Computational studies of hole/electron transport in positional isomers of linear oligo-thienoacenes: Evaluation of internal reorganization energies using density functional theory

Thomas, A.,Chitumalla, R.K.,Puyad, A.L.,Mohan, K.V.,Jang, J. Elsevier Scientific Pub. Co 2016 Computational & theoretical chemistry Vol.1089 No.-

<P>The paper computationally investigates and compares the internal reorganization energies associated with the intermolecular transport of a hole and electron in a series of positional isomers of fused planar acenodithiophenes (S(n)a-c) with those of linear acenes (LA(n)). In particular, it is observed that, amongst the positional isomers, the para isomers (S(n)c) have got ultra-small reorganization energies than the other two positional isomers. The non-bonding character of frontier molecular orbitals (FMO) of these para isomers is the main reason for the existence of this phenomenon. Secondly, the nonbonding character in the FMO of these molecules is mediated by their open shell singlet biradical nature in ground state, as revealed by the Spin-flip time dependent density functional theory analysis. These aforementioned findings and characteristics of S(n)c series of molecules, strongly recommend that these molecules if synthesized will show high charge carrier mobility. Also we have revealed that biradicaloid nature of a molecule is new interesting design factor to achieve low reorganization energies. (C) 2016 Elsevier B.V. All rights reserved.</P>

Clinical Implication of EGF A61G Polymorphism in the Risk of Non Small Cell Lung Adenocarcinoma Patients: A Case Control Study

Masroor, Mirza,Amit, Jain,Javid, Jamsheed,Mir, Rashid,Prasant, Y,Imtiyaz, A,Mariyam, Z,Mohan, Anant,Ray, PC,Saxena, Alpana Asian Pacific Journal of Cancer Prevention 2015 Asian Pacific journal of cancer prevention Vol.16 No.17

Background: The epidermal growth factor (EGF) plays important roles in non-small cell lung cancer (NSCLC) susceptibility and functional polymorphism in the EGF (+61A/G) gene has been linked to increased risk of NSCLC. This study aimed to evaluate the role of the EGF +61A/G polymorphism in risk of NSCLC adenocarcinoma (ADC) occurrence and survival in an Indian population. Materials and Methods: This casecontrol study included 100 histopathologically confirmed NSCLC (ADC) patients and 100 healthy controls. EGF (A61G) was genotyped by AS-PCR to elucidate putative associations with clinical outcomes. The association of the polymorphism with the survival of NSCLC patients was estimated by Kaplan-Meier curves. Results: It was found that EGF 61AG heterozygous and GG homozygous genotype is significantly associated with increased risk of NSCLC (ADC) occurrence compared to AA genotype, [OR 2.61 (1.31-5.18) and 3.25 (1.31-8.06), RR 1.51(1.15-2.0) and 1.72 (1.08-2.73) and RD 23.2 (6.90-39.5) and 28.53(7.0-50.1) for heterozygous AG (p=0.005) and homozygous GG (p=0.009)]. Patients homozygous for the G allele exhibited a significantly poor overall survival. The median survival time for patients with EGF 61 AA, AG, and GG genotypes was 10.5, 7.4, and 7.1 months (p=0.02), respectively. NSCLC (ADC) patients with GG + AG exhibited 7.3 months median survival compared to the AA genotype (p=0.009). Conclusions: The present study revealed that the EGF A61G genotype may be a novel independent prognostic marker to identify patients at higher risk of occurrence and an unfavourable clinical outcome.

Antimicrobial Efficacy of Allium cepa and Zingiber officinale Against the Milk-Borne Pathogen Listeria monocytogenes

Arasu Abirami,Prabha Nagaram,Devi Durga,Issac Praveen Kumar,Alarjani Khaloud Mohammed,Al Farraj Dunia A.,Aljeidi Reem A.,Tayyeb Jehad Zuhair,Guru Ajay,Arockiaraj Jesu,Mohan Magesh,Hussein Dina S. 한국미생물학회 2023 The journal of microbiology Vol.61 No.11

Listeria monocytogenes is an important food-borne pathogen that causes listeriosis and has a high case fatality rate despite its low incidence. Medicinal plants and their secondary metabolites have been identified as potential antibacterial substances, serving as replacements for synthetic chemical compounds. The present studies emphasize two significant medicinal plants, Allium cepa and Zingiber officinale, and their efficacy against L. monocytogenes. Firstly, a bacterial isolate was obtained from milk and identified through morphology and biochemical reactions. The species of the isolate were further confirmed through 16S rRNA analysis. Furthermore, polar solvents such as methanol and ethanol were used for the extraction of secondary metabolites from A. cepa and Z. officinale. Crude phytochemical components were identified using phytochemical tests, FTIR, and GC–MS. Moreover, the antibacterial activity of the crude extract and its various concentrations were tested against L. monocytogenes. Among all, A. cepa in methanolic extracts showed significant inhibitory activity. Since, the A. cepa for methanolic crude extract was used to perform autography to assess its bactericidal activity. Subsequently, molecular docking was performed to determine the specific compound inhibition. The docking results revealed that four compounds displayed strong binding affinity with the virulence factor Listeriolysin-O of L. monocytogenes. Based on the above results, it can be concluded that the medicinal plant A. cepa has potential antibacterial effects against L. monocytogenes, particularly targeting its virulence.

