Search results for: quantum disc
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 910

Search results for: quantum disc

430 Pharmaceutical Applications of Newton's Second Law and Disc Inertia

Authors: Nicholas Jensen

Abstract:

As the effort to create new drugs to treat rare conditions cost-effectively intensifies, there is a need to ensure maximum efficiency in the manufacturing process. This includes the creation of ultracompact treatment forms, which can best be achieved via applications of fundamental laws of physics. This paper reports an experiment exploring the relationship between the forms of Newton's 2ⁿᵈ Law appropriate to linear motion and to transversal architraves. The moment of inertia of three discs was determined by experiments and compared with previous data derived from a theoretical relationship. The method used was to attach the discs to a moment arm. Comparing the results with those obtained from previous experiments, it is found to be consistent with the first law of thermodynamics. It was further found that Newton's 2ⁿᵈ law violates the second law of thermodynamics. The purpose of this experiment was to explore the relationship between the forms of Newton's 2nd Law appropriate to linear motion and to apply torque to a twisting force, which is determined by position vector r and force vector F. Substituting equation alpha in place of beta; angular acceleration is a linear acceleration divided by radius r of the moment arm. The nevrological analogy of Newton's 2nd Law states that these findings can contribute to a fuller understanding of thermodynamics in relation to viscosity. Implications for the pharmaceutical industry will be seen to be fruitful from these findings.

Keywords: Newtonian physics, inertia, viscosity, pharmaceutical applications

Procedia PDF Downloads 118
429 Electrostatic Solitary Waves in Degenerate Relativistic Quantum Plasmas

Authors: Sharmin Sultana, Reinhard Schlickeiser

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A degenerate relativistic quantum plasma (DRQP) system (containing relativistically degenerate electrons, degenerate/non-degenerate light nuclei, and non-degenerate heavy nuclei) is considered to investigate the propagation characteristics of electrostatic solitary waves (in the ionic scale length) theoretically and numerically. The ion-acoustic solitons are found to be associated with the modified ion-acoustic waves (MIAWs) in which inertia (restoring force) is provided by mass density of the light or heavy nuclei (degenerate pressure of the cold electrons). A mechanical-motion analog (Sagdeev-type) pseudo-potential approach is adopted to study the properties of large amplitude solitary waves. The basic properties of the large amplitude MIAWs and their existence domain in terms of soliton speed (Mach number) are examined. On the other hand, a multi-scale perturbation approach, leading to an evolution equation for the envelope dynamics, is adopted to derive the cubic nonlinear Schrödinger equation (NLSE). The criteria for the occurrence of modulational instability (MI) of the MIAWs are analyzed via the nonlinear dispersion relation of the NLSE. The possibility for the formation of highly energetic localized modes (e.g. peregrine solitons, rogue waves, etc.) is predicted in such DRQP medium. Peregrine solitons or rogue waves with amplitudes of several times of the background are observed to form in DRQP. The basic features of these modulated waves (e.g. envelope solitons, peregrine solitons, and rogue waves), which are found to form in DRQP, and their MI criteria (on the basis of different intrinsic plasma parameters), are investigated. It is emphasized that our results should be useful in understanding the propagation characteristics of localized disturbances and the modulation dynamics of envelope solitons, and their instability criteria in astrophysical DRQP system (e.g. white dwarfs, neutron stars, etc., where matters under extreme conditions are assumed to exist) and also in ultra-high density experimental plasmas.

Keywords: degenerate plasma, envelope solitons, modified ion-acoustic waves, modulational instability, rogue waves

Procedia PDF Downloads 203
428 Encoded Nanospheres for the Fast Ratiometric Detection of Cystic Fibrosis

Authors: Iván Castelló, Georgiana Stoica, Emilio Palomares, Fernando Bravo

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We present herein two colour encoded silica nanospheres (2nanoSi) for the fluorescence quantitative ratiometric determination of trypsin in humans. The system proved to be a faster (minutes) method, with two times higher sensitivity than the state-of-the-art biomarkers based sensors for cystic fibrosis (CF), allowing the quantification of trypsin concentrations in a wide range (0-350 mg/L). Furthermore, as trypsin is directly related to the development of cystic fibrosis, different human genotypes, i.e. healthy homozygotic (> 80 mg/L), CF homozygotic (< 50 mg/L), and heterozygotic (> 50 mg/L), respectively, can be determined using our 2nanoSi nanospheres.

Keywords: cystic fibrosis, trypsin, quantum dots, biomarker, homozygote, heterozygote

Procedia PDF Downloads 484
427 An Update on Linezolid against Methicillin-Resistant Staphylococcus Aureus Clinical Isolates from Pakistan

Authors: Tayaba Dastgeer, Farhan Rasheed, Muhammad Saeed, Maqsood Ahmad, Zia Ashraf, Abdul Waheed, Muhammad Kamran, Mohsin Khurshid

Abstract:

Objectives: The study aimed to determine the efficacy of linezolid against clinical isolates of methicillin-resistant staphylococcus aureus (MRSA). Methodology: This cross-sectional study was conducted in the microbiology department of Allama Iqbal Medical College Lahore from August 2017 to September 2019. Isolates were confirmed as MRSA via the presence of the mec-A gene. Confirmed MRSA isolates were processed for susceptibility testing against different antimicrobials, especially linezolid, via the disc diffusion method. Zone sizes were interpreted according to CLSI guidelines. Results: Various types of clinical samples were included in the study; however, the highest frequency of MRSA isolates was found in pus samples, followed by other clinical samples. Among hospitalized patients, most MRSA isolates were obtained from patients in the surgical ward. Of 243 mec-A gene detected isolates, Vancomycin and linezolid showed 100% susceptibility, chloramphenicol showed declining resistance 78 (32.09%), and emerging sensitivity 165 (67.90%) against MRSA. Conclusion: Linezolid is a very efficient drug against MRSA, but the use of this novel drug must be conserved for vancomycin-resistant Staphylococcus aureus or when more resistant pathogens are suspected.

