILs, thermolysis and microemulsion routes are discussed. These wet chemical methods have broader visibility, since multiple reaction parameters, such as precursor chemistry, surfactants, chelating agents, solvents, mineralizer, pH of the solution, aging time, reaction temperature/time, inorganic electrolytes, can be easily manipulated to tune the final physical structure. This review sheds light on the stabilization/phase transformation pathways of titania polymorphs like anatase, rutile, brookite and TiO2(B) under a variety of reaction conditions. The driving force for crystallization arising from complex species in solution coupled with pH of the solution and ion species facilitating the orientation of octahedral resulting in a crystalline phase are reviewed in detail. In addition to titanium halide/alkoxide, the nucleation of titania from other precursors like peroxo and layered titanates are also discussed. The non-aqueous route and ball milling-induced titania transformation is briefly outlined; moreover, the lacunae in understanding the concepts and future prospects in this exciting field are suggested.

Journal ArticleDOI
TL;DR: Host-directed therapies are now being developed to refocus the anti-Mycobacterium tuberculosis-directed immune responses towards the host; a strategy that could be especially beneficial for patients with multidrug- resistant tuberculosis or extensively drug-resistant tuberculosis.

Journal ArticleDOI
TL;DR: In this article, different existing methodologies are used to estimate the ice reserves: three area-volume relations, one slope-dependent volume estimation method, and two ice-thickness distribution models are applied to a recent, detailed, and complete glacier inventory of the Himalayan-Karakoram (HK) region, spanning over the period 2000-2010 and revealing an ice coverage of 40 775 km(2).
Abstract: Ice volume estimates are crucial for assessing water reserves stored in glaciers. Due to its large glacier coverage, such estimates are of particular interest for the Himalayan-Karakoram (HK) region. In this study, different existing methodologies are used to estimate the ice reserves: three area-volume relations, one slope-dependent volume estimation method, and two ice-thickness distribution models are applied to a recent, detailed, and complete glacier inventory of the HK region, spanning over the period 2000-2010 and revealing an ice coverage of 40 775 km(2). An uncertainty and sensitivity assessment is performed to investigate the influence of the observed glacier area and important model parameters on the resulting total ice volume. Results of the two ice-thickness distribution models are validated with local ice-thickness measurements at six glaciers. The resulting ice volumes for the entire HK region range from 2955 to 4737 km(3), depending on the approach. This range is lower than most previous estimates. Results from the ice thickness distribution models and the slope-dependent thickness estimations agree well with measured local ice thicknesses. However, total volume estimates from area-related relations are larger than those from other approaches. The study provides evidence on the significant effect of the selected method on results and underlines the importance of a careful and critical evaluation.

Journal ArticleDOI
TL;DR: Dynamic covalent imine chemistry has been utilized to synthesize a fluorescent [3+2] self-assembled nanoscopic organic cage and the fluorescent nature of the reduced analogue of the cage was exploited for the highly selective detection of the explosive picric acid.

Journal ArticleDOI
TL;DR: In this article, the authors considered the theoretical and experimental constraints on two-Higgs-doublet models, focusing on the parameter space relevant to explain the present muon g-2 anomaly, Delta alpha(mu), in four different types of models, type I, II, lepton specific and flipped.
Abstract: We update the constraints on two-Higgs-doublet models (2HDMs) focusing on the parameter space relevant to explain the present muon g - 2 anomaly, Delta alpha(mu), in four different types of models, type I, II, ``lepton specific'' (or X) and ``flipped'' (or Y). We show that the strong constraints provided by the electroweak precision data on the mass of the pseudoscalar Higgs, whose contribution may account for Delta alpha(mu), are evaded in regions where the charged scalar is degenerate with the heavy neutral one and the mixing angles alpha and beta satisfy the Standard Model limit beta - alpha approximate to pi/2. We combine theoretical constraints from vacuum stability and perturbativity with direct and indirect bounds arising from collider and B physics. Possible future constraints from the electron g - 2 are also considered. If the 126 GeV resonance discovered at the LHC is interpreted as the light CP-even Higgs boson of the 2HDM, we find that only models of type X can satisfy all the considered theoretical and experimental constraints.

