Search results for: single strap joint
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5588

Search results for: single strap joint

1778 Effect of Miconazole Nitrate on Immunological Response and Its Preventive Efficacy in Labeo rohita Fingerlings against Oomycetes Saprolegnia parasitica

Authors: Mukta Singh, Ratan Kumar Saha, Himadri Saha, Paramveer Singh

Abstract:

The present study evaluated the effect of sub-lethal doses of antifungal drug miconazole nitrate (MCZ) on immunological responses including immune-related gene expression and its role as a prophylactic drug against S. parasitica in Labeo rohita fingerlings. Fish were fed with sub lethal doses of MCZ i.e., T1- 6.30 mg MCZ kgBW⁻¹, T2- 12.61 mg MCZ kgBW⁻¹ and T3- 25.22 mg MCZ kgBW⁻¹ and sampling was done at different time intervals for 240 h. Immunological parameters viz. lysozyme activity, oxygen radical production and plasma anti-protease activity showed significant enhancement (p < 0.05) in fish fed with T2 and T3 doses. Significant reduction in plasma protein content was observed in all the dietary groups as compared to control. Expression of immune-relevant genes like TLR-22 and β2-M showed significantly higher expression at six h and 24 h of sampling in both liver and head-kidney. However, these genes showed a down-regulation after 120 h of sampling in both the tissues. Preventive efficacy study showed that single dose of MCZ provides protection against oomycetes up to the fourth day of infection. Significantly higher mortality was observed in control diet-fed fish as compared to fish fed with MCZ medicated diet. Thus, from the study, it can be concluded that the MCZ can act as a potent antifungal agent for preventing oomycetes infection as well as to enhance the immune response.

Keywords: antifungal, immune gene, immunological, miconazole nitrate, prophylactic

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1777 WT1 Exprassion in Malignant Surface Epithelial Ovarian Tumors

Authors: Mahmoodreza Tahamtan

Abstract:

Background: Malignant surface epithelial ovarian tumors (SEOT) account for approximately 90% of primary ovarian cancer. Wilms tumor gene (WT1) product was defined as a tumor suppressor gene, but today it is considered capable of performing oncogenic functions. There seems to be differences in WT1 expression patterns among SEOT subtypes. We evaluate the immunohistochemical expression of WT1 protein among different histologic subtypes of SEOT. Materials and Methods: Immunohistochemistry for WT1 was done on 35 serous cystadenocarcinomas, 9 borderline serous tumors, 3 mucinous cystadenocarcinomas, 10 borderline mucinous tumors, 7 endometrioid ovarian carcinomas, 3 clear cell carcinomas, 1 malignant Brenner tumor, 2 metastatic adenocarcinomas, and 6 endometrial adenocarcinomas. A tumor was considered negative if < 1% of tumor cells were stained.Positive reactions were graded as follows:1+,1%-24%; 2+,25%-49%; 3+,50%-74%; 4+,75%-100%. Results: Of the 35 cases of ovarian serous cystadenocarcinoma, 30(85.7%) were diffusely positive (3+,4+),4 showed reactivity of < 50% of the tumor cells (1+,2+), and one were negative. All 9 borderline serous tumors showed immunoreactivity with WT1. All the mucinous tumors(n:13), endometrioid carcinomas (n: 7), clear cell carcinomas (n: 3), metastatic adenocarcinomas (n: 2) and primary endometrial carcinomas (n:6) were negative. The single malignant Brenner tumor showed a positive reaction for WT1(4+) Conclusion: WT1 is a good marker to distinguish primary ovarian serous carcinomas from other surface epithelial tumors (especially endometrioid subtype) and metastatic carcinomas (especially endometrial serous carcinoma), other than malignant mesothelioma. We cannot rely to the degree of expression inorder to separate high grade borderline serous tumors from low grade ones.