Keywords: MRSA, chloramphenicol, linezolid, nosocomial infections

Procedia PDF Downloads 97
426 Antimicrobial Activity of Seed Oil of Garlic and Moringa oleifera against Some Food-Borne Microorganisms

Authors: Mansur Abdulrasheed, Ibrahim I. Hussein, Ahmed M. Mubarak, Ahmed F. Umar

Abstract:

This study was aimed at evaluating the phytochemical constituents and the antimicrobial activity of the seed oil of Moringa oleifera and garlic against some selected food-borne microorganisms (Staphylococcus aureus, Escherichia coli, Salmonella spp and Pseudomonas aeruginosa) using disc diffusion method. The results of the phytochemical screening revealed differences in the presence of the phytochemicals among the extracts. Saponins were detected in both Moringa oleifera and garlic seed oil, while alkaloid and tannins were observed in seed oil of garlic. Furthermore, the antibacterial assay results show that the seed oil of Moringa oleifera was inactive against all the tested organisms, even at 100 % concentration. In contrast, garlic oil was found to be active against all the tested organisms. The highest inhibition was observed in E. coli (12 mm) at 100 % concentration, while at 20 % concentration, Salmonella Sp and P. aeruginosa showed the least inhibiton (6 mm). The antimicrobial activity of the seed oil of garlic may be attributed to its phytochemicals components which were not detected in the seed oil of Moringa oleifera. The results of this study have shown the potentials of the seed oil of garlic as an antimicrobial agent more especially in foods, by inhibiting the growth of the test organisms, which range from food-borne pathogens to food spoilage organisms.

Keywords: antimicrobial, garlic, Moringa oleifera, food borne pathogens

Procedia PDF Downloads 506
425 Optimum Design of Combine Threshing Cylinder for Soybean Harvest

Authors: Choi Duckkyu, Choi Yong, Kang Taegyoung, Jun Hyeonjong, Choi Ilsu, Hyun Changsik

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This study was carried out to develop a soybean combine thresher that enables to reduce the damage rate of soybean threshing and the rate of unthreshing. The combine threshing cylinder was developed with 6 circular axis at each end and fixed with disc plates. It was attached to the prototype combine thresher. A combine thresher that has a cylinder with circular rod type threshing pegs was used for a comparative test. A series of comparative tests were conducted using dae-won soybean. The test of the soybean thresher was performed at the cylinder speeds of 210, 240, 270 and 300 rpm, and with the concave clearance of 10, 13 and 16 mm. The separating positions of soybean after threshing were researched on a separate box with 4 sections. The soybean positions of front, center, rear and rear outside, of 59.5%, 30.6%, 7.8% and 2.2% respectively, were obtained. At the cylinder speeds from 210 rpm to 300 rpm, the damage rate of soybean was increased from 0.1% to 4.2% correspondingly to speeds. The unthreshed rate of soybean under the same condition was increased from 0.9% to 4.1% correspondingly to speeds. 0.7% of the damage rate and 1.5% of the unthreshed rate was achieved at the cylinder speed of 240 rpm and with the concave clearance of 10 mm. For Daewon soybean, an optimum cylinder speed of 240 rpm and the concave clearance of 10 mm were identified. These results will be useful for the design, construction, and operation of soybean threshing harvesters.

Keywords: soybean harvest, combine threshing, threshing cylinder, optimum design

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424 Engineering the Topological Insulator Structures for Terahertz Detectors

Authors: M. Marchewka

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The article is devoted to the possible optical transitions in double quantum wells system based on HgTe/HgCd(Mn)Te heterostructures. Such structures can find applications as detectors and sources of radiation in the terahertz range. The Double Quantum Wells (DQW) systems consist of two QWs separated by the transparent for electrons barrier. Such systems look promising from the point of view of the additional degrees of freedom. In the case of the topological insulator in about 6.4nm wide HgTe QW or strained 3D HgTe films at the interfaces, the topologically protected surface states appear at the interfaces/surfaces. Electrons in those edge states move along the interfaces/surfaces without backscattering due to time-reversal symmetry. Combination of the topological properties, which was already verified by the experimental way, together with the very well know properties of the DQWs, can be very interesting from the applications point of view, especially in the THz area. It is important that at the present stage, the technology makes it possible to create high-quality structures of this type, and intensive experimental and theoretical studies of their properties are already underway. The idea presented in this paper is based on the eight-band KP model, including the additional terms related to the structural inversion asymmetry, interfaces inversion asymmetry, the influence of the magnetically content, and the uniaxial strain describe the full pictures of the possible real structure. All of this term, together with the external electric field, can be sources of breaking symmetry in investigated materials. Using the 8 band KP model, we investigated the electronic shape structure with and without magnetic field from the application point of view as a THz detector in a small magnetic field (below 2T). We believe that such structures are the way to get the tunable topological insulators and the multilayer topological insulator. Using the one-dimensional electrons at the topologically protected interface states as fast and collision-free signal carriers as charge and signal carriers, the detection of the optical signal should be fast, which is very important in the high-resolution detection of signals in the THz range. The proposed engineering of the investigated structures is now one of the important steps on the way to get the proper structures with predicted properties.

Keywords: topological insulator, THz spectroscopy, KP model, II-VI compounds

Procedia PDF Downloads 122
423 Comparison of Antimicrobial Activity of Seed Oil of Garlic and Moringa oleifera against Some Food-Borne Microorganisms

Authors: Mansur Abdulrasheed, Ibrahim I. Hussein, Ahmed M. Mubarak, Ahmed F. Umar

Abstract:

This study was aimed at evaluating the phytochemical constituents and the antimicrobial activity of the seed oil of Moringa oleifera and garlic against some selected food-borne microorganisms (Staphylococcus aureus, Escherichia coli, Salmonella spp and Pseudomonas aeruginosa) using disc diffusion method. The results of the phytochemical screening revealed differences in the presence of the phytochemicals among the extracts. Saponins were detected in both Moringa oleifera and garlic seed oil, while alkaloid and tannins were observed in seed oil of garlic. Furthermore, the antibacterial assay results show that the seed oil of Moringa oleifera was inactive against all the tested organisms, even at 100 % concentration. In contrast, garlic oil was found to be active against all the tested organisms. The highest inhibition was observed in E. coli (12 mm)at 100 % concentration, while at 20 % concentration, Salmonella Sp and P. aeruginosa showed the least inhibit on (6 mm). The antimicrobial activity of the seed oil of garlic may be attributed to its phytochemicals components which were not detected in the seed oil of Moringa oleifera. The results of this study have shown the potentials of the seed oil of garlic as an antimicrobial agent more especially in foods, by inhibiting the growth of the test organisms, which range from food-borne pathogens to food spoilage organisms.

