Cotton University

Charge Transfer (CT) molecular complexes have recently received much attention in a broad variety of fields. The time‐dependent density functional theory (TDDFT), which is essential for studying CT complexes, is a well‐established tool to study the excited states of relatively large molecular systems. However, when dealing with donor−acceptor molecules with CT characteristics, TDDFT calculations based on standard functionals can severely underestimate the excitation energies. Here, we demonstrate that TDDFT can reliably be used for the calculations of the excitation energies of charge transfer molecular complexes, such as, Ar‐TCNE (TCNE = tetracyanoethylene; Ar= benzene, naphthalene, anthracene, etc.) when using range‐separated DFT and range‐separated double‐hybrid DFT functionals. The interactions between the donor‐acceptor moieties of these molecular complexes are also studied and the relationship between the interaction and the charge transfer energies are shown here.

This study reports the synthesis and application of a polythiophene–iron oxide (PTh‐Fe⁰‐Fe2O3) nanocomposite as a highly effective catalyst for the selective reduction of nitro aromatics in an aqueous environment. The nanocomposite was synthesized using in situ chemical polymerization, with Fe⁰‐Fe2O3 nanoparticles created from ferric chloride solution using Camellia sinensis leaf extract as a reducing and stabilizing agent at room temperature. Characterization techniques, including XRD, FTIR, SEM–EDX, TEM, XPS, and UV–Vis spectroscopy, confirmed the successful integration of Fe⁰‐Fe2O3 into the polythiophene matrix. The nanocomposite demonstrated higher electrical conductivity compared to PTh alone, ranging from 20 S/cm at 313 K to 53 S/cm at 373 K. Magnetic studies indicated a saturation magnetization of 23.1 emu/g, lower than the 42.6 emu/g of Fe⁰‐Fe2O3 nanoparticles, attributed to the non‐magnetic nature of PTh. Under optimal conditions (4‐nitrobenzaldehyde [1 mmol], catalyst [0.04 g], and water [5 mL] in air), the catalyst achieved a 94% yield in the reduction of nitrobenzenes within 7 h, demonstrating broad applicability and retaining significant catalytic activity over six cycles. Furthermore, the PTh‐ Fe⁰‐Fe2O3 nanocomposite exhibited notable methanol gas sensing capabilities, with a sensitivity of 52.6 at 200‐ppm methanol. The sensor exhibited a response time of 60 s and a recovery time of 80 s, attributed to its n‐type semiconductor characteristics and abundant oxidative‐reductive sites. Computational studies supported the methanol sensing mechanism, highlighting significant O… S interactions and stable non‐covalent interactions between methanol and the nanocomposite. This study is the first to introduce a novel magnetic nanocatalyst for the cost‐effective and eco‐friendly reduction of nitroarenes, while also demonstrating its applicability in gas sensing. The research highlights an environmentally sustainable synthesis process and enhanced material properties, showcasing the nanocatalyst's potential for diverse applications.

In our work, we constructed an inverse seesaw(2,3) model using the modular invariance approach. The predictability of the model is enhanced and the number of flavon fields reduced by using this modular invariance approach. Here, we have used the S 4 modular group to assist us design the model. Within the present framework, the neutrino phenomenology can be studied with the help of the non-trivial transformation of Yukawa couplings. The right-handed neutrino mass can be experimentally verified by reducing it to the TeV range via the application of the inverse seesaw mechanism. In this work, we build the neutrino mass matrix and explain about the neutrino mixing phenomena. We show that the obtained CP violating phase and mixing angles are compatible with the observed 3σ ranges of existing neutrino oscillation data.

The present work is interested in investigating the impacts of chemical reaction, magnetic field, thermal radiation, heat sink, and thermal diffusion on a steady two‐dimensional MHD convection‐free heat and mass transfer flow past a semi‐infinite upright porous plate. The dimensionless domain equations are solved analytically using the perturbation technique for two distinct scenarios: (a) small suction and (b) large suction. The effects of various crucial parameters on velocity, temperature, concentration, as well as on the skin friction, Nusselt number, and Sherwood number are graphically illustrated, and the subsequent discussion is rooted on the derived outcomes. Graphical representations were created utilizing MATLAB software. The results suggest that an increase in the Soret effect elevates both the momentum and concentration boundary layers while reducing the mass transfer rate, regardless of the suction intensity. Our research also identified a captivating result where fluid velocity escalates with higher magnetic values in the scenario of large suction, while it demonstrates contrasting behavior under small suction condition. The present investigation holds significant relevance across various industrial sectors, including uranium enrichment, petrology, petroleum reservoirs, polymer fractionation, among others.