Keywords: WT1, ovary, epithelial tumors, malignant

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1776 Parametric Models of Facade Designs of High-Rise Residential Buildings

Authors: Yuchen Sharon Sung, Yingjui Tseng

Abstract:

High-rise residential buildings have become the most mainstream housing pattern in the world’s metropolises under the current trend of urbanization. The facades of high-rise buildings are essential elements of the urban landscape. The skins of these facades are important media between the interior and exterior of high- rise buildings. It not only connects between users and environments, but also plays an important functional and aesthetic role. This research involves a study of skins of high-rise residential buildings using the methodology of shape grammar to find out the rules which determine the combinations of the facade patterns and analyze the patterns’ parameters using software Grasshopper. We chose a number of facades of high-rise residential buildings as source to discover the underlying rules and concepts of the generation of facade skins. This research also provides the rules that influence the composition of facade skins. The items of the facade skins, such as windows, balconies, walls, sun visors and metal grilles are treated as elements in the system of facade skins. The compositions of these elements will be categorized and described by logical rules; and the types of high-rise building facade skins will be modelled by Grasshopper. Then a variety of analyzed patterns can also be applied on other facade skins through this parametric mechanism. Using these patterns established in the models, researchers can analyze each single item to do more detail tests and architects can apply each of these items to construct their facades for other buildings through various combinations and permutations. The goal of these models is to develop a mechanism to generate prototypes in order to facilitate generation of various facade skins.

Keywords: facade skin, grasshopper, high-rise residential building, shape grammar

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1775 Size-Controlled Synthesis of Bismuth Nanoparticles by Temperature Assisted Pulsed Laser Deposition

Authors: Ranjit A. Patil, Yung Liou, Yuan-Ron Ma

Abstract:

It has been observed that when the size of metals such as, Au, Zn, Ag, Cu, Te, and metal oxides is reduced to several nano-meters, it starts to show further interesting properties. These new properties boost the use of nano-structures to produce attractive functional materials or used as promising building blocks in electronic devices. Present work describes the synthesis of bismuth (Bi) nanoparticles (NP’s) having uniform morphology, high crystallinity, and single phase purity by the temperature assisted pulsed laser deposition (TAPLD). Pulsed Laser deposition (PLD) technique is one of the promising methods to synthesize nano-structures. It can provide the stable nucleation sites in orders of magnitudes higher than for MBE and sputtering deposition. The desired size of purely metallic Bi NP’s of can be easily controlled by adjusting the temperature of the substrate varying from 1000 C to 250 0C. When the temperatures of the substrate raised step wise the average size of Bi NP’s appeared to be increased by maintaining the uniform distribution of NP’s on the Si surfaces. The diameter range of NP’s is ~33-84 nm shows size distribution constrained in the limited range. The EDS results show that the 0D Bi NP’s synthesized at high temperature (250 0C) at a high vacuum still remained in a metallic phase. Moreover, XRD, TEM and SAED results showed that these Bi NP’s are hexagonal in crystalline in a space group R -3 m and no traces of bismuth oxide, confirming that Bi NP’s synthesized at wide range of temperatures persisted of the pure Bi-metallic phase.

Keywords: metal nano particles, bismuth, pulsed laser deposition (PLD), nano particles, temperature assisted growth

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1774 Structure-Based Drug Design of Daptomycin, Antimicrobial lipopeptide

Authors: Satya Eswari Jujjavarapu, Swast Dhagat

Abstract:

Contagious diseases enact severe public health problems and have upsetting consequences. The cyclic lipopeptides explained by bacteria Bacillus, Paenibacillus, Pseudomonas, Streptomyces, Serratia, Propionibacterium and fungus Fusarium are very critical in confining the pathogens. As the degree of drug resistance upsurges in unparalleled manner, the perseverance of searching novel cyclic lipopeptides is being professed. The intense study has shown the implication of these bioactive compounds extending beyond antibacterial and antifungal. Lipopeptides, composed of single units of peptide and fatty acyl moiety, show broad spectrum antimicrobial effects. Among the surplus of cyclic lipopeptides, only few have materialized as strong antibiotics. For their functional vigor, polymyxin, daptomycin, surfactin, iturin and bacillomycin have been integrated in mainstream healthcare. In our work daptomycin has been a major part of antimicrobial resource since the past decade. Daptomycin, a cyclic lipopeptide consists of 13-member amino acid with a decanoyl side-chain. This structure of daptomycin confers it the mechanism of action through which it forms pore in the bacterial cell membrane resulting in the death of cell. Daptomycin is produced by Streptococccus roseoporus and acts against Streptococcus pneumonia (PSRP), methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant enterococci (VRE). The PDB structure and ligands of daptomycin are available online. The molecular docking studies of these ligands with the lipopeptides were performed and their docking score and glide energy were recorded.