Keywords: antimicrobial, garlic, Moringa oleifera, food borne pathogens

Procedia PDF Downloads 415
422 The Impact of Efflux Pump Inhibitor on the Activity of Benzosiloxaboroles and Benzoxadiboroles against Gram-Negative Rods

Authors: Agnieszka E. Laudy, Karolina Stępien, Sergiusz Lulinski, Krzysztof Durka, Stefan Tyski

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1,3-dihydro-1-hydroxy-2,1-benzoxaborole and its derivatives are a particularly interesting group of synthetic agents and were successfully employed in supramolecular chemistry medicine. The first important compounds, 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole and 5-chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole were identified as potent antifungal agents. In contrast, (S)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1-hydroxy-1,3-dihydro-2,1-benzoxaborole hydrochloride is in the second phase of clinical trials as a drug for the treatment of Gram-negative bacterial infections of the Enterobacteriaceae family and Pseudomonas aeruginosa. Equally important and difficult task is to search for compounds active against Gram-negative bacilli, which have multi-drug-resistance efflux pumps actively removing many of the antibiotics from bacterial cells. We have examined whether halogen-substituted benzoxaborole-based derivatives and their analogues possess antibacterial activity and are substrates for multi-drug-resistance efflux pumps. The antibacterial activity of 1,3-dihydro-3-hydroxy-1,1-dimethyl-1,2,3-benzosiloxaborole and 10 halogen-substituted its derivatives, as well as 1,2-phenylenediboronic acid and 3 synthesised fluoro-substituted its analogs, were evaluated. The activity against the reference strains of Gram-positive (n=5) and Gram-negative bacteria (n=10) was screened by the disc-diffusion test (0.4 mg of tested compounds was applied onto paper disc). The minimal inhibitory concentration values and the minimal bactericidal concentration values were estimated according to The Clinical and Laboratory Standards Institute and The European Committee on Antimicrobial Susceptibility Testing recommendations. During the minimal inhibitory concentration values determination with or without phenylalanine-arginine beta-naphthylamide (50 mg/L) efflux pump inhibitor, the concentrations of tested compounds ranged 0.39-400 mg/L in the broth medium supplemented with 1 mM magnesium sulfate. Generally, the studied benzosiloxaboroles and benzoxadiboroles showed a higher activity against Gram-positive cocci than against Gram-negative rods. Moreover, benzosiloxaboroles have the higher activity than benzoxadiboroles compounds. In this study, we demonstrated that substitution (mono-, di- or tetra-) of 1,3-dihydro-3-hydroxy-1,1-dimethyl-1,2,3-benzosiloxaborole with halogen groups resulted in an increase in antimicrobial activity as compared to the parent substance. Interestingly, the 6,7-dichloro-substituted parent substance was found to be the most potent against Gram-positive cocci: Staphylococcus sp. (minimal inhibitory concentration 6.25 mg/L) and Enterococcus sp. (minimal inhibitory concentration 25 mg/L). On the other hand, mono- and dichloro-substituted compounds were the most actively removed by efflux pumps present in Gram-negative bacteria mainly from Enterobacteriaceae family. In the presence of efflux pump inhibitor the minimal inhibitory concentration values of chloro-substituted benzosiloxaboroles decreased from 400 mg/L to 3.12 mg/L. Of note, the highest increase in bacterial susceptibility to tested compounds in the presence of phenylalanine-arginine beta-naphthylamide was observed for 6-chloro-, 6,7-dichloro- and 6,7-difluoro-substituted benzosiloxaboroles. In the case of Escherichia coli, Enterobacter cloacae and P. aeruginosa strains at least a 32-fold decrease in the minimal inhibitory concentration values of these agents were observed. These data demonstrate structure-activity relationships of the tested derivatives and highlight the need for further search for benzoxaboroles and related compounds with significant antimicrobial properties. Moreover, the influence of phenylalanine-arginine beta-naphthylamide on the susceptibility of Gram-negative rods to studied benzosiloxaboroles indicate that some tested agents are substrates for efflux pumps in Gram-negative rods.

Keywords: antibacterial activity, benzosiloxaboroles, efflux pumps, phenylalanine-arginine beta-naphthylamide

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421 Wear Assessment of SS316l-Al2O3 Composites for Heavy Wear Applications

Authors: Catherine Kuforiji, Michel Nganbe

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The abrasive wear of composite materials is a major challenge in highly demanding wear applications. Therefore, this study focuses on fabricating, testing and assessing the properties of 50wt% SS316L stainless steel–50wt% Al2O3 particle composites. Composite samples were fabricated using the powder metallurgy route. The effects of the powder metallurgy processing parameters and hard particle reinforcement were studied. The microstructure, density, hardness and toughness were characterized. The wear behaviour was studied using pin-on-disc testing under dry sliding conditions. The highest hardness of 1085.2 HV, the highest theoretical density of 94.7% and the lowest wear rate of 0.00397 mm3/m were obtained at a milling speed of 720 rpm, a compaction pressure of 794.4 MPa and sintering at 1400 °C in an argon atmosphere. Compared to commercial SS316 and fabricated SS316L, the composites had 7.4 times and 11 times lower wear rate, respectively. However, the commercial 90WC-10Co showed 2.2 times lower wear rate compared to the fabricated SS316L-Al2O3 composites primarily due to the higher ceramic content of 90 wt.% in the reference WC-Co. However, eliminating the relatively high porosity of about 5 vol% using processes such as HIP and hot pressing can be expected to lead to further substantial improvements of the composites wear resistance.