The current study aims to precisely solve the problem of three‐dimensional (3D) magnetohydrodynamics (MHDs) natural convective flow of a viscous, incompressible, electrically conducting, nongray, optically thick fluid past a uniformly moving porous vertical plate with variable sinusoidal suction in the slip flow regime, considering thermal diffusion, diffusion‐thermo, and thermal radiation. The incorporation of variable sinusoidal suction with variable amplitude in a slip flow regime in 3D MHD natural convective flow across a uniformly moving porous vertical plate is the novelty of the present work. Into the fluid region, a uniform transverse magnetic field is applied. Using Rosseland approximation, the flux appearing in the energy equation can be described. At the plate, solutal, thermal, and momentum slip are taken into account. The equations governing the flow model are solved using the asymptotic series expansion method. Since sinusoidal suction creates a 3D flow, the flow is 3D. Through figures and tables, we discuss the effects of different parameters on flow and transport characteristics. The magnetic body force, or Lorentz force, is produced when a magnetic field and fluid velocity interact. Because of this force's resistance to the flow, the fluid's velocity drops. A greater amount of mass diffusivity results in an increase in the concentration profile. An increase in thermal diffusivity raises the temperature field. The rate of heat transmission is reduced by higher thermal diffusivity. The mass transfer accelerates as fluid viscosity rises because the fluid's viscosity increases along with the Schmidt number. Skin friction reduces by 0.5% when the Soret number rises by one unit. The rate of mass transfer is enhanced with a growing Reynolds number or low viscosity.

Plant has an inherent or induced immunity to counter any abiotic or biotic stress. Such a response is possible due to physiological, molecular and cellular adaptations. Combined effect of abiotic and biotic stress can provoke cross-tolerance in plants, which may be synergistic and antagonistic with the involvement of protein kinases, transcription factors, phytohormones, and reactive oxygen species (ROS). Priming of a plant’s immune system leads to the accumulation of certain biomolecules like phytoalexins and PR proteins inside the plant system. Exogenous application of beta-aminobutyric acid, benzothiadiazole, azelaic acid has been reported to prime immune system in plants. Indian tea industry holds a vital position in the Indian economy. However, there is enormous crop loss yearly due to biotic and abiotic stress in tea. This happens despite using recommended agrochemicals and disease-resistant tea cultivars. Non judicious chemical practices have created environmental pollution and deposition of pesticide residues in made tea. Therefore, sustainable approach of tea improvement is of utmost requirement. This can be done by screening biomolecules followed by identifying their pathway genes responsible for enhanced cross-tolerance in tea plant. Then the candidate gene(s) can be over-expressed by transgenic approach. In the present review, we aim to address two important issues: (i) molecular approach to prime plant’s immune system, and (ii) sustainable approach to encounter abiotic and biotic stresses in tea plant by priming its immune system.

This article presents the synthesis of a novel mononuclear Co (II) complex [Co(9‐BuA)2Cl2] (1), its characterization, supramolecular packing pattern, theoretical calculations, anticancer properties, and molecular docking studies. Complex 1 was generated from 9‐butyl adenine (9‐BuA) building block and characterized by spectroscopic methods (FT‐IR, mass, elemental analysis) and single crystal X‐ray diffraction analysis. The cobalt (II) ion in complex 1 is distorted in its tetrahedral environment. The Co⁺² is coordinated to the two rare N1 binding sites of the pyrimidinate moiety of two 9‐BuA ligands and two chlorine atoms occupying the axial positions. Both intramolecular and intermolecular hydrogen bonds support the formation of supramolecular assembly and stabilize the crystal structure. The nature of the intermolecular interactions in the supramolecular network was also decoded by Hirshfeld surface analysis and molecular surface contours (dnorm). The percentage contributions are represented by 2D fingerprint plots. The average energy between dimers was determined by the energy framework analysis, and the crystal packing's three‐dimensional topology was also investigated. Density functional theory (DFT) has been used to ascertain the geometry and interactions in the complex. The cytotoxic effects of Co (II) complex 1 and corresponding 9‐BuA ligand were investigated in Dalton's lymphoma (DL) malignant cancer cells and on normal peripheral blood mononuclear cells (PBMCs) to evaluate their anticancer activity. Finally, molecular docking analyses have been carried out to analyze the nature of molecular interactions between Co (II) complex 1 and the receptor.