Analysis of High-Temperature Effects on InAs∕In0.3Al0.7As∕InSb∕In0.3Al0.7As pHEMTs on Accessing RF/Analog performance: A Machine Learning Predictive Modeling

G. Lakshmi Vara Prasad,Venkatagurunatham Naidu Kollu,M. Sailaja,S. Radhakrishnan,K. Jagan Mohan,A. Kishore Reddy,G. Rajesh Chandra 한국전기전자재료학회 2024 Transactions on Electrical and Electronic Material Vol.25 No.1

In this paper, we delve into the intriguing realm of Pseudo-morphic High Electron Mobility Transistors (pHEMTs) composed of InAs∕In0.3Al0.7As∕InSb∕In0.3Al0.7As layers, utilizing Silvaco-TCAD for simulation. Our focus centers on the assessment of RF and analog electrical characteristics, with a keen eye on the high-temperature eff ects. The influence of temperature on device performance is meticulously evaluated in comparison to a reference device operating at room temperature. Traditionally, the critical parameters such as threshold voltage ( Vth ), transconductance ( gm ), and Ion∕Ioff ratio have been calculated within the temperature range spanning from 300 K to 700 K. The primary pHEMT device in our study exhibits impressive attributes, featuring a drain current of 950 mA, a threshold voltage of -1.75 V, a high transconductance ( gm ) value of 650 mS/mm, an Ion∕Ioff ratio of 1 × 106 , a transition frequency ( ft ) soaring to 790 GHz, and a maximum frequency ( fmax ) reaching a staggering 1.4 THz. However, as we traverse the temperature spectrum, our findings unveil a compelling narrative. The impact of rising temperature is unequivocal, triggering a cascade of transformations within the device. Notably, as the temperature escalates, we observe a noticeable decrease in current, a reduction in transconductance ( gm ), and a diminishing Ion∕Ioff ratio. To unravel the intricacies of these temperature-induced effects, we introduce the infusion of Machine Learning (ML) into our analysis.

GIS based infrastructure planning of Cold Storages for Crop Preservation: a case study of Kolar District, Karnataka

A Abhinav,VA Chethan,Shruti Pancholi,P Danuta Mohan,Shaik Mohammed Rayyan,Kamal Pandey 대한공간정보학회 2022 Spatial Information Research Vol.30 No.4

Infrastructure plays a vital role in the growth, performance, and alleviating poverty of a country. India is the second-largest producer of agriculture, requires proper infrastructure like roads, storage facilities, etc. which makes the development, location, and the number of cold storages vital in reducing the expenditure for the farmers as well as ensuring food security. Kolar district, situated in the South-eastern part of Karnataka is a leading producer of fruits and vegetables and faces a shortage of proper infrastructure for agriculture. An attempt is done to use geospatial technologies for analyzing the existing cold storage facilities in the district. The study reveals that the district faces a severe shortage of cold storage and is not evenly distributed which makes the farmer travel long distances to the nearest such facility. The spatial clustering-based approach is used to propose locations for new cold storage facilities. The study reveals that the study area requires a total of 50 new cold storage distributed throughout the district and proposed cold storage facilities will reduce the maximum distance to the nearest cold storage from 50.97 km to 13.98 km.

Structural parameter estimation combining domain decomposition techniques with immune algorithm

A. Rama Mohan Rao,K. Lakshmi 국제구조공학회 2011 Smart Structures and Systems, An International Jou Vol.8 No.4

Structural system identification (SSI) is an inverse problem of difficult solution. Currently, difficulties lie in the development of algorithms which can cater to large size problems. In this paper, a parameter estimation technique based on evolutionary strategy is presented to overcome some of the difficulties encountered in using the traditional system identification methods in terms of convergence. In this paper, a non-traditional form of system identification technique employing evolutionary algorithms is proposed. In order to improve the convergence characteristics, it is proposed to employ immune algorithms which are proved to be built with superior diversification mechanism than the conventional evolutionary algorithms and are being used for several practical complex optimisation problems. In order to reduce the number of design variables, domain decomposition methods are used, where the identification process of the entire structure is carried out in multiple stages rather than in single step. The domain decomposition based methods also help in limiting the number of sensors to be employed during dynamic testing of the structure to be identified, as the process of system identification is carried out in multiple stages. A fifteen storey framed structure, truss bridge and 40 m tall microwave tower are considered as a numerical examples to demonstrate the effectiveness of the domain decomposition based structural system identification technique using immune algorithm.