Keywords: SS316L, Al2O3, powder metallurgy, wear characterization

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420 Preparation, Characterisation, and Antibacterial Activity of Green-Biosynthesised Silver Nanoparticles Using Clinacanthus Nutans Extract

Authors: Salahaedin Waiezi, Nik Ahmad Nizam Nik Malek, Hassan Abdelmagid Elzamzami, Shahrulnizahana Mohammad Din

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A green and safe approach to the synthesis of silver nanoparticles (AgNP) can be performed using plant leaf extract as the reducing agent. Hence, this paper reports the biosynthesis of AgNP using Clinacanthus nutans plant extract. C. nutans is known as belalai gajah in Malaysia and is widely used as a medicinal herb locally. The biosynthesized AgNP, using C. nutans aqueous extract at pH 10, with the reaction temperature of 70°C and 48 h reaction time, was characterized by UV-Vis spectroscopy, X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX), and transmission electron microscope (TEM). A peak appeared in the UV-Vis spectra at around 400 nm, while XRD confirmed the crystal structure of AgNP, with the average size between 20 to 30 nm, as shown in FESEM and TEM. The antibacterial activity of the biosynthesized AgNP, which was performed using the disc diffusion technique (DDT) indicated effective inhibition against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. In contrast, minimal antibacterial activity was detected against Enterococcus faecalis and methicillin-resistant Staphylococcus aureus (MRSA). In general, AgNP produced using C. nutans leaf extract possesses potential antibacterial activity.

Keywords: silver nanoparticles, Clinacanthus nutans, antibacterial agent, biosynthesis

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419 Synthesis of Green Silver Nanoparticles with Aqueous Extract of Glycyrrhiza glabra and Its Characterization

Authors: Mandeep Kataria, Ankita Thakur

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Glycyrrhiza glabra grows in the sub- tropical and warm temperate regions of the world, in Mediterranean countries and China, America, Europe, Asia and Australia. It grows in areas with sunny, dry and hot climates. It has numerous medicinal properties like it is used to cure Peptic Ulcers, Canker sores, Eczema, Indigestion and Upper Respiratory Infections. Biosynthetic methods such as plant extract have emerged as a simple and viable alternative to more complex chemical synthetic procedures to obtain nanomaterials. Extract from plant may act both as reducing and capping agents in silver nanoparticles synthesis. In the present work, Green Silver nanoparticles were successfully formulated from bioreduction of silver nitrate solutions using Glycyrrhiza glabra root extract. These Green Silver nanoparticles have been appropriately characterized using Visible spectroscopy, colour change. The Antimicrobial activity was done by Agar disc diffusion assay. AgNPs were developed by using aqueous root extract of Glycyrrhiza glabra, which acts as a reducing as well as stabilizing agent. The green synthetic method is a fast, low cost and eco-friendly process in the field of nanotechnology. The study revealed that the green-synthesized silver nanoparticle provides a promising approach for antimicrobial activity.

Keywords: Glycyrrhiza glabra, nanoparticles, antimicrobial activity, aqueous extract

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418 Autogenous Diabetic Retinopathy Censor for Ophthalmologists - AKSHI

Authors: Asiri Wijesinghe, N. D. Kodikara, Damitha Sandaruwan

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The Diabetic Retinopathy (DR) is a rapidly growing interrogation around the world which can be annotated by abortive metabolism of glucose that causes long-term infection in human retina. This is one of the preliminary reason of visual impairment and blindness of adults. Information on retinal pathological mutation can be recognized using ocular fundus images. In this research, we are mainly focused on resurrecting an automated diagnosis system to detect DR anomalies such as severity level classification of DR patient (Non-proliferative Diabetic Retinopathy approach) and vessel tortuosity measurement of untwisted vessels to assessment of vessel anomalies (Proliferative Diabetic Retinopathy approach). Severity classification method is obtained better results according to the precision, recall, F-measure and accuracy (exceeds 94%) in all formats of cross validation. In ROC (Receiver Operating Characteristic) curves also visualized the higher AUC (Area Under Curve) percentage (exceeds 95%). User level evaluation of severity capturing is obtained higher accuracy (85%) result and fairly better values for each evaluation measurements. Untwisted vessel detection for tortuosity measurement also carried out the good results with respect to the sensitivity (85%), specificity (89%) and accuracy (87%).

Keywords: fundus image, exudates, microaneurisms, hemorrhages, tortuosity, diabetic retinopathy, optic disc, fovea

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417 Phytochemial Screening, Anti-Microbial and Mineral Determination of Brysocarpus coccineus Root

Authors: I. L. Ibrahim, A. Mann, A. Ndanaimi

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The research involved phytochemical screening, antibacterial activities and mineral determination by flame photometry of the crude extract of Brysocarpus coccineus schum indeed were carried out. The result of Phytochemical screening reveal tha saponins, alkaloids, cardiac glycosides, and anthraquinones were present. This suggests that the plant extract could be used as anti-inflammatory and anti-bleeding agents. Estimation of mineral content shows that the crude extract of B. coccineus contains 0.73 (Na+), 1.06 (K+) and 1.98 (Ca+) which justifies its use to be safe for hypertensive patients and could be used to lower blood pressure. The antibacterial properties of aqueous and ethanol extract were studied against some bacteria; pseudomonas aeruginosa, Escherichia coli, Bacilus subtilis, Klebsilla penmuoniae by disc diffusion method. The aqueous extract showed significant activity against the organisms while the ethanol at concentrations 5-10mg/ml ethanol extract showed significant zone of inhibition against the organisms, E. coli, (19 mm), B. cereus (12 mm), P. aeruginosa (11 mm), K. pnemuoniae (11 mm). Minimum inhibitory concentration (MIC) was carried with considerable effect of inhibition on the organisms. The MIC values observed were 1, 24, 16 and 19 mm against E. coli, B. cereus, P. aeruginosa and K. pnemuoniae respectively. Therefore, the plant could be a potential source of antibacterial agent although more pharmacological and clinical study may be recommended.