Keywords: daptomycin, molecular docking, structure-based drug design, lipopeptide

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1773 Model-Based Fault Diagnosis in Carbon Fiber Reinforced Composites Using Particle Filtering

Authors: Hong Yu, Ion Matei

Abstract:

Carbon fiber reinforced composites (CFRP) used as aircraft structure are subject to lightning strike, putting structural integrity under risk. Indirect damage may occur after a lightning strike where the internal structure can be damaged due to excessive heat induced by lightning current, while the surface of the structures remains intact. Three damage modes may be observed after a lightning strike: fiber breakage, inter-ply delamination and intra-ply cracks. The assessment of internal damage states in composite is challenging due to complicated microstructure, inherent uncertainties, and existence of multiple damage modes. In this work, a model based approach is adopted to diagnose faults in carbon composites after lighting strikes. A resistor network model is implemented to relate the overall electrical and thermal conduction behavior under simulated lightning current waveform to the intrinsic temperature dependent material properties, microstructure and degradation of materials. A fault detection and identification (FDI) module utilizes the physics based model and a particle filtering algorithm to identify damage mode as well as calculate the probability of structural failure. Extensive simulation results are provided to substantiate the proposed fault diagnosis methodology with both single fault and multiple faults cases. The approach is also demonstrated on transient resistance data collected from a IM7/Epoxy laminate under simulated lightning strike.

Keywords: carbon composite, fault detection, fault identification, particle filter

Procedia PDF Downloads 195
1772 In vitro Protein Folding and Stability Using Thermostable Exoshells

Authors: Siddharth Deshpande, Nihar Masurkar, Vallerinteavide Mavelli Girish, Malan Desai, Chester Drum

Abstract:

Folding and stabilization of recombinant proteins remain a consistent challenge for industrial and therapeutic applications. Proteins derived from thermophilic bacteria often have superior expression and stability qualities. To develop a generalizable approach to protein folding and stabilization, we tested the hypothesis that wrapping a thermostable exoshell around a protein substrate would aid folding and impart thermostable qualities to the internalized substrate. To test the effect of internalizing a protein within a thermostable exoshell (tES), we tested in vitro folding and stability using green fluorescent protein (GFPuv), horseradish peroxidase (HRP) and renilla luciferase (rLuc). The 8nm interior volume of a thermostable ferritin assembly was engineered to accommodate foreign proteins and either present a positive, neutral or negative interior charge environment. We further engineered the tES complex to reversibly assemble and disassemble with pH titration. Template proteins were expressed as inclusion bodies and an in vitro folding protocol was developed that forced proteins to fold inside a single tES. Functional yield was improved 100-fold, 100-fold and 150-fold with use of tES for GFPuv, HRP and rLuc respectively and was highly dependent on the internal charge environment of the tES. After folding, functional proteins could be released from the tES folding cavity using size exclusion chromatography at pH 5.8. Internalized proteins were tested for improved stability against thermal, organic, urea and guanidine denaturation. Our results demonstrated that thermostable exoshells can efficiently refold and stabilize inactive aggregates into functional proteins.

Keywords: thermostable shell, in vitro folding, stability, functional yield

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1771 Assessment of Potential Spontaneous Plants Seed Dispersal in Camels and Small Ruminants Faeces

Authors: H. Trabelsi, A. Chehma, I. Benseddik

Abstract:

Animals can play an important role in the seed dispersal cycle through the active or passive uptake of seeds and the subsequent external (epizoochory) or internal transport (endozoochory) of seeds. In Algeria, small ruminants and camels are generally conducted in extensive livestock exploiting the Saharan and steppe rangelands. To get an idea on the ecological potential role of these animals in the spontaneous plants proliferation, we propose to make a study of seeds dispersal and germination possibilities by camel faeces compared to those of small ruminants. Manual faeces decortication of the two animals categories has allowed to inventory 72 seed which 71% are in good condition, while 29% of the seeds that are encountered are partially altered and could not be identified. The species that have been identified, from small ruminants dung are weeds of cultures, while those identified from camel dung are spontaneous plants of Saharan rangeland. Concerning germination in the laboratory, only 3 species seeds were germinated from camel feces, whose germination rate varies from 25% to 100%. Contrary to Sheep-Goat feces, a single species germinated with 71%. The three months seed germination in greenhouse allowed to identify 10 species belonging to 4 botanical families (5 species from small ruminants dung and 3 species from Camel dung). In general, the results show the positive effect played by two animals categories for plants seed dispersal with the camel particularity for spontaneous plants due to its capacity to cover long distances in different rangeland types.

Keywords: Algeria, camel, endozoochory, seeds, sheep-goat, rangeland

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1770 Unveiling the Self-Assembly Behavior and Salt-Induced Morphological Transition of Double PEG-Tailed Unconventional Amphiphiles

Authors: Rita Ghosh, Joykrishna Dey

Abstract:

PEG-based amphiphiles are of tremendous importance for its widespread applications in pharmaceutics, household purposes, and drug delivery. Previously, a number of single PEG-tailed amphiphiles having significant applications have been reported from our group. Therefore, it was of immense interest to explore the properties and application potential of PEG-based double tailed amphiphiles. Herein, for the first time, two novel double PEG-tailed amphiphiles having different PEG chain lengths have been developed. The self-assembly behavior of the newly developed amphiphiles in aqueous buffer (pH 7.0) was thoroughly investigated at 25 oC by a number of techniques including, 1H-NMR, and steady-state and time-dependent fluorescence spectroscopy, dynamic light scattering, transmission electron microscopy, atomic force microscopy, and isothermal titration calorimetry. Despite having two polar PEG chains both molecules were found to have strong tendency to self-assemble in aqueous buffered solution above a very low concentration. Surprisingly, the amphiphiles were shown to form stable vesicles spontaneously at room temperature without any external stimuli. The results of calorimetric measurements showed that the vesicle formation is driven by the hydrophobic effect (positive entropy change) of the system, which is associated with the helix-to-random coil transition of the PEG chain. The spectroscopic data confirmed that the bilayer membrane of the vesicles is constituted by the PEG chains of the amphiphilic molecule. Interestingly, the vesicles were also found to exhibit structural transitions upon addition of salts in solution. These properties of the vesicles enable them as potential candidate for drug delivery.

Keywords: double-tailed amphiphiles, fluorescence, microscopy, PEG, vesicles

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1769 Automated Natural Hazard Zonation System with Internet-SMS Warning: Distributed GIS for Sustainable Societies Creating Schema and Interface for Mapping and Communication

Authors: Devanjan Bhattacharya, Jitka Komarkova

Abstract:

The research describes the implementation of a novel and stand-alone system for dynamic hazard warning. The system uses all existing infrastructure already in place like mobile networks, a laptop/PC and the small installation software. The geospatial dataset are the maps of a region which are again frugal. Hence there is no need to invest and it reaches everyone with a mobile. A novel architecture of hazard assessment and warning introduced where major technologies in ICT interfaced to give a unique WebGIS based dynamic real time geohazard warning communication system. A never before architecture introduced for integrating WebGIS with telecommunication technology. Existing technologies interfaced in a novel architectural design to address a neglected domain in a way never done before–through dynamically updatable WebGIS based warning communication. The work publishes new architecture and novelty in addressing hazard warning techniques in sustainable way and user friendly manner. Coupling of hazard zonation and hazard warning procedures into a single system has been shown. Generalized architecture for deciphering a range of geo-hazards has been developed. Hence the developmental work presented here can be summarized as the development of internet-SMS based automated geo-hazard warning communication system; integrating a warning communication system with a hazard evaluation system; interfacing different open-source technologies towards design and development of a warning system; modularization of different technologies towards development of a warning communication system; automated data creation, transformation and dissemination over different interfaces. The architecture of the developed warning system has been functionally automated as well as generalized enough that can be used for any hazard and setup requirement has been kept to a minimum.