Journal ArticleDOI
TL;DR: Few-layer transition metal dichalcogenide alloys based on molybdenum sulphoselenides [MoS2(1-x)Se2x] possess higher hydrogen evolution (HER) activity compared to pristine few-layer MoS2 and MoSe2, and it is found that the composition MoS 1.0Se1.0 shows the highest HER activity amongst the catalysts studied.
Abstract: Few-layer transition metal dichalcogenide alloys based on molybdenum sulphoselenides [MoS2(1−x)Se2x] possess higher hydrogen evolution (HER) activity compared to pristine few-layer MoS2 and MoSe2. Variation of the sulphur or selenium content in the parent dichalcogenides reveals a systematic structure–activity relationship for different compositions of alloys, and it is found that the composition MoS1.0Se1.0 shows the highest HER activity amongst the catalysts studied. The tunable electronic structure of MoS2/MoSe2 upon Se/S incorporation probably assists in the realization of high HER activity.

Journal ArticleDOI
TL;DR: This article summarizes the recent developments in the construction of multicomponent molecular cages through this process, with a focus on the decreasing relevance of templates, and use of these systems in catalysis/host-guest chemistry.

Proceedings ArticleDOI
01 Oct 2014
TL;DR: A new technique for combining KB relations and surface text into a single graph representation that is much more compact than graphs used in prior work is presented, and how to incorporate vector space similarity into random walk inference over KBs is described.
Abstract: Much work in recent years has gone into the construction of large knowledge bases (KBs), such as Freebase, DBPedia, NELL, and YAGO. While these KBs are very large, they are still very incomplete, necessitating the use of inference to fill in gaps. Prior work has shown how to make use of a large text corpus to augment random walk inference over KBs. We present two improvements to the use of such large corpora to augment KB inference. First, we present a new technique for combining KB relations and surface text into a single graph representation that is much more compact than graphs used in prior work. Second, we describe how to incorporate vector space similarity into random walk inference over KBs, reducing the feature sparsity inherent in using surface text. This allows us to combine distributional similarity with symbolic logical inference in novel and effective ways. With experiments on many relations from two separate KBs, we show that our methods significantly outperform prior work on KB inference, both in the size of problem our methods can handle and in the quality of predictions made.

Journal ArticleDOI
TL;DR: The proposed detector of the spatial Modulation system is shown to be ML-optimal, despite its lowest complexity amongst the existing detectors, and employing the proposed optimal power allocation provides a substantial gain in terms of the SM system's capacity as well as signal-to-noise ratio compared to its equal-power-allocation counterpart.
Abstract: Spatial Modulation (SM) is a recently developed low-complexity Multiple-Input Multiple-Output scheme that jointly uses antenna indices and a conventional signal set to convey information. It has been shown that the Maximum-Likelihood (ML) detector of an SM system involves joint detection of the transmit antenna index and of the transmitted symbol, hence, the ML search complexity grows linearly with the number of transmit antennas and the size of the signal set. To circumvent the problem, we show that the ML search complexity of an SM system may be rendered independent of the constellation size, provided that the signal set employed is a square- or a rectangular-QAM. Furthermore, we derive bounds for the capacity of the SM system and derive the optimal power allocation between the data and the training sequences by maximizing the worst-case capacity bound of the SM system operating with imperfect channel state information. We show, with the aid of our simulation results, that the proposed detector is ML-optimal, despite its lowest complexity amongst the existing detectors. Furthermore, we show that employing the proposed optimal power allocation provides a substantial gain in terms of the SM system's capacity as well as signal-to-noise ratio compared to its equal-power-allocation counterpart. Finally, we compare the performance of the SM system to that of the conventional Multiple-Input Multiple-Output (MIMO) system and show that the SM system is capable of outperforming the conventional MIMO system by a significant margin, when both the systems are employing optimal power splitting.