Keywords: phytochemicals, microorganisms, screenings, mineral ions

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416 AI Predictive Modeling of Excited State Dynamics in OPV Materials

Authors: Pranav Gunhal., Krish Jhurani

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This study tackles the significant computational challenge of predicting excited state dynamics in organic photovoltaic (OPV) materials—a pivotal factor in the performance of solar energy solutions. Time-dependent density functional theory (TDDFT), though effective, is computationally prohibitive for larger and more complex molecules. As a solution, the research explores the application of transformer neural networks, a type of artificial intelligence (AI) model known for its superior performance in natural language processing, to predict excited state dynamics in OPV materials. The methodology involves a two-fold process. First, the transformer model is trained on an extensive dataset comprising over 10,000 TDDFT calculations of excited state dynamics from a diverse set of OPV materials. Each training example includes a molecular structure and the corresponding TDDFT-calculated excited state lifetimes and key electronic transitions. Second, the trained model is tested on a separate set of molecules, and its predictions are rigorously compared to independent TDDFT calculations. The results indicate a remarkable degree of predictive accuracy. Specifically, for a test set of 1,000 OPV materials, the transformer model predicted excited state lifetimes with a mean absolute error of 0.15 picoseconds, a negligible deviation from TDDFT-calculated values. The model also correctly identified key electronic transitions contributing to the excited state dynamics in 92% of the test cases, signifying a substantial concordance with the results obtained via conventional quantum chemistry calculations. The practical integration of the transformer model with existing quantum chemistry software was also realized, demonstrating its potential as a powerful tool in the arsenal of materials scientists and chemists. The implementation of this AI model is estimated to reduce the computational cost of predicting excited state dynamics by two orders of magnitude compared to conventional TDDFT calculations. The successful utilization of transformer neural networks to accurately predict excited state dynamics provides an efficient computational pathway for the accelerated discovery and design of new OPV materials, potentially catalyzing advancements in the realm of sustainable energy solutions.

Keywords: transformer neural networks, organic photovoltaic materials, excited state dynamics, time-dependent density functional theory, predictive modeling

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415 Phytochemial Screening, Anti-Microbial, and Minerals Determination of Leptadenia Hastata

Authors: I. L. Ibrahim, A. Mann, B. A. Adam

Abstract:

This project involved screening for antibacterial activity, phytochemical and mineral properties of Leptadenia hastata by flame photometry. The result of phytochemical screening reveals that the presence of flavonoids, tannins, saponins, alkaloids, steroidal, and anthraquinones while the cardiac glycoside was absent. This justifies the plant been used as anti-bleeding and anti-inflammatory agents. The result of flame photometry revealed that 1.85 % (Na), 0.65% (K) and 1.85 % (Ca) which indicates the safe nature of the plant extract as such could be used to lower high blood pressure. The antibacterial properties of both the aqueous and ethanolic extract were studied against some bacteria, Escherichia coli, Bacillus Cercus, Pseudomonas aeruginas, and Enterobacter aerogegens, by disc diffusion method and the result reveals that there are very good activities against the organism while the ethanolic extract at concentration 1.0 – 1.2 mg/ml. the ethanolic extract showed in considerable zone inhibition against bacteria’s; Escherichia coli, Bacillus Cercus, pseudomonas aeruginosa andklebsellapnemuoniae. Minimum inhibitory concentration (MIC) and minimum Bacterial concentration (MBC) were conducted with fairly good significant effect of inhibition on the organism, therefore, plant extract could be a potential source of antibacterial agent.

Keywords: antibacterial activity, Leptadenia hastata, infectious diseases, phytochemical screening

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414 Characterization Study of Aluminium 6061 Hybrid Composite

Authors: U. Achutha Kini, S. S. Sharma, K. Jagannath, P. R. Prabhu, M. C. Gowri Shankar

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Aluminium matrix composites with alumina reinforcements give superior mechanical & physical properties. Their applications in several fields like automobile, aerospace, defense, sports, electronics, bio-medical and other industrial purposes are becoming essential for the last several decades. In the present work, fabrication of hybrid composite was done by Stir casting technique using Al 6061 as a matrix with alumina and silicon carbide (SiC) as reinforcement materials. The weight percentage of alumina is varied from 2 to 4% and the silicon carbide weight percentage is maintained constant at 2%. Hardness and wear tests are performed in the as cast and heat treated conditions. Age hardening treatment was performed on the specimen with solutionizing at 550°C, aging at two temperatures (150 and 200°C) for different time durations. Hardness distribution curves are drawn and peak hardness values are recorded. Hardness increase was very sensitive with respect to the decrease in aging temperature. There was an improvement in wear resistance of the peak aged material when aged at lower temperature. Also increase in weight percent of alumina, increases wear resistance at lower temperature but opposite behavior was seen when aged at higher temperature.

Keywords: hybrid composite, hardness test, wear test, heat treatment, pin on disc wear testing machine

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413 Preventive Effects of Silymarin in Retinal Intoxication with Methanol in Rat: Transmission Electron Microscope Study

Authors: A. Zarenezhad, A. Esfandiari, E. Zarenezhad, M. Mardkhoshnood

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The aim of this study was to investigate the ultra-structure of the photoreceptor layer of male rats under the effect of methanol intoxication and protective effect of silymarin against the methanol toxicity. Fifteen adult male rats were divided into three groups: Control group, Experimental group I (received 4g/kg methanol by intraperitoneal injection for five days), Experimental group II (received 4 g/kg methanol by intraperitoneal injection for five days and received 250 mg/kg silymarin orally for three months). At the end of the experiment, the eyes were removed; retina was separated near the optic disc and studied by transmission electron microscope. Results showed that the retina in the experimental group I exhibited loss of outer segments and disorganization in inner segment. Increased extra cellular space, disappearance of outer limiting membrane and pyknotic nuclei were seen in this group. But normal outer segment, organized inner segment and normal outer limiting membrane were obvious after treatment with silymarin in experimental group II. These findings show that methanol causes damage in the photoreceptor layer of the rat retina and silymarin can protect the damage to retina against the methanol intoxication.