Keywords: geospatial, web-based GIS, geohazard, warning system

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1768 The Impact of P108L Genetic Variant on Calcium Release and Malignant Hyperthermia Susceptibility

Authors: Mohammed Althobiti, Patrick Booms, Dorota Fiszer, Philip Hopkins

Abstract:

Malignant hyperthermia (MH) is a pharmacogenetic disorder of skeletal muscle. MH results from anaesthetics induced breakdown of calcium homeostasis. RYR1 and CACN1AS mutations represent the aetiology in ~70% of the MH population. Previous studies indicate that up to 25% of MH patients carry no variants in these genes. Therefore, the aim of this study is to investigate the relationships between MH susceptibility and genes encoding skeletal muscle Ca2+ channels as well as accessory proteins. The JSRP, encoding JP-45, was previously sequenced and novel genetic variants were identified. The variant p.P108L (c.323C > T) was identified in exon 4 and encodes a change from a proline at amino acid 108 to leucine residue. The variant P108L was detected in two patients out of 50 with 4% frequency in the sample population. The alignment of DNA sequences in different species indicates highly conserved proline sequences involved in the substitution of the P108L variant. In this study, the variant P108L co-segregates with the SNP p.V92A (c.275T > C) at the same exon, both variants being inherited in the same two patients only. This indicates that the two variants may represent a haplotype. Therefore, a set of single nucleotide polymorphisms and statistical analysis will be used to investigate the effects of haplotypes on MH susceptibility. Furthermore, investigating the effect of the P108L variant in combination with RYR1 mutations or other genetic variants in other genes as a combination of two or more genetic variants, haplotypes may then provide stronger genetic evidence indicating that JSRP1 is associated with MH susceptibility. In conclusion, these preliminary results lend a potential modifier role of the variant P108L in JSRP1 in MH susceptibility and further investigations are suggested to confirm these results.

Keywords: JSRP1, malignant hyperthermia, RyR1, skeletal muscle

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1767 Cardiopulmonary Resuscitation Performance Efficacy While Wearing a Powered Air-Purifying Respirator

Authors: Jun Young Chong, Seung Whan Kim

Abstract:

Introduction: The use of personal protective equipment for respiratory infection control in cardiopulmonary resuscitation (CPR) is a physical burden to healthcare providers. It matters how long CPR quality according to recommended guidelines can be maintained under these circumstances. It was investigated whether chest compression time was appropriate for a 2-minute shift and how long it was maintained in accordance with the guidelines under such conditions. Methods: This prospective crossover simulation study was performed at a single center from September 2020 to October 2020. Five indicators of CPR quality were measured during the first and second sessions of the study period. All participants wore a Level D powered air-purifying respirator (PAPR), and the experiment was conducted using a Resusci Anne manikin, which can measure the quality of chest compressions. Each participant conducted two sessions. In session one, 2-minutes of chest compressions followed by a 2-minute rest was repeated twice; in session two, 1-minute of chest compressions followed by a 1-minute rest was repeated four times. Results: All 34 participants completed the study. The deep and sufficient compression rate was 65.9 ± 13.1 mm in the 1-minute shift group and 61.5 ± 30.5 mm in the 2-minute shift group. The mean depth was 52.8 ±4.3 mm in the 1-minute shift group and 51.0 ± 6.1 mm in the 2-minute shift group. In these two values, there was a statistically significant difference between the two sessions. There was no statistically significant difference in the other CPR quality values. Conclusions: It was suggested that the different standard of current 2-minute to 1-minute cycles due to a significant reduction in the quality of chest compression in cases of CPR with PAPR.