The key objective of this analysis is to investigate the impacts of diffusion-thermo and radiation absorption on rotating MHD free convective flow under simultaneous ramped conditions in the presence of Hall currents. Utilizing the Heaviside step function, the non-dimensional domain equations are solved by adopting a closed form of the Laplace transform method technique. Both graphical and tabular representations are presented to illustrate the physical characteristics of various flow parameters influencing the problem. The graphs are created using MATLAB computational tools. The results demonstrate that, for ramped condition, an increase in the Dufour number and radiation absorption parameter reduces the rate of heat transfer by 86.7% and 21.5%, respectively, whereas in the isothermal case, the reductions are 69.9% and 64.2%. It is also noted that an augmentation in the ramped parameter leads to increased rates of momentum, as well as heat and mass transfer. Moreover, our research uncovered a fascinating result that fluid velocity increases with higher magnetic parameter values, a phenomenon rarely addressed in existing literature.

Spatio-temporal assessment of the evolution and morphodynamics of the Brahmaputra River (BR) can contribute significantly in mitigating challenges offered by rapid urbanisation and climate change. The present remote sensing and geographic information system (RS and GIS) based analysis of the BR revealed an increased Braiding Intensity (BI) from 1976 to 2000, which declined in 2010, and re-emerged in 2020. The average maximum width of the river has generally widened over time and sandbar distribution has exhibited fluctuations. The overall active channel area increased by 1.5 times, and the sandbar area expanded by 1.2 times between 1976 and 2020. The interplay between braiding intensity and width reveals a positive relationship. The sandbar-water ratio reveals a significant prevalence of sandbars in the Brahmaputra River. Furthermore, the study highlights changes in the Bar Development Index (BDI), showing a significant increase in micro-bars and meso-bars but a decrease in macro-bars. With the approach of change detection, key factors observed within the river driving the changes are erosion, channel bifurcations, sandbar formation due to sediment deposition, and sandbar loss due to shifts in channel course. These characteristics are potentially influenced by high water and sediment influx, climate change, and anthropological activities.

The search for effective treatment against Duck Enteritis Virus (DEV) remains a significant challenge in veterinary medicine. In this study, a total of 74 and 60 compounds identified from GC–MS analysis of alcoholic extracts of Phlogacanthus thyrsiformis and Tinospora cordifolia respectively were screened for their binding affinity and interactions with selected DEV proteins to find potential viral inhibitors. The 3D structure of six viral proteins namely pUL54, thymidine kinase, DNA polymerase, membrane glycoproteins gC and gE, and pUL48, were modelled by Modeller 9v9. Docking was performed using Autodock Vina. While many compounds demonstrated favourable binding affinity, this study identified some compounds with better binding affinity against one or multiple targets. Eudesma-4(15),7-dien-1-beta–ol, and Cholane-5,20(22)-diene-3b-phenoxy from P.thyrsiformis revealed a docking score of − 10.5 kcal/mol against thymidine kinase. Among phytocomponents showing affinity to multiple viral targets, 3-Oxatricyclo[20.8.0.0(7,16)]triaconta-1(22),7(16),9,13,23,29-hexaene displayed better binding energy ranging from − 9.3 to − 9.7 kcal/mol against five target proteins. beta-Amyrone from P. thyrsiformis showed a docking score of − 8.6 kcal/mol, 9.7 kcal/mol and − 9.3 kcal/mol with DNA polymerase, pUL48 and pUL54 respectively, while Urs-12-en-28-al from T.cordifolia, showed promising docking scores of -9.7 kcal/mol, − 9.2 kcal/mol, − 9.5 kcal/mol for DNA polymerase, pUL48 and pUL54 respectively. The identification of potential DEV inhibitors through computational analysis paves the way for future experimental validations to unravel the intricate dynamics of these interactions.

