Cobalt- and Nickel-containing enzyme constructs from the sequences of methanogens

Aim. The conserved domain of sequences revealed in methanogens is considered for designing enzymes among which the attention has been focused on the metalloenzymes showing evolutionary significances. Methods. Molecular evolution, molecular modelling and molecular docking methods. Results. Molecular evolutionary hypothesis has been applied for designing cobalt-containing sirohydrocholine cobalt chelatase and nickel-containing coenzyme F420 non-reducing hydrogenase from conserved domains encompassing metaland substrate-binding sites. It was hypothesized that if any enzyme has similar or identical conserved domain in its catalytic region, the construct can bring similar catalytic activity. Using this approach, the region which covers such functional module has to be modeled for yielding enzyme constructs. The present approach has provided a high likelihood to design stable metalloenzyme constructs from the sequences of methanogens due to their low functional divergence. The resulted enzyme constructs have shown diverse reaction specificity and binding affinity with respective substrates. Conclusions. It seems to provide a new knowledge on understanding the catalytic competence as well as substrate-specificity of enzyme constructs. The resulted enzyme constructs could be experimentally reliable as the sequences originally driven from methanogenic archaea

Development of an In house Computer Code for the Simulation of Detonation Shock Dynamics in Underwater Explosion Scenario

Detonation Shock Dynamics (DSD), involved in an underwater explosion scenario is numerically simulated by an in-house computer code, ‘DSSDYN’. The simulation is based on Chapman-Jouguet (CJ) theory, formulated in Arbitrary Lagrangian Eulerian frame work. Specifically, the propagation of detonation front is simulated with‘Burn Fraction Model’. The classical burn fraction model is improved for achieving better computational efficiency. The simulation capability of DSS-DYN is demonstrated through a case study on explosion of PETN charge under the deep-water medium.Through this study, the salient features of DSD with better insight have been brought out. Besides, the physical parameters, such as work potential of PETN, are predicted efficiently.The apportionment of energy distributions indicates that about 70 % of chemical energy of explosive is transmitted to the surrounding water that is the major contribution of damage potential of the explosive. The predictions of peak velocity and peak pressure values by DSS-DYN and LS-DYNA show satisfactory comparison.DSS-DYN consumes lesser computational time (~1h), compared to LS-DYNA (~3h)

Development of FPGA Based System for Neutron Flux Monitoring in Fast Breeder Reactors

The project aims to calculate the frequency of the neutron flux by monitoring the signal from neutron detector from shutdown to full power over 10 decades. This neutron flux signal is input to the FPGA based MODULE. A mathematical relationship has been established between the neutron flux (frequency of the neutrons) and the area under the signal. Variable amplitude and occurrence have been accounted for. White noise has also been added and tested for.  VHDL has been used to simplify the otherwise complicated logic gate design. Mathematical modeling has been used as it is the most accurate of the available methods. Index Terms --  Neutron flux monitoring, area, pulse

Thermo Mechanical Analysis of Hard Faced Circular Grid Plate

In this paper, plasma transfer arc welding of hard faced circular grid plate was studied. Hard face deposition made by Plasma Transferred Arc Welding (PTAW) on grid plate at relatively high temperature, generates residual stresses due to differential shrinkage of the molten deposit, process-induced thermal gradients and difference in coefficients of thermal expansion between the deposit and base material. However, the magnitude and distribution of the residual stresses vary depending on the preheat temperature, heat input, deposition process, and the geometry of the component. Finite element analysis of residual stress is performed with commercial FEA package ANSYS 12.0 which includes moving heat source, material deposit, temperature dependent material properties, metal plasticity and elasticity. Coupled thermo-mechanical analysis is done for welding simulation and the element birth and death technique is employed for simulation of filler metal deposition