Keywords: cardiopulmonary resuscitation, chest compression, personal protective equipment, powered air-purifying respirator

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1766 Resolving Urban Mobility Issues through Network Restructuring of Urban Mass Transport

Authors: Aditya Purohit, Neha Bansal

Abstract:

Unplanned urbanization and multidirectional sprawl of the cities have resulted in increased motorization and deteriorating transport conditions like traffic congestion, longer commuting, pollution, increased carbon footprint, and above all increased fatalities. In order to overcome these problems, various practices have been adopted including– promoting and implementing mass transport; traffic junction channelization; smart transport etc. However, these methods are found to be primarily focusing on vehicular mobility rather than people accessibility. With this research gap, this paper tries to resolve the mobility issues for Ahmedabad city in India, which being the economic capital Gujarat state has a huge commuter and visitor inflow. This research aims to resolve the traffic congestion and urban mobility issues focusing on Gujarat State Regional Transport Corporation (GSRTC) for the city of Ahmadabad by analyzing the existing operations and network structure of GSRTC followed by finding possibilities of integrating it with other modes of urban transport. The network restructuring (NR) methodology is used with appropriate variations, based on commuter demand and growth pattern of the city. To do these ‘scenarios’ based on priority issues (using 12 parameters) and their best possible solution, are established after route network analysis for 2700 population sample of 20 traffic junctions/nodes across the city. Approximately 5% sample (of passenger inflow) at each node is considered using random stratified sampling technique two scenarios are – Scenario 1: Resolving mobility issues by use of Special Purpose Vehicle (SPV) in joint venture to GSRTC and Private Operators for establishing feeder service, which shall provide a transfer service for passenger for movement from inner city area to identified peripheral terminals; and Scenario 2: Augmenting existing mass transport services such as BRTS and AMTS for using them as feeder service to the identified peripheral terminals. Each of these has now been analyzed for the best suitability/feasibility in network restructuring. A desire-line diagram is constructed using this analysis which indicated that on an average 62% of designated GSRTC routes are overlapping with mass transportation service routes of BRTS and AMTS in the city. This has resulted in duplication of bus services causing traffic congestion especially in the Central Bus Station (CBS). Terminating GSRTC services on the periphery of the city is found to be the best restructuring network proposal. This limits the GSRTC buses at city fringe area and prevents them from entering into the city core areas. These end-terminals of GSRTC are integrated with BRTS and AMTS services which help in segregating intra-state and inter-state bus services. The research concludes that absence of integrated multimodal transport network resulted in complexity of transport access to the commuters. As a further scope of research comparing and understanding of value of access time in total travel time and its implication on generalized cost on trip and how it varies city wise may be taken up.

Keywords: mass transportation, multi-modal integration, network restructuring, travel behavior, urban transport

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1765 Mg and MgN₃ Cluster in Diamond: Quantum Mechanical Studies

Authors: T. S. Almutairi, Paul May, Neil Allan

Abstract:

The geometrical, electronic and magnetic properties of the neutral Mg center and MgN₃ cluster in diamond have been studied theoretically in detail by means of an HSE06 Hamiltonian that includes a fraction of the exact exchange term; this is important for a satisfactory picture of the electronic states of open-shell systems. Another batch of the calculations by GGA functionals have also been included for comparison, and these support the results from HSE06. The local perturbations in the lattice by introduced Mg defect are restricted in the first and second shell of atoms before eliminated. The formation energy calculated with HSE06 and GGA of single Mg agrees with the previous result. We found the triplet state with C₃ᵥ is the ground state of Mg center with energy lower than the singlet with C₂ᵥ by ~ 0.1 eV. The recent experimental ZPL (557.4 nm) of Mg center in diamond has been discussed in the view of present work. The analysis of the band-structure of the MgN₃ cluster confirms that the MgN₃ defect introduces a shallow donor level in the gap lying within the conduction band edge. This observation is supported by the EMM that produces n-type levels shallower than the P donor level. The formation energy of MgN₂ calculated from a 2NV defect (~ 3.6 eV) is a promising value from which to engineer MgN₃ defects inside the diamond. Ion-implantation followed by heating to about 1200-1600°C might induce migration of N related defects to the localized Mg center. Temperature control is needed for this process to restore the damage and ensure the mobilities of V and N, which demands a more precise experimental study.