The onset of menstruation is a landmark event in women’s life which is known to bring many psychological and emotional changes along with physical changes. In many countries, particularly in developing and emerging countries, such as India, it also brings various challenges for women to manage menstruation hygienically. Studies have often highlighted several well-known practical and physical barriers to Menstrual Health and Hygiene Management (MHHM); e.g., lack of WASH (Water, Sanitation and Hygiene) facilities, lack of affordable menstrual absorbents, and so on. However, there are also some psychological and emotional barriers; such as, trauma of menarche, feelings of embarrassment, stress, anxiety, and shame. These psychological and emotional barriers are known to create tremendous psychological burden for millions of girls while managing their menstruation. However, these challenges and their impact on women’s psychological well-being are relatively less acknowledged and ill-understood. The study was conducted in Assam, India, with a sample of 185 adolescent girls (10-19 years) who participated in 21 Focused Group Discussions (FGDs). Findings show that mostly girls were unaware about menstruation before menarche; their first encounter with menarche was traumatic. Lack of adequate guidance and counselling even after menarche result in significant mental pressure among girls. Several cultural and religious restrictions, feelings of shame and embarrassment, myths and misconceptions associated with menstruation were mentioned. The study concludes that the emotional and psychological barriers of MHHM are preventable by improving the channels of proper guidance and counselling about menstruation in a supportive environment. The study suggests some interventions for the same.

Study on the ‘urban’ settlements and the process of ‘urbanization’ in historical contexts has been one of the major research concerns in South Asian archaeology and history. Discussions and debates on the genesis and growth of ‘urban’ centres in different phases of India’s past have provided us with a varied set of parameters to understand the nuances of urban phenomenon in different geographical settings and cultural contexts. Researches on the settlement history and urbanization of the Brahmaputra valley has received limited attention till the end of the twentieth century. With a number of inscriptions being studied and explorations and excavations conducted at different archaeological sites, our understanding of the problems of early settlements, the beginning of state formation, urban centres and urbanization, contexts and chronology of historical sites is being improved and refined. This paper emphasises the need for defining ‘urban’ and ‘urbanization’ in the context of the Brahmaputra Valley with new data. Case studies on recent researches conducted at the Krishnai-Dudhnoi-Brahmaputra confluence and Guwahati including its northern part are made to understand the early medieval urban settlements and their features. The role of rice agriculture in agrarian economy and in the development of an urban space is also underlined in the discussion.

The intersection non-simple graph, denoted by INS(G), of a finite abelian group G is an undirected graph whose vertex set is the collection of all proper non-trivial subgroups of G, and any two distinct vertices are adjacent if and only if their intersection is not a simple subgroup of G. We obtain some properties of INS(G) related to connectedness, completeness, degree, and girth. The concepts of bipartiteness, triangle-free, cluster, claw-free and cograph are taken into consideration. We also investigate the clique number, independence number, domination number, and planarity of INS(G).

Electronic structure of carbon suboxide, C3O2, has been recently described as OC→C←CO having two lone pairs at the central carbon atom, thereby called as “Carbones”. Although it has a linear geometry, the presence of two lone pairs comes to fore when its reactivity is analyzed with two protons. However, no attention had been paid on its alternating reactivity with hydride ions. Herein, detailed quantum chemical calculations predict that carbon suboxide can also have significant hydride ion affinity. This reactivity is in tune with σ⁰π² carbene character of carbon suboxide. This study also shows that such a σ⁰π² carbene character is also prevalent in carbodiphosphorane, C(PH3)2. This bonding situation has been hitherto unexplored in “Carbone” chemistry.