Current scenario on computer-aided metalloenzymes designing

The metalloenzymes are proteins with enzymatic activity which contain metals tightly bound in their active sites to display a chemical action. This review describes the recent developments and success of using computational methods and algorithmsfor designing industrial enzymes. A recent approach based on functional amino acids or peptides as characteristic molecular moieties and their conservations, has led to a significant expansion of the field of enzyme designing or enzyme mimics. Evolutionary conservation is accounted to consider designing enzymes while the metalloenzymes are a major concern due to their extensive role in catalytic activity and stability. The enzymes from methanogens may provide useful biocatalysts and may be even more valuable for biotransformation reactions, but their biotechnological applications are restricted. Therefore, a method based on the evolutionary hypothesis of conserved domain ofsequences obtained from methanogens would make a significant interest in synthetic enzyme biotechnology. Keywords: metalloenzymes designing, methanogens, evolutionary conservation.Металоферменти – це білки, що функціонують як ферменти. Вони містять метали, які взаємодіють в активних сайтах, що забезпечує їхню хімічну активність. У представленому огляді описано останні розробки та успішне застосування комп’ютерних методів і алгоритмів для конструювання промислових ферментів. Використання сучасного підходу на основі функціональних амінокислот або пептидів як характерних молекулярних компонентів та їхньої консервативності дозволило значно розширити сферу конструювання або імітування ферментів. Еволюційна консервативність важлива при конструюванні ферментів, серед яких основну зацікавленість представляють металоферменти через їхню суттєву роль у каталітичній активності та стабільності. Ферменти метаногенів можуть слугувати біокаталізаторами і навіть бути ціннішими для реакцій біотрансформації, однак їхнє застосування у біотехнології обмежене. Зважаючи на це, метод, оснований на еволюційній гіпотезі про консервативний домен послідовностей, отриманих із метаногенів, може стати корисним у сфері біотехнології синтетичних ферментів. Ключові слова: комп’ютерне конструювання металоферменти, метаногени, еволюційна консервативність.Металоферменти – це білки, що функціонують як ферменти. Вони містять метали, які взаємодіють в активних сайтах, що забезпечує їхню хімічну активність. У представленому огляді описано останні розробки та успішне застосування комп’ютерних методів і алгоритмів для конструювання промислових ферментів. Використання сучасного підходу на основі функціональних амінокислот або пептидів як характерних молекулярних компонентів та їхньої консервативності дозволило значно розширити сферу конструювання або імітування ферментів. Еволюційна консервативність важлива при конструюванні ферментів, серед яких основну зацікавленість представляють металоферменти через їхню суттєву роль у каталітичній активності та стабільності. Ферменти метаногенів можуть слугувати біокаталізаторами і навіть бути ціннішими для реакцій біотрансформації, однак їхнє застосування у біотехнології обмежене. Зважаючи на це, метод, оснований на еволюційній гіпотезі про консервативний домен послідовностей, отриманих із метаногенів, може стати корисним у сфері біотехнології синтетичних ферментів. Ключові слова: комп’ютерне конструювання металоферменти, метаногени, еволюційна консервативність

Prediction of Mechanical Response of Nickel based Superalloy Subjected to Creep Fatigue Interaction Loading using Unified Mechanics Theory

In order to simulate and predict material's real-time responses for a component under complex mechanical and thermal loads, continuum damage mechanics (CDM) is employed. However, majority of the models found in the literature are phenomenological and primarily based on curve fitting, which offer limited understanding of the underlying physics of the problem. A few physics-based models have been developed that provide greater insights. Unified mechanics theory (UMT) is one such approach that captures entropy generation due to various dissipative mechanism which aims to explain the physics of the problem. During hold time in strain-controlled creep-fatigue interaction loading, stress relaxation is observed. This study attempts to capture stress relaxation response due to creep-fatigue interaction of nickel-based superalloys using UMT, which is regarded as a more scientific method than simply fitting curves. The evolution of creep strain energy with hold time is used to understand how material ages over time due to stress relaxation during creep-fatigue interaction loading

A Review of Full-Sized Autonomous Racing Vehicle Sensor Architecture

In the landscape of technological innovation, autonomous racing is a dynamic and challenging domain that not only pushes the limits of technology, but also plays a crucial role in advancing and fostering a greater acceptance of autonomous systems. This paper thoroughly explores challenges and advances in autonomous racing vehicle design and performance, focusing on Roborace and the Indy Autonomous Challenge (IAC). This review provides a detailed analysis of sensor setups, architectural nuances, and test metrics on these cutting-edge platforms. In Roborace, the evolution from Devbot 1.0 to Robocar and Devbot 2.0 is detailed, revealing insights into sensor configurations and performance outcomes. The examination extends to the IAC, which is dedicated to high-speed self-driving vehicles, emphasizing developmental trajectories and sensor adaptations. By reviewing these platforms, the analysis provides valuable insight into autonomous driving racing, contributing to a broader understanding of sensor architectures and the challenges faced. This review supports future advances in full-scale autonomous racing technology

Stress Indices for Non-Radial Branch Connections for Piping

AbstractProcedure for determining the stress indices for non radial branch connections is discussed. A typical non radial branch connection, commonly used in the piping system of FRFCF is modeled and analyzed using CAST-3M for calculation various stress indices for the connection. B2 Stress indices for the branch connection for in plane bending and out of plane bending is arrived at based on nonlinear finite element analysis and limit load approach. K2 factor is determined using Peterson's curve, based on the curvature at the junction of run pipe and branch connection. Stress index C2 and the stress intensification factor i are determined by employing the relations of these factors with other stress indices

A Unified Mechanics Theory based Damage Model for Creep in Nickel based Superalloys

Unified Mechanics Theory’s (UMT) entropy-based damage parameter, also known as the “Thermodynamic State Index” has been proven to be consistent and useful in predicting the fatigue life of different metal alloys. In recent times, studies have also demonstrated its applicability towards creep damage in nickel-based superalloys under a limited set of conditions. However, the usefulness of the “Thermodynamic State Index” in estimating damage at different temperatures, and creep loads for different metal alloys has not been evaluated yet. In this paper, creep in INCONEL 600 alloy is modeled using Norton’s creep law modified with entropy-based damage (Thermodynamic State Index). The model is calibrated to predict both damage and creep strains for any given input of stress, temperature, and time. The available database on INCONEL 600 is used in parts to both calibrate and validate the prescribed model. The damage evolution for different cases is compared and imminent conclusions are drawn