Keywords: empirical marker method, generalised gradient approximation, Heyd–Scuseria–Ernzerhof screened hybrid functional, zero phono line

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1764 Role of Hyperbaric Oxygen Therapy in Management of Diabetic Foot

Authors: Magdy Al Shourbagi

Abstract:

Diabetes mellitus is the commonest cause of neuropathy. The common pattern is a distal symmetrical sensory polyneuropathy, associated with autonomic disturbances. Less often, Diabetes mellitus is responsible for a focal or multifocal neuropathy. Common causes for non-healing of diabetic foot are the infection and ischemia. Diabetes mellitus is associated with a defective cellular and humoral immunity. Particularly, decreased phagocytosis, decreased chemotaxis, impaired bacterial killing and abnormal lymphocytic function resulting in a reduced inflammatory reaction and defective wound healing. Hyperbaric oxygen therapy is defined by the Undersea and Hyperbaric Medical Society as a treatment in which a patient intermittently breathes 100% oxygen and the treatment chamber is pressurized to a pressure greater than sea level (1 atmosphere absolute). The pressure increase may be applied in mono-place (single person) or multi-place chambers. Multi-place chambers are pressurized with air, with oxygen given via face mask or endotracheal tube; while mono-place chambers are pressurized with oxygen. Oxygen gas plays an important role in the physiology of wound healing. Hyperbaric oxygen therapy can raise tissue oxygen tensions to levels where wound healing can be expected. HBOT increases the killing ability of leucocytes also it is lethal for certain anaerobic bacteria and inhibits toxin formation in many other anaerobes. Multiple anecdotal reports and studies in HBO therapy in diabetic patients report that HBO can be an effective adjunct therapy in the management of diabetic foot wounds and is associated with better functional outcomes.

Keywords: hyperbari oxygen therapy, diabetic foot, neuropathy, multiplace chambers

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1763 Medical Radiation Exposure in a Cohort of Children Diagnosed with Solid Tumors: Single Institution Study 1985-2015

Authors: Robin L. Rohrer

Abstract:

Introduction: Pre-natal or early childhood exposure to the medical radiation used in diagnosis or treatment is an identified risk for childhood cancers but can be difficult to document. The author developed a family questionnaire/interview form to identify possible exposures. Aims: This retrospective study examines pre-natal and early childhood medical radiation exposure in a cohort of children diagnosed with a solid tumor including brain tumors from 1985-2015 at the Children’s Hospital of Pittsburgh (CHP). The hospital is a tri-state regional referral center which treats about 150-180 new cases of cancer in children per year. About 70% are diagnosed with a solid tumor. Methods: Each consented family so far (approximately 50% of the cohort) has been interviewed in person or by the phone call. Medical staff and psycho- social staff referred patient families for the interview with the author. Results: Among the families interviewed to date at least one medical radiation exposure has been identified (pre-conception, pre-natal or early childhood) in over 70% of diagnosed children. These exposures have included pre-conception sinus or chest CT or X-ray in either parent, sinus CT or X-ray in the mother or diagnostic radiation of chest or abdomen in children. Conclusions: Exposures to medical radiation for a child later diagnosed with cancer may occur at several critical junctures. These exposures may well contribute to a ‘perfect storm’ in the still elusive causes of childhood cancer. The author plans to expand the study from 1975 to present to hopefully further document these junctures.

Keywords: pediatric, solid tumors, medical radiation, cancer

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1762 A Numerical Study on Semi-Active Control of a Bridge Deck under Seismic Excitation

Authors: A. Yanik, U. Aldemir

Abstract:

This study investigates the benefits of implementing the semi-active devices in relation to passive viscous damping in the context of seismically isolated bridge structures. Since the intrinsically nonlinear nature of semi-active devices prevents the direct evaluation of Laplace transforms, frequency response functions are compiled from the computed time history response to sinusoidal and pulse-like seismic excitation. A simple semi-active control policy is used in regard to passive linear viscous damping and an optimal non-causal semi-active control strategy. The control strategy requires optimization. Euler-Lagrange equations are solved numerically during this procedure. The optimal closed-loop performance is evaluated for an idealized controllable dash-pot. A simplified single-degree-of-freedom model of an isolated bridge is used as numerical example. Two bridge cases are investigated. These cases are; bridge deck without the isolation bearing and bridge deck with the isolation bearing. To compare the performances of the passive and semi-active control cases, frequency dependent acceleration, velocity and displacement response transmissibility ratios Ta(w), Tv(w), and Td(w) are defined. To fully investigate the behavior of the structure subjected to the sinusoidal and pulse type excitations, different damping levels are considered. Numerical results showed that, under the effect of external excitation, bridge deck with semi-active control showed better structural performance than the passive bridge deck case.