The development of green products has gained attention thanks to recent developments in materials science, nanotechnology, and ecological awareness. Due to their inherent biocompatibility, lignocellulosic biomaterials excite the biomedical industry. They simultaneously function as a component of biosystems and provide a wide range of attributes and accessibility. Typically, lignocellulosic biomaterials, such as wood which consist of 35–50 wt% of cellulose, 20–35 wt% of hemicellulose, and 10–25 wt% lignin in their natural condition. Long ago, cellulose has been employed in gauzes to cure wounds; today, nanotechnology has opened up many opportunities for a variety of applications for cellulose, including tissue engineering scaffolds, cell regeneration implants, and cell labelling. Both collagen and cellulose are significant components of extracellular matrixes. Similarly, having a particular advantage, hemicellulose functions exceptionally well in drug delivery systems, and because of its chemical variation, lignin is an excellent source of bioactive components, exhibits antioxidant activity, and may be utilized to treat pathogens. The use of LCB nanomaterial in treatments and diagnostics for bettering health is well known. This is frequently used in wound dressing, anti-allergy textiles, tissue engineering, regenerative medicine, and controlled medication delivery. The conversion of lignin and cellulose polymers into nanoparticles and their uses in treatments and diagnostics are covered in this article. Several pertinent lignocellulosic polymeric applications in the field of medicine are covered in this chapter. The uses of bacterial nanocellulose, which shares the same chemical structure as vegetable cellulose but possesses certain unique qualities, particularly those vital in the biomedical industry, will also be highlighted.

Cellulose, being the ubiquitous polysaccharide on earth, has received tremendous applications because of its abundant availability, renewability, biodegradability, biocompatibility, low toxicity, and good mechanical and chemical properties. However, it is worth noting that in its natural form, cellulose is rarely used for industrial applications. By exploiting it at the nanoscale level, cellulose-based nanocomposite can be prepared. Nanocomposites are materials that combine two or more components at the nanoscale level and can exhibit enhanced properties compared to their native components. The unique physicochemical properties of these nanocomposites include enhanced mechanical and thermal properties, such as increased stiffness, strength, toughness, high melting temperature, and better thermal stability. These nanocomposites are in high demand in biomedical fields such as wound healing, tissue engineering, 3D printing, drug delivery, medical implants, and many more. In this book chapter, we have summarized very briefly the synthesis of different nanocellulose and their properties, different methods used to fabricate cellulose nanocomposite, and their applications, especially in tissue engineering. Eventually, various challenges and the prospects of cellulose-based nanocomposite in tissue engineering are summarized.

5G cellular network is becoming a preferred choice for future deployments of IoT, due to its flexibility, low latency and high bandwidth. It has introduced small cells like femtocells, picocells and microcells to provide higher bandwidth. However, small cells have less signalling coverage, which leads to frequent handover authentication. Therefore, for seamless mobility in 5G cellular network, the existing handover authentication process, which is referred to as ‘5G-Handover-AKA’ in this paper and illustrated in section 6.9.2.3.2 of the 3GPP technical specification TS 33.501, should be made faster. It also has to be made efficient, considering the resource constraints of IoT devices. In this paper, we propose a blockchain based fast and secure handover authentication scheme for 5G cellular network. Unlike 5G-Handover-AKA, the proposed protocol is designed to be robust against security attacks like false base station attack and key compromise attack. While informal security analysis shows the scheme to be robust against various security attacks like de-synchronization attack, eavesdropping attack, denial of service attack, etc., formal security analysis using BAN logic and Scyther tool shows that the scheme meets all the security goals. Performance analysis of the scheme shows that it achieves its goals with 15.84% lesser communication overhead and 18.08% lesser computation overhead at the resource constrained IoT device in comparison to 5G-Handover-AKA.

In this work, we have formulated a new class of traversable wormhole metrics. Initially, we have considered a wormhole metric in which the temporal component is an exponential function of r but the spatial components of the metrics are fixed. Following that, we have again constructed a generalized wormhole metric in which the spatial component is an exponential function of r , but the temporal component is fixed. Finally, we have considered the generalized wormhole metric in which both the temporal and spatial components are generalized exponential functions of r . We have also studied some of their properties including throat radius, stability, and energy conditions, examined singularity, the metric in curvature coordinates, effective refractive index, innermost stable circular orbit (ISCO) and photon sphere, Regge–Wheeler potential and their quasinormal modes, gravitational entropy, and determined the curvature tensor. The radius of the throat is found to be consistent with the properties of wormholes and does not contain any types of singularities. Most interestingly, we find that their throat radius is the same for the same spatial component and the same range of values of m . In addition to these, they also violate the Null Energy Condition (NEC) near the throat. These newly constructed metrics form a new class of traversable wormholes.