Lakshminath Bezbaroa Central Library Digital Repository
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Recent Submissions
Applicability of Graphene Oxide-based Membranes in Separation Processes: A Molecular Dynamics Simulation Study
(2024) Reddy, Pilli Rajasekhar
In the past decade, multilayered graphene oxide (GO) membranes have emerged as promising candidates for desalination and wastewater treatment applications. Despite their potential, a comprehensive understanding of separation mechanisms remains elusive due to the intricate morphology and structural arrangement of interlayer galleries. This thesis addresses these challenges by constructing two distinct structural configurations, namely lamellar and non-lamellar, to investigate separation mechanisms at the atomistic level. Moreover, one major issue with layered GO membranes is their tendency to swell in an aqueous environment. Recognizing the tendency of layered GO membranes to swell in aqueous environments, this thesis explores cation intercalation within interlayer galleries as a promising solution to mitigate this problem. The applicability of lamellar, non-lamellar, and cation-intercalated GO membranes as forward osmosis (FO) and reverse osmosis (RO) membranes in separation and purification applications is studied using non-equilibrium molecular dynamics (MD) simulations. Real-life scenarios, including seawater, pharmaceutical industrial wastewater, shale gas wastewater, and human urine are considered to assess the performance of GO membranes. These GO membranes exhibit an improved trade-off between water permeance and selectivity compared to conventional polymeric membranes. This enhanced performance is attributed to the inherent structural characteristics of GO membranes, such as nanosized 2D channels and open edges, which enable the rapid movement of water molecules across membrane layers while efficiently retaining undesired species. Additionally, the nanosized GO nanosheets have abundant oxygen-containing functional groups (OFGs), enhancing their mechanical strength and chemical stability.
Novel Bosonization Techniques in One Dimension
(2024) Babu, Nikhil Danny
In this work, the most singular contribution to the density density correlation functions (DDCF) of strongly
inhomogeneous Luttinger liquids is derived and is shown to be expressible as compact analytical functions of position and time with second order poles and involving the scale independent bare reflection and transmission coefficients. The results are validated on comparison with standard fermionic perturbation theory. The DDCF is a crucial input to the powerful non-chiral bosonization technique (NCBT) that has been successfully used to obtain the correlation functions of inhomogeneous systems in one dimension whilst treating the impurity backscattering non-perturbatively, unlike conventional methods. The exact dynamical non-equilibrium Green functions (NEGF) for a system of noninteracting chiral quantum wires coupled through a point-contact is obtained analytically. The system considered is isomorphic to integer quantum Hall (IQHE) edge states coupled through a point-contact constriction. The tunneling I-V characteristics is obtained for an arbitrary time-dependent bias in the case of infinite bandwidth in the pointcontact.
The case of finite bandwidth in the point-contact is also studied and non-Markovian transients in the
tunneling current is observed upon sudden switch on of a bias voltage. The transient phenomena is consistent with numerical simulations and is observed to be a consequence of the appearance of a short distance cutoff in the problem when a finite bandwidth is considered. In a subsequent work, an unconventional bosonization procedure similar to NCBT is introduced, and is used to reproduce the exact NEGF of noninteracting chiral quantum wires coupled through a point-contact driven out of equilibrium by application of a bias. The novel unconventional bosonization scheme is shown to be internally consistent with Wick’s theorem used to obtain four-point functions. The proposed bosonization procedure can be extended to the case of fractional quantum Hall (FQHE) edge states with a point-contact wherein interparticle interactions become important. The FQHE edge states with single channel edge modes like in the Laughlin series, are modelled as chiral Luttinger liquids. In subsequent works, the DDCF for chiral Luttinger liquids with an impurity is computed using a generating functional method and is shown to be
consistent with fermionic perturbation theory. The obtained interacting DDCF is used in conjunction with the
unconventional bosonization procedure to derive the tunneling density of states (TDOS) at the point-contact for electron tunneling and quasiparticle tunneling cases, and the results agree with the accepted literature, thereby demonstrating the utility of the novel bosonization procedure in obtaining non-perturbatively, the correlation functions (most singular part) of inhomogeneous systems in one dimension.
Harnessing the Nitrile Functionality to Heterocycles via Thermal and Photochemical Strategies
(2024) Dhara, Hirendra Nath
The Ph.D. thesis, “Harnessing the Nitrile Functionality to Heterocycles via Thermal and Photochemical Strategies,” focuses on the synthesis of biologically relevant heterocycles and is divided into five chapters, including an introduction.
Reactivity of Co(III)-peroxo Complexes with NO and Co(II)-nitrosyl with H2O2: Putative Formation of Co-peroxynitrite
(2024) Samanta, Bapan
This thesis broadly covers our endeavor to understand both the reactivity of peroxo complexes of Co(III) with NO in non heme ligand frameworks, L1, L2, L3 and nitrosyl complex of Co(II) with reduced oxygen species, H2O2 in heme ligand framework, TTMPP2- respectively. These complexes were synthesized by varying bidentate, symmetric tetradentate, asymmetric tetradentate and square planar ligand framework. The change of reactivity pattern with ligand denticity has been studied. The reactivity of Co(III)-peroxo complexes with NO was discussed in chapters 2-4, following an attempt to mimic the mechanism of the nitric oxide dioxygenase (NOD) enzyme. In every case, formation of putative peroxynitrite intermediate was observed. Efforts were made to identify and characterized the associated intermediates that form during the course of the reaction. For instance, in chapter 2, putative formation of Co(II)-peroxynitrite intermediate was observed using a bidentate ligand framework and finally it isomerizes to the corresponding nitrate complex. In chapter 3 and 4, formation of Co(II)-peroxynitrite intermediates were observed using symmetric and asymmetric tetradentate ligand frameworks, respectively. In case of chapter 3 and chapter 4, different decomposition products were obtained i.e corresponding nitrate and nitrite complexes respectively.
Role of HSPA8 in pathological outcomes in the host during malaria
(2024) Pandey, Alok Kumar
Hemolytic diseases like malaria encompass a group of disorders characterized by hemolysis or accelerated destruction of red blood cells (RBCs). Hemolysis leads to the release of Hemoglobin and its derived products like methemoglobin, free heme, hematin, and hemin in the plasma. Although normal hemin levels are crucial for governing many physiological processes, hemin accumulation to abnormal levels is highly toxic to the corresponding cells, tissue, or organs and contributes to the various pathological outcomes of malaria.