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Shiv Nadar University

(SoNS) School of Natural Sciences

Overwhelming antibiotic use poses a serious challenge today to the public-health policymakers worldwide. Many empirical studies pointed out this ever-increasing antibiotic consumption as primary driver of the community-acquired antibiotic drug-resistance, especially in the middle- and lower-income countries. The association is well documented across spatio-temporal gradients in many parts of the world, but there is rarely any study that emphasizes the mechanism of the association, which is important for combating drug-resistance. Formulating a mathematical model of emergence and transmission of drug-resistance, we in this paper, present how amalgamating three components: socio-economic growth, population ecology of infectious disease, and antibiotic misuse can instinctively incite proliferation of resistance in the society. We show that combined impact of economy, infections, and self-medication yield synergistic interactions through feedbacks on each other, presenting the emergence of drug-resistance as a self-reinforcing cycle in the population. Analysis of our model not only determines the threshold of antibiotic use beyond which the emergence of resistance may occur, but also characterizes how fast it develops depending on economic growth, and lack of education and awareness of the population. Our model illustrates that proper and timely government aid in population health can break the self-reinforcing process and reduce the burden of drug-resistance in the community. © 2019, The Author(s).

Mathematics

Fulltext

Scientific Reports

Antibiotic drug-resistance as a complex system driven by socio-economic growth and antibiotic misuse

The largest eigenvalue distribution of the Wishart?Laguerre ensemble, indexed by Dyson parameter and Laguerre parameter a, is fundamental in multivariate statistics and finds applications in diverse areas. Based on a generalisation of the Selberg integral, we provide an effective recursion scheme to compute this distribution explicitly in both the original model, and a fixed-trace variant, for a, non-negative integers and finite matrix size. For = 2 this circumvents known symbolic evaluation based on determinants which become impractical for large dimensions. Our exact results have immediate applications in the areas of multiple channel communication and bipartite entanglement. Moreover, we are also led to the exact solution of a long standing problem of finding a general result for Landauer conductance distribution in a chaotic mesoscopic cavity with two ideal leads. Thus far, exact closed-form results for this were available only in the Fourier?Laplace space or could be obtained on a case-by-case basis. © 2019 IOP Publishing Ltd.

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Physics

Journal of Physics A: Mathematical and Theoretical

Recursion scheme for the largest-Wishart-Laguerre eigenvalue and Landauer conductance in quantum transport

A new realization of extended quantum-mechanical supersymmetry (QM SUSY) with central extension is investigated. We first show that two different sets of d+2 (d+1) supercharges for d=even (odd), each of which satisfies an N=d+2 (d+1) extended QM SUSY algebra without central extension, are hidden in the four-dimensional mass spectrum of the (4+d)-dimensional Dirac action. We then find that the whole set of the supercharges forms an N=2d+4 (2d+2) extended QM SUSY algebra with central charges for d=even (odd). The representation of the supersymmetry algebra is shown to be 1/2-Bogomol'nyi-Prasad-Sommerfield states that correspond to a short representation for the supersymmetry algebra with a central extension. We explicitly examine the four-dimensional mass spectrum of the models with the hyperrectangle and the torus extra dimensions, and discuss their supersymmetric structures. © 2019 authors. Published by the American Physical Society.

Physical Review D

Extended supersymmetry with central charges in higher dimensional Dirac action

V51 nuclear magnetic resonance (NMR) and magnetization studies on CeTi1-xVxGe3 have been performed to explore the evolution from the ferromagnetic (x=0.113) to the antiferromagnetic Kondo lattice state (x=1), with focus on the emergence of a possible ferromagnetic quantum critical point (FMQCP) at xc≈0.4. From the temperature dependence of the nuclear spin-lattice relaxation rate, 1/T1T and the Knight shift, K, for x=0.113 and x=1 a considerable competition between ferro- A nd antiferromagnetic correlations is found. Around the critical concentration (x=0.35,0.405), quantum-critical spin fluctuations entail weak antiferromagnetic spin fluctuations admixed with ferromagnetic spin fluctuations. The FMQCP in CeTi1-xVxGe3 therefore is not purely ferromagnetic in nature.