Keywords: ultra-structure, photoreceptor layer, methanol intoxication, silymarin, rat

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412 DFT Theoretical Investigation for Evaluating Global Scalar Properties and Validating with Quantum Chemical Based COSMO-RS Theory for Dissolution of Bituminous and Anthracite Coal in Ionic Liquid

Authors: Debanjan Dey, Tamal Banerjee, Kaustubha Mohanty

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Global scalar properties are calculated based on higher occupied molecular orbital (HOMO) and lower unoccupied molecular orbital (LUMO) energy to study the interaction between ionic liquids with Bituminous and Anthracite coal using density function theory (DFT) method. B3LYP/6-31G* calculation predicts HOMO-LUMO energy gap, electronegativity, global hardness, global softness, chemical potential and global softness for individual compounds with their clusters. HOMO-LUMO interaction, electron delocalization, electron donating and accepting is the main source of attraction between individual compounds with their complexes. Cation used in this study: 1-butyl-1-methylpyrrolidinium [BMPYR], 1-methyl -3-propylimmidazolium [MPIM], Tributylmethylammonium [TMA] and Tributylmethylphosphonium [MTBP] with the combination of anion: bis(trifluromethylsulfonyl)imide [Tf2N], methyl carbonate [CH3CO3], dicyanamide [N(CN)2] and methylsulfate [MESO4]. Basically three-tier approach comprising HOMO/LUMO energy, Scalar quantity and infinite dilution activity coefficient (IDAC) by sigma profile generation with COSMO-RS (Conductor like screening model for real solvent) model was chosen for simultaneous interaction. [BMPYR]CH3CO3] (1-butyl-1-methylpyrrolidinium methyl carbonate) and [MPIM][CH3CO3] (1-methyl -3-propylimmidazolium methyl carbonate ) are the best effective ILs on the basis of HOMO-LUMO band gap for Anthracite and Bituminous coal respectively and the corresponding band gap is 0.10137 hartree for Anthracite coal and 0.12485 hartree for Bituminous coal. Further ionic liquids are screened quantitatively with all the scalar parameters and got the same result based on CH-π interaction which is found for HOMO-LUMO gap. To check our findings IDAC were predicted using quantum chemical based COSMO-RS methodology which gave the same trend as observed our scalar quantity calculation. Thereafter a qualitative measurement is doing by sigma profile analysis which gives complementary behavior between IL and coal that means highly miscible with each other.

Keywords: coal-ionic liquids cluster, COSMO-RS, DFT method, HOMO-LUMO interaction

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411 Transforaminal Ligaments of the Lumbar Foramina: An Anatomic Study

Authors: Dušica L. Marić, Mirela Erić, Dušan M. Maić, Nebojša T. Milošević, Dragana Radošević, Nikola Vučinić

Abstract:

The anatomical existence of transforaminal ligaments has been studied widely. The crucial anatomic study of these structures describes the transforaminal ligaments as an anomalous structure. The ligaments associated with the intervertebral foramen were classified in the external, intraforaminal and internal foraminal ligaments. The external ligaments are the most frequently reported type of transforaminal ligaments in adult spine. The purpose of this study was to examine the appearance of the ligaments within the external space of the intervertebral foramen in adult cadavers. External transforaminal ligaments branch out forward from the root of the transverse process toward the vertebral body with superior, transverse and inferior directions. The ligament detected in the study was different from the other reported descriptions of L1 foraminal ligaments. This ligament extends from the root of the pedicle to the inferior border of the vertebral body below the level of the disc and forms the compartment through which pass the ventral root of the spinal nerve and a small branch of the spinal artery. The results of this study show that the external ligaments can be clearly macroscopic visualized, and it is very important to have prior knowledge of the cadaveric specimens, to identify these structures. The presence of these ligaments is clinically important. These ligaments could be the cause of nerve root compression and the low back syndrome.

Keywords: anatomy, ligaments, lumbar spine, spinal nerve roots

Procedia PDF Downloads 331
410 Growth Nanostructured CdO Thin Film via Solid-Vapor Deposition

Authors: A. S. Obaid, K. H. T. Hassan, A. M. Asij, B. M. Salih, M. Bououdina

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Cadmium Oxide (CdO) thin films have been prepared by vacuum evaporation method on Si (111) substrate at room temperature using CdCl2 as a source of Cd. Detailed structural properties of the films are presented using XRD and SEM. The films was pure polycrystalline CdO phase with high crystallinity. The lattice constant average crystallite size of the nanocrystalline CdO thin films were calculated. SEM image confirms the formation nanostructure. Energy dispersive X-ray analysis spectra of CdO thin films shows the presence of Cd and O peaks only, no additional peaks attributed to impurities or contamination are observed.

Keywords: nanostructured CdO, solid-vapor deposition, quantum size effect, cadmium oxide

Procedia PDF Downloads 667
409 Investigation of Carbapenem-Resistant Genes in Acinetobacter spp. Isolated from Patients at Tertiary Health Care Center, Northeastern Thailand

Authors: S. J. Sirima, C. Thirawan, R.Puntharikorn, K. Ungsumalin, J. Kaemwich

Abstract:

Acinetobacter spp. is a gram negative bacterium causing the high incidence of multi-drug resistance in patients admitted to an intensive care unit. A hundred isolates of Imipenem-resistant Acinetobacter spp. isolated from patients admitted at tertiary health care center, Northeastern region, Ubon Ratchathani, Thailand, were subjected to modified Hodge test and combined disc test in order to evaluate the production of carbapenemases. The results revealed that about 35% of isolates were found to be carbapenemases producers. In addition, multiplex polymerase chain reactions were performed to detect blaOXA-like genes. It showed that 92% of isolates possess blaOXA-51-like and blaOXA-23-like genes. However, blaOXA-58-like gene was detected in only 8 isolates. No detection of blaOXA-24-like gene was observed in all isolates. In conclusion, an ability to produce carbepenemases would be an important mechanism of multi-drug resistance among clinical isolates of Acinetobacter spp. at tertiary health care center, Northeastern region, Ubon Ratchathani, Thailand. Furthermore, it was likely that the class D carbapenemases genes, blaOXA-51-like and blaOXA-23-like, might contribute to imipenem-resistance exhibiting among isolates.