An investigation into the motion and stability behaviour of a RO-RO vessel

Mohan, Poonam,Shashikala, A.P. Techno-Press 2019 Ocean systems engineering Vol.9 No.2

Studies on motion response of a vessel is of great interest to researchers, since a long time. But intensive researches on stability of vessel during motion under dynamic conditions are few. A numerical model of vessel is developed and responses are analyzed in head, beam and quartering sea conditions. Variation of response amplitude operator (RAO) of vessel based on Strip Theory for different wave heights is plotted. Validation of results was done experimentally and numerical results was considered to obtain effect of damping on vessel stability. A scale model ratio of 1:125 was used which is suitable for dimensions of wave flume at National Institute of Technology Calicut. Stability chart are developed based on Mathieu's equation of stability. Ince-Strutt chart developed can help to capture variations of stability with damping.

Structural parameter estimation combining domain decomposition techniques with immune algorithm

Rao, A. Rama Mohan,Lakshmi, K. Techno-Press 2011 Smart Structures and Systems, An International Jou Vol.8 No.4

Structural system identification (SSI) is an inverse problem of difficult solution. Currently, difficulties lie in the development of algorithms which can cater to large size problems. In this paper, a parameter estimation technique based on evolutionary strategy is presented to overcome some of the difficulties encountered in using the traditional system identification methods in terms of convergence. In this paper, a non-traditional form of system identification technique employing evolutionary algorithms is proposed. In order to improve the convergence characteristics, it is proposed to employ immune algorithms which are proved to be built with superior diversification mechanism than the conventional evolutionary algorithms and are being used for several practical complex optimisation problems. In order to reduce the number of design variables, domain decomposition methods are used, where the identification process of the entire structure is carried out in multiple stages rather than in single step. The domain decomposition based methods also help in limiting the number of sensors to be employed during dynamic testing of the structure to be identified, as the process of system identification is carried out in multiple stages. A fifteen storey framed structure, truss bridge and 40 m tall microwave tower are considered as a numerical examples to demonstrate the effectiveness of the domain decomposition based structural system identification technique using immune algorithm.

Optimal sensor placement techniques for system identification and health monitoring of civil structures

Rao, A. Rama Mohan,Anandakumar, Ganesh Techno-Press 2008 Smart Structures and Systems, An International Jou Vol.4 No.4

Proper pretest planning is a vital component of any successful vibration test on engineering structures. The most important issue in dynamic testing of many engineering structures is arriving at the number and optimal placement of sensors. The sensors must be placed on the structure in such a way that all the important dynamic behaviour of a structural system is captured during the course of the test with sufficient accuracy so that the information can be effectively utilised for structural parameter identification or health monitoring. Several optimal sensor placement (OSP) techniques are proposed in the literature and each of these methods have been evaluated with respect to a specific problem encountered in various engineering disciplines like aerospace, civil, mechanical engineering, etc. In the present work, we propose to perform a detailed characteristic evaluation of some selective popular OSP techniques with respect to their application to practical civil engineering problems. Numerical experiments carried out in the paper on various practical civil engineering structures indicate that effective independence (EFI) method is more consistent when compared to all other sensor placement techniques.

Does surgical procedure type impact postoperative pain and recovery in deep inferior epigastric artery perforator flap breast reconstruction?

Azizi, Alexander A.,Mohan, Anita T.,Tomouk, Taj,Brickley, Elizabeth B.,Malata, Charles M. Korean Society of Plastic and Reconstructive Surge 2020 Archives of Plastic Surgery Vol.47 No.4

Background The deep inferior epigastric artery perforator (DIEP) flap is the commonest flap used for breast reconstruction after mastectomy. It is performed as a unilateral (based on one [unipedicled] or two [bipedicled] vascular pedicles) or bilateral procedure following unilateral or bilateral mastectomies. No previous studies have comprehensively analyzed analgesia requirements and hospital stay of these three forms of surgical reconstruction. Methods A 7-year retrospective cohort study (2008-2015) of a single-surgeon's DIEP-patients was conducted. Patient-reported pain scores, patient-controlled morphine requirements and recovery times were compared using non-parametric statistics and multivariable regression. Results The study included 135 participants: unilateral unipedicled (n=84), unilateral bipedicled (n=24) and bilateral unipedicled (n=27). Univariate comparison of the three DIEP types showed a significant difference in 12-hour postoperative morphine requirements (P=0.020); bipedicled unilateral patients used significantly less morphine than unipedicled (unilateral) patients at 12 (P=0.005), 24 (P=0.020), and 48 (P=0.046) hours. Multivariable regression comparing these two groups revealed that both reconstruction type and smoking status were significant predictors for 12-hour postoperative morphine usage (P=0.038 and P=0.049, respectively), but only smoking, remained significant at 24 (P=0.010) and 48 (P=0.010) hours. Bilateral reconstruction patients' mean hospital stay was 2 days longer than either unilateral reconstruction (P<0.001). Conclusions Although all three forms of DIEP flap breast reconstruction had similar postoperative pain measures, a novel finding of our study was that bipedicled DIEP flap harvest might be associated with lower early postoperative morphine requirements. Bilateral and bipedicled procedures in appropriate patients might therefore be undertaken without significantly increased pain/morbidity compared to unilateral unipedicled reconstructions.