Physical Review B

Competing magnetic correlations across the ferromagnetic quantum critical point in the Kondo system CeTi1-x VxGe3: V 51 NMR as a local probe

Highly efficient oxidative annulation of alkynes furnished diversely substituted pyran[2,3,4-de]chromene-2-one derivatives and related polycycles in moderate to high yield. The reaction is catalyzed by nontoxic, air-stable, and inexpensive Cp∗Co(CO)I 2 catalyst. The hydroxyl moiety at the substrate acts as the directing group for the C-H bond activation. © 2019 American Chemical Society.

Chemistry

Journal of Organic Chemistry

Cobalt-Catalyzed, Hydroxyl-Assisted C-H Bond Functionalization: Access to Diversely Substituted Polycyclic Pyrans

Graphene oxide (GO) is an attractive precursor for graphene, provided by the well-known wet-chemical oxidative process. The intercalation of acid in graphite is considered as a crucial step, and its subsequent oxidation holds special relevance in synthesis. So far, the above chemistry is dominated by usage of H2SO4. Recently, H3PO4 appeared as a suitable intercalant for graphite. However, its role is not well understood in the formation of GO, especially when present as a co-acid with H2SO4. Additionally, a relatively lower toxicity of H3PO4 as compared to H2SO4, elimination of toxic NaNO3 usage, and a facile purification protocol are encouraging in terms of low-cost production of GO with a reduced environmental impact. Here, we report the systematic synthesis and characterization of GOs prepared with the variation in the ratio of H2SO4 and H3PO4. Ab initio simulations revealed that intercalation is primarily affected because of the usage of a mixture of co-acids. Interestingly, the ratio of the acids dictated the nature of the functionalities, extent of the defects, and morphology of the GOs, accounting for a pronounced effect on thermal stability, contact angle, zeta potential, and hydrodynamic size. The oxidation mechanism showed a predominance of H2SO4 content, whereas H3PO4 is found to mainly govern the intercalation of graphite, thereby affecting the acid-based intercalation-oxidation chemistry of graphite. The as-prepared GO suspension exhibited a high adsorption capacity for methylene blue dye removal in water, suggesting its potential as an adsorbent material in water treatment. The utility of the two acids affects the acid-based intercalation-oxidation chemistry of graphite and simultaneously may open up new opportunities for synthesized GOs, on tenets of green chemistry, in a wide arena of applications. © 2019 American Chemical Society.

ACS Omega

Control of Functionalities in GO: Effect of Bronsted Acids as Supported by Ab Initio Simulations and Experiments

Quantum and noncommutative corrections to the Newtonian law of inertia are considered in the general setting of Verlinde's entropic force postulate. We demonstrate that the form for the modified Newtonian dynamics (MOND) emerges in a classical setting by seeking appropriate corrections in the entropy. We estimate the correction term by using concrete coherent states in the standard and generalized versions of Heisenberg's uncertainty principle. Using Jackiw's direct and analytic method, we compute the explicit wavefunctions for these states, producing minimal length as well as minimal products. Subsequently, we derive a further selection criterium restricting the free parameters in the model in providing a canonical formulation of the quantum corrected Newtonian law by setting up the Lagrangian and Hamiltonian for the system. © 2019 World Scientific Publishing Company.