Keywords: Acinetobacter spp., blaOXA-like genes, carbapenemases, tertiary health care center

Procedia PDF Downloads 382
408 Quantum Chemical Investigation of Hydrogen Isotopes Adsorption on Metal Ion Functionalized Linde Type A and Faujasite Type Zeolites

Authors: Gayathri Devi V, Aravamudan Kannan, Amit Sircar

Abstract:

In the inner fuel cycle system of a nuclear fusion reactor, the Hydrogen Isotopes Removal System (HIRS) plays a pivoted role. It enables the effective extraction of the hydrogen isotopes from the breeder purge gas which helps to maintain the tritium breeding ratio and sustain the fusion reaction. One of the components of HIRS, Cryogenic Molecular Sieve Bed (CMSB) columns with zeolites adsorbents are considered for the physisorption of hydrogen isotopes at 1 bar and 77 K. Even though zeolites have good thermal stability and reduced activation properties making them ideal for use in nuclear reactor applications, their modest capacity for hydrogen isotopes adsorption is a cause of concern. In order to enhance the adsorbent capacity in an informed manner, it is helpful to understand the adsorption phenomena at the quantum electronic structure level. Physicochemical modifications of the adsorbent material enhances the adsorption capacity through the incorporation of active sites. This may be accomplished through the incorporation of suitable metal ions in the zeolite framework. In this work, molecular hydrogen isotopes adsorption on the active sites of functionalized zeolites are investigated in detail using Density Functional Theory (DFT) study. This involves the utilization of hybrid Generalized Gradient Approximation (GGA) with dispersion correction to account for the exchange and correlation functional of DFT. The electronic energies, adsorption enthalpy, adsorption free energy, Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO) energies are computed on the stable 8T zeolite clusters as well as the periodic structure functionalized with different active sites. The characteristics of the dihydrogen bond with the active metal sites and the isotopic effects are also studied in detail. Validation studies with DFT will also be presented for adsorption of hydrogen on metal ion functionalized zeolites. The ab-inito screening analysis gave insights regarding the mechanism of hydrogen interaction with the zeolites under study and also the effect of the metal ion on adsorption. This detailed study provides guidelines for selection of the appropriate metal ions that may be incorporated in the zeolites framework for effective adsorption of hydrogen isotopes in the HIRS.

Keywords: adsorption enthalpy, functionalized zeolites, hydrogen isotopes, nuclear fusion, physisorption

Procedia PDF Downloads 179
407 Laser Induced Transient Current in Quasi-One-Dimensional Nanostructure

Authors: Tokuei Sako

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Light-induced ultrafast charge transfer in low-dimensional nanostructure has been studied by a model of a few electrons confined in a 1D electrostatic potential coupled to electrodes at both ends and subjected to an ultrashort pulsed laser field. The time-propagation of the one- and two-electron wave packets has been calculated by integrating the time-dependent Schrödinger equation by the symplectic integrator method with uniform Fourier grid. The temporal behavior of the resultant light-induced current in the studied systems has been discussed with respect to the central frequency and pulse width of the applied laser fields.

Keywords: pulsed laser field, nanowire, wave packet, quantum dots, conductivity

Procedia PDF Downloads 509
406 Analysis of One-Way and Two-Way FSI Approaches to Characterise the Flow Regime and the Mechanical Behaviour during Closing Manoeuvring Operation of a Butterfly Valve

Authors: M. Ezkurra, J. A. Esnaola, M. Martinez-Agirre, U. Etxeberria, U. Lertxundi, L. Colomo, M. Begiristain, I. Zurutuza

Abstract:

Butterfly valves are widely used industrial piping components as on-off and flow controlling devices. The main challenge in the design process of this type of valves is the correct dimensioning to ensure proper mechanical performance as well as to minimise flow losses that affect the efficiency of the system. Butterfly valves are typically dimensioned in a closed position based on mechanical approaches considering uniform hydrostatic pressure, whereas the flow losses are analysed by means of CFD simulations. The main limitation of these approaches is that they do not consider either the influence of the dynamics of the manoeuvring stage or coupled phenomena. Recent works have included the influence of the flow on the mechanical behaviour for different opening angles by means of one-way FSI approach. However, these works consider steady-state flow for the selected angles, not capturing the effect of the transient flow evolution during the manoeuvring stage. Two-way FSI modelling approach could allow overcoming such limitations providing more accurate results. Nevertheless, the use of this technique is limited due to the increase in the computational cost. In the present work, the applicability of FSI one-way and two-way approaches is evaluated for the analysis of butterfly valves, showing that not considering fluid-structure coupling involves not capturing the most critical situation for the valve disc.

Keywords: butterfly valves, fluid-structure interaction, one-way approach, two-way approach

Procedia PDF Downloads 162
405 The Relationship Study between Topological Indices in Contrast with Thermodynamic Properties of Amino Acids

Authors: Esmat Mohammadinasab, Mostafa Sadeghi

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In this study are computed some thermodynamic properties such as entropy and specific heat capacity, enthalpy, entropy and gibbs free energy in 10 type different Aminoacids using Gaussian software with DFT method and 6-311G basis set. Then some topological indices such as Wiener, shultz are calculated for mentioned molecules. Finaly is showed relationship between thermodynamic peoperties and above topological indices and with different curves is represented that there is a good correlation between some of the quantum properties with topological indices of them. The instructive example is directed to the design of the structure-property model for predicting the thermodynamic properties of the amino acids which are discussed here.

