<p>Shiv Nadar University is a comprehensive, multidisciplinary, research-focused, and student-centric University offering a full range of academic programs at the undergraduate, postgraduate and doctoral level. With state-of-the-art infrastructure, the University comprises of academic wings, sophisticated labs, international standard sports facilities, amphitheaters, auditorium, conference rooms and smart classrooms. The University&rsquo;s goal is to become internationally recognized for the quality of its research and creative endeavors and their applicability to improving quality of life, generating new insights and expanding the boundaries of human knowledge creativity. Committed to excellence in teaching, research and service, the University aims to serve the higher education needs of India and the world beyond.</p>

Shiv Nadar University

(SoNS) School of Natural Sciences

Free-standing films of graphene oxide (GO) are regarded as potential materials for numerous applications in different fields. However, fabricating macroscopic free-standing GO films with high throughput is a bottleneck in large-scale application of these films. Here we introduce a method suitable for the mass-scale fabrication of free-standing GO films by exploring paraffin film (Parafilm M®) as a sacrificial substrate. The method involves deposition of GO on a paraffin film and peeling of the paraffin film after swelling it with toluene to obtain free-standing film of GO. Furthermore, the GO films were reduced into highly conductive RGO films using a green reducing agent ascorbic acid. A strategy of treating GO films with CuSO4 solution prior to reduction is also designed to avoid the possible disintegration of GO films in ascorbic acid solution. A detailed comparative study on the properties of RGO films prepared via thermal and chemical treatment and through the combination of both is also reported. An investigation of the variation in the electrical conductivity of the RGO films based on the reduction method is also carried out. The hydrophobic nature of the thermally reduced RGO films is explored for the oil/water separation. © 2018 Elsevier B.V.

World University root node

Physics

Chemical Engineering Journal

Fabrication of free-standing graphene oxide films using a facile approach toluene swollen paraffin peeling and green reduction of these films into highly conductive reduced graphene oxide films

Verhandlungen der Deutschen Physikalischen Gesellschaft

Magnetic ordering in the mixed valent iridate BaLuIrO

Low-energy linear absorption spectrum of a series of 48 donor-acceptor-donor (D-A-D) scheme based thiophone-benzo(bis-)X-diazole molecules with X = O, S, Se, or Te are calculated using time dependent density functional theory in order to propose strategical design of molecules that can efficiently absorb light in the infrared and visible region of the solar spectrum. Our study establishes that optical properties of the D-A-D based organic molecules significantly depend on the donor-to-acceptor (D/A) ratio and the strength of the acceptor moiety. Thus, by choice of a suitable D/A ratio and type of the acceptor moiety, the linear absorption spectrum can be largely shifted, in general, while the optical gap can be engineered over a wide energy range of ∼0.2-2.3 eV, in particular. It is also noticed that the increase in acceptor units (i.e., when D/A ≤ 1) leads to increase in steric hindrance in between them. This, in turn, disrupts the effective conjugation length and increases the optical gap. However, this effect is found to dominate strongly in the bis-configurations of the molecules as compared to the nonbis compositions. In order to reduce this effect for rational designing of effective D-A-D type chromophores with less steric hindrance, the role of π-conjugated ethylene (-CH=CH-) linkage/spacer between the A-A units is explored further. Here, it is found that introduction of such linkage substantially decreases the steric hindrance and, thereby, the optical gap as well. Besides this, our study also highlights and explains the impact of the acceptor moiety in improving the absorption capabilities of these molecules in the low-energy region. © 2017 American Chemical Society.

Journal of Physical Chemistry A

Strategical Designing of Donor-Acceptor-Donor Based Organic Molecules for Tuning Their Linear Optical Properties

Understanding the interaction of ionic liquids with cellular membrane becomes utterly important to comprehend the activities of these liquids in living organisms. Lipid monolayer formed at the air–water interface is employed as a model system to follow this interaction by investigating important thermodynamic parameters. The penetration kinetics of the imidazolium-based ionic liquid 1-decyl-3-methylimidazolium tetrafluoroborate ([DMIM][BF4]) into the zwitterionic 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) lipid layer is found to follow the Boltzmann-like equation that reveals the characteristic time constant which is observed to be the function of initial surface pressure. The enthalpy and entropy calculated from temperature-dependent pressure–area isotherms of the monolayer show that the added ionic liquids bring about a disordering effect in the lipid film. The change in Gibbs free energy indicates that an ionic liquid with longer chain has a far greater disordering effect compared to an ionic liquid with shorter chain. The differential scanning calorimetric measurement on a multilamellar vesicle system shows the main phase transition temperature to shift to a lower value, which, again, indicates the disordering effect of the ionic liquid on lipid membrane. All these studies fundamentally point out that, when ionic liquids interact with lipid molecules, the self-assembled structure of a cellular membrane gets perturbed, which may be the mechanism of these molecules having adverse effects on living organisms. © 2018, International Union for Pure and Applied Biophysics (IUPAB) and Springer-Verlag GmbH Germany, part of Springer Nature.

Fulltext

Biophysical Reviews

Thermodynamics of interaction of ionic liquids with lipid monolayer

Room temperature transformation from anatase (A-TiO2) to rutile (R-TiO2) thin films through an intermediate mixed phase on stainless steel driven by a controlled oxygen flow rate (OFR) is investigated. Such OFR dependent phase transition is confirmed by X-ray diffraction and also consistent with X-ray absorption spectroscopy at Ti L and O K-edges, showing a long range ordering in TiO6 octahedral symmetry. X-ray photoelectron spectroscopy reveals a gradual reduction in Ti2O3 and/or TiO intermediate phases with increasing OFR. Finally, an enhanced photocatalytic activity is observed in the mixed phase and discussed in terms of photo-generated charge transport in the type-II staggered band structure between A-TiO2 and R-TiO2 phases. © 2018 Author(s).