International Journal of Modern Physics B

Quantum, noncommutative and MOND corrections to the entropic law of gravitation

Background: Artesunate the most potent antimalarial is widely used for the treatment of multidrug-resistant malaria. The antimalarial cytotoxicity of artesunate has been mainly attributed to its selective, irreversible and iron- radical-mediated damage of parasite biomolecules. In the present research, iron oxide nanoparticle fortified artesunate was tested in P. falciparum and in an experimental malaria mouse model for enhancement in the selectivity and toxicity of artesunate towards parasite. Artesunate was fortified with nontoxic biocompatible surface modified iron oxide nanoparticle which is specially designed and synthesized for the sustained pH-dependent release of Fe2+ within the parasitic food vacuole for enhanced ROS spurt. Methods: Antimalarial efficacy of Iron oxide nanoparticle fortified artesunate was evaluated in wild type and artemisinin-resistant Plasmodium falciparum (R539T) grown in O + ve human blood and in Plasmodium berghei ANKA infected swiss albino mice. Internalization of nanoparticles, the pH-dependent release of Fe2+, production of reactive oxygen species and parasite biomolecule damage by iron oxide nanoparticle fortified artesunate was studied using various biochemical, biophysical, ultra-structural and fluorescence microscopy. For determining the efficacy of ATA-IONP+ART on resistant parasite ring survival assay was performed. Results: The nanoparticle fortified artesunate was highly efficient in the 1/8th concentration of artesunate IC50 and led to retarded growth of P. falciparum with significant damage to macromolecules mediated via enhanced ROS production. Similarly, preclinical In vivo studies also signified a radical reduction in parasitemia with ~8–10-fold reduced dosage of artesunate when fortified with iron oxide nanoparticles. Importantly, the ATA-IONP combination was efficacious against artemisinin-resistant parasites. Interpretation: Surface coated iron-oxide nanoparticle fortified artesunate can be developed into a potent therapeutic agent towards multidrug-resistant and artemisinin-resistant malaria in humans. Fund: This study is supported by the Centre for Study of Complex Malaria in India funded by the National Institute of Health, USA. © 2019

EBioMedicine

Pre-clinical study of iron oxide nanoparticles fortified artesunate for efficient targeting of malarial parasite

The controlled incorporation of defect species in amorphous oxide (AO) for regulating charge transport properties is highly demanding and challenging, especially for resistive switching (RS) memories. Here, we use pulsed electron beam deposition technique to engineer the growth of AO films, which show a large decrease (â33\%) in the t2g-eg gap. Our collective experiments and density functional theory (DFT) based ab initio simulations reveal the presence of undercoordinated TiO5 units, causing a decrease in the t2g-eg gap. Further, the importance of TiO5 in facilitating excess electron localization is demonstrated, showing an evolution of a broad defect band within the energy gap. The origin of this band (singly charged oxygen vacancy) is resolutely established by X-ray photoelectron spectroscopy and electron paramagnetic resonance measurements and is also supported by calculated partial charge density and Bader charge analysis. The preeminence of singly charged oxygen vacancies cause a low-current level (up to 1-5 nA) RS operation with a gradual change of resistance states, which could set their path for the energy-efficient neuromorphic computing application. Finally, a new model based on probabilistic Markov chain algorithm is also developed to unfold the gradual change of resistance states from the fundamental defect interaction perspective. © 2019 American Chemical Society.

Journal of Physical Chemistry C

Synergistic Effect of Singly Charged Oxygen Vacancies and Ligand Field for Regulating Transport Properties of Resistive Switching Memories

We show that the observed quark/lepton mass hierarchy can be realized dynamically on an interval extra dimension with point interactions. In our model, the positions of the point interactions play a crucial role in controlling the quark/lepton mass hierarchy and are determined by the minimization of the Casimir energy. By use of the exact extra-dimensional coordinate-dependent vacuum expectation value of a gauge-singlet scalar, we find that there is a parameter set, where the positions of the point interactions are stabilized and fixed, which can reproduce the experimental values of the quark masses precisely enough, while the charged lepton part is less relevant. We also show that possible mixings among the charged leptons will improve the situation significantly. © 2019 The Author(s) 2019. Published by Oxford University Press on behalf of the Physical Society of Japan.