Keywords: amino acids, DFT Method, molecular descriptor, thermodynamic properties

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404 Effect of TERGITOL NP-9 and PEG-10 Oleyl Phosphate as Surfactant and Corrosion Inhibitor on Tribo-Corrosion Performance of Carbon Steel in Emulsion-Based Drilling Fluids

Authors: Mohammadjavad Palimi, D. Y. Li, E. Kuru

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Emulsion-based drilling fluids containing mineral oil are commonly used for drilling operations, which generate a lubricating film to prevent direct contact between moving metal parts, thus reducing friction, wear, and corrosion. For long-lasting lubrication, the thin lubricating film formed on the metal surface should possess good anti-wear and anti-corrosion capabilities. This study aims to investigate the effects of two additives, TERGITOL NP-9 and PEG-10 oleyl phosphate, acting as surfactant and corrosion inhibitor, respectively, on the tribo-corrosion behavior of 1018 carbon steel immersed in 5% KCl solution at room temperature. A pin-on-disc tribometer attached to an electrochemical system was used to investigate the corrosive wear of the steel immersed in emulsion-based fluids containing the surfactant and corrosion inhibitor. The wear track, surface chemistry and composition of the protective film formed on the steel surface were analyzed with an optical profilometer, SEM, and SEM-EDX. Results of the study demonstrate that the performance of the emulsion-based drilling fluids was significantly improved by the corrosion inhibitor by a remarkable reduction in corrosion, coefficient of friction (COF) and wear.

Keywords: corrosion inhibitor, emulsion-based drilling fluid, tribo-corrosion, friction, wear

Procedia PDF Downloads 70
403 Nano Ceramics Materials in Clean Rooms: Properties and Characterization

Authors: HebatAllah Tarek, Zeyad El-Sayad, Ali F. Bakr

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Surface coating can permit the bulk materials to remain unchanged, whereas the surface functionality is engineered to afford a more required characteristic. Nano-Ceramic coatings are considered ideal coatings on materials that can significantly improve the surface properties, including anti-fouling, self-cleaning, corrosion resistance, wear resistance, anti-scratch, waterproof, anti-acid rain and anti-asphalt. Furthermore, various techniques have been utilized to fabricate a range of different ceramic coatings with more desirable properties on Nano-ceramics, which make the materials usually used in in-service environments and worth mentioning that the practical part of this study will be applied in one of the most important architectural applications due to the contamination-free conditions provided by it in the manufacturing industry. Without cleanrooms, products will become contaminated and either malfunction or infect people with bacteria. Cleanrooms are used for the manufacture of items used in computers, cars, airplanes, spacecraft, televisions, disc players and many other electronic and mechanical devices, as well as the manufacture of medicines, medical devices, and foods. The aim of this study will be to examine the Nano-ceramics on porcelain and glass panels. The investigation will be included fabrications, methods, surface properties and applications in clean rooms. The unfamiliarity in this study is using Nano-ceramics in clean rooms instead of using them on metallic materials.

Keywords: nano-ceramic coating, clean rooms, porcelain, surface properties

Procedia PDF Downloads 109
402 Experimental Investigation and Analysis of Wear Parameters on Al/Sic/Gr: Metal Matrix Hybrid Composite by Taguchi Method

Authors: Rachit Marwaha, Rahul Dev Gupta, Vivek Jain, Krishan Kant Sharma

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Metal matrix hybrid composites (MMHCs) are now gaining their usage in aerospace, automotive and other industries because of their inherent properties like high strength to weight ratio, hardness and wear resistance, good creep behaviour, light weight, design flexibility and low wear rate etc. Al alloy base matrix reinforced with silicon carbide (10%) and graphite (5%) particles was fabricated by stir casting process. The wear and frictional properties of metal matrix hybrid composites were studied by performing dry sliding wear test using pin on disc wear test apparatus. Experiments were conducted based on the plan of experiments generated through Taguchi’s technique. A L9 Orthogonal array was selected for analysis of data. Investigation to find the influence of applied load, sliding speed and track diameter on wear rate as well as coefficient of friction during wearing process was carried out using ANOVA. Objective of the model was chosen as smaller the better characteristics to analyse the dry sliding wear resistance. Results show that track diameter has highest influence followed by load and sliding speed.

Keywords: Taguchi method, orthogonal array, ANOVA, metal matrix hybrid composites

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401 Chronic and Sub-Acute Lumbosacral Radiculopathies Behave Differently to Repeated Back Extension Exercises

Authors: Sami Alabdulwahab

Abstract:

Background: Repeated back extension exercises (RBEEs) are among the management options for symptoms associated with lumbosacral radiculopathy (LSR). RBEEs have been reported to cause changes in the distribution and intensity of radicular symptoms caused by possible compression/decompression of the compromised nerve root. Purpose: The purpose of this study was to investigate the effects of the RBEEs on the neurophysiology of the compromised nerve root and on standing mobility and pain intensity in patients with sub-acute and chronic LSR. Methods: A total of 40 patients with unilateral sub-acute/chronic lumbosacral radiculopathy voluntarily participated in the study; the patients performed 3 sets of 10 RBEEs in the prone position with 1 min of rest between the sets. The soleus H-reflex, standing mobility and pain intensity were recorded before and after the RBEEs. Results: The results of the study showed that the RBEEs significantly improved the H-reflex, standing mobility and pain intensity in patients with sub-acute LSR (p<0.01); there was not a significant improvement in the patients with chronic LSR (p<0.61). Conclusion: RBEEs in prone position is recommended for improving the neurophysiological function of the compromised nerve root and standing mobility in patients with sub-acute LSR. Implication: Sub-acute and chronic LSR responded differently to RBEEs. Sub-acute LSR appear to have flexible and movable disc structures, which could be managed with RBEEs.

Keywords: h-reflex, back extension, lumbosacral radiculopathy, pain

Procedia PDF Downloads 478