Applied Physics Letters

Oxygen mediated phase transformation in room temperature grown TiO2 thin films with enhanced photocatalytic activity

In this paper, we explore a new avenue to a natural explanation of the observed tiny neutrino masses with a dynamical realization of the three-generation structure in the neutrino sector. Under the magnetized background based on T2/Z2, matter consists of multiply-degenerated zero modes and the whole intergenerational structure is dynamically determined. In this sense, we can conclude that our scenario is favored by minimality, where no degree of freedom remains to deform the intergenerational structure by hand freely. Under the consideration of brane-localized Majorana-type mass terms for an SU(2)L singlet neutrino, it is sufficient to introduce one Higgs doublet for reproducing the observed neutrino data. In all reasonable flux configurations with three right-handed neutrinos, phenomenologically acceptable parameter configurations are found. © 2018, The Author(s).

Journal of High Energy Physics

Seesaw mechanism in magnetic compactifications

Achieving synthetic control over light-driven molecular dynamics is essential for designing complex molecule-based devices. Here we design a novel coumarin-imidazole conjugate (1) whose excited state structural dynamics are primarily controlled by a distant intramolecular H-bonding interaction within the backbone. The coumarin conjugate is based on a 1,2,4,5-aryl substituted imidazole framework (aryl = -Ph and -PhOH) covalently connected to the coumarin moiety via a C-N bond. A carefully positioned OH group in the aryl part of the imidazole fragment resulted in achieving two dissimilar O-H⋯N and O-H⋯O distal intramolecular hydrogen bonding interactions. NMR studies in conjunction with density functional theory (DFT) at the B3LYP/6-311G(d,p) level of theory show the existence of two ground state conformers with a rotational barrier of 6.12 kcal mol-1. Due to the presence of conformational isomers of 1, the local excited state dynamics of the parent coumarin get biased towards a long-lived fluorescence state with diminished non-radiative decay channels. Time-resolved emission studies show an ∼4-5 times increase in the excited state lifetime in 1 when compared to coumarin-imidazole conjugates, 2 and 3, without the OH group. Solvent dependent studies show that solvent polarity, the H-bond donating ability and viscosity dictate the conformational distribution in the ground state and the dynamical evolution to the final emissive state. Our studies highlight the importance of rotamerism around the C1-C4 single bond, which leads to rigidification along the coumarin-imidazole backbone through a combination of distal H-bonding and solvent interactions. The concept of new emission signaling pathways caused by conformational switching between two states offers a new paradigm to introduce functional allostery in macromolecular backbones. © 2018 the Owner Societies.

Chemistry

Physical Chemistry Chemical Physics

Conformational switching: Via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate

The emergence of single-component organic dual light emitters holds great promise for white light-emitting diodes (WLEDs) and biological detection due to the involvement of broad emission covering visible spectrum. Here we show experimental studies on dual emission of carbazole-quinoline conjugate (CQ) that exhibits both thermally activated delayed fluorescence (TADF) via reverse intersystem crossing (rISC) from the higher-lying triplet state (T2) to the singlet state (S1) and room-temperature phosphorescence (RTP) from the lowest triplet state (T1) due to low energy gap between T2 and S1, and energetic proximity of T1 with T2. We found in thermal effect that the intensity of the dual features is enhanced with increasing temperatures up to 100 °C, which can be explained by a thermal-induced structural change (TISC) mechanism that compensates the emission losses due to nonradiative transitions at elevated temperatures. This property, in addition to its enhanced TADF and phosphorescence decay rates (∼107 s-1and 101 s-1) at 100 °C, would have great promise for high-efficiency LEDs. © 2018 American Chemical Society.

Journal of Physical Chemistry Letters

Dual Emission through Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence, and Their Thermal Enhancement via Solid-State Structural Change in a Carbazole-Quinoline Conjugate

Despite significant progress in the synthesis of covalent organic frameworks (COFs), reports on the precise construction of template-free nano- and microstructures of such materials have been rare. In the quest for dye-containing porous materials, a novel conjugated framework DPP-TAPP-COF with an enhanced absorption capability up to $\lambda$=800 nm has been synthesized by utilizing reversible imine condensations between 5,10,15,20-tetrakis(4-aminophenyl)porphyrin (TAPP) and a diketopyrrolopyrrole (DPP) dialdehyde derivative. Surprisingly, the obtained COF exhibited spontaneous aggregation into hollow microtubular assemblies with outer and inner tube diameters of around 300 and 90 nm, respectively. A detailed mechanistic investigation revealed the time-dependent transformation of initial sheet-like agglomerates into the tubular microstructures.

Angewandte Chemie - International Edition

Microtubular Self-Assembly of Covalent Organic Frameworks

The existence of Dark Matter (DM) has been well established from various cosmological and astrophysical evidences. However, the particle properties of DM are largely undetermined and attempts to probe its interactions with the Standard Model (SM) particles have, so far, not met with any success. The stringent constraints on the DM-SM interactions, while does not exclude the standard lore of producing weakly massive interacting particle DM candidates through thermal freeze-out mechanism in its entirety, have certainly cast shadow on the same. In this work, we consider non-thermal production of DM within a simple extension of the SM including an inflaton field and a scalar DM candidate. Assuming negligible interactions between the SM particles and the DM, we study the production of the latter at the end of inflation, during the (p)reheating epoch. In this context, we explore the role of DM self-interactions and its interaction with the inflaton field and find that DM can be over produced in a significant region of the parameter space. We further demonstrate that large self-interaction of the DM can suppress its abundance during preheating and to a certain extent helps to achieve the observed relic abundance via cannibalization.