Keywords: bridge structures, passive control, seismic, semi-active control, viscous damping

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1761 Ureteral Stents with Extraction Strings: Patient-Reported Outcomes

Authors: Rammah Abdlbagi, Similoluwa Biyi, Aakash Pai

Abstract:

Introduction: Short-term ureteric stents are commonly placed after ureteroscopy procedures. The removal usually entails having a flexible cystoscopy, which entails a further invasive procedure. There are often delays in removing the stent as departments have limited cystoscopy availability. However, if stents with extraction strings are used, the patient or a clinician can remove them. The aim of the study is to assess the safety and effectiveness of the use of a stent with a string. Method: A retrospective, single-institution study was conducted over a three-month period. Twenty consecutive patients had ureteric stents with string insertion. Ten of the patients had a stent removal procedure previously with flexible cystoscopy. A validated questionnaire was used to assess outcomes. Primary outcomes included: dysuria, hematuria, urinary frequency, and disturbance of the patient’s daily activities. Secondary outcomes included pain experience during the stent removal. Result: Fifteen patients (75%) experienced hematuria and frequency. Two patients experienced pain and discomfort during the stent removal (10%). Two patients had experienced a disturbance in their daily activity (10%). All patients who had stent removal before using flexible cystoscopy preferred the removal of the stent using a string. None of the patients had stent displacement. The median stent dwell time was five days. Conclusion: Patient reported outcomes measures for the indwelling period of a stent with extraction string are equivalent to the published data on stents. Extraction strings mean that the stent dwell time can be reduced. The removal of the stent on extraction strings is more tolerable than the conventional stent.

Keywords: ureteric stent, string flexible cystoscopy, stent symptoms, validated questionnaire

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1760 In-Situ Determination of Radioactivity Levels and Radiological Hazards in and around the Gold Mine Tailings of the West Rand Area, South Africa

Authors: Paballo M. Moshupya, Tamiru A. Abiye, Ian Korir

Abstract:

Mining and processing of naturally occurring radioactive materials could result in elevated levels of natural radionuclides in the environment. The aim of this study was to evaluate the radioactivity levels on a large scale in the West Rand District in South Africa, which is dominated by abandoned gold mine tailings and the consequential radiological exposures to members of the public. The activity concentrations of ²³⁸U, ²³²Th and 40K in mine tailings, soil and rocks were assessed using the BGO Super-Spec (RS-230) gamma spectrometer. The measured activity concentrations for ²³⁸U, ²³²Th and 40K in the studied mine tailings were found to range from 209.95 to 2578.68 Bq/kg, 19.49 to 108.00 Bq/kg and 31.30 to 626.00 Bq/kg, respectively. In surface soils, the overall average activity concentrations were found to be 59.15 Bq/kg, 34.91 and 245.64 Bq/kg for 238U, ²³²Th and 40K, respectively. For the rock samples analyzed, the mean activity concentrations were 32.97 Bq/kg, 32.26 Bq/kg and 351.52 Bg/kg for ²³⁸U, ²³²Th and 40K, respectively. High radioactivity levels were found in mine tailings, with ²³⁸U contributing significantly to the overall activity concentration. The external gamma radiation received from surface soil in the area is generally low, with an average of 0.07 mSv/y. The highest annual effective doses were estimated from the tailings dams and the levels varied between 0.14 mSv/y and 1.09 mSv/y, with an average of 0.51 mSv/y. In certain locations, the recommended dose constraint of 0.25 mSv/y from a single source to the average member of the public within the exposed population was exceeded, indicating the need for further monitoring and regulatory control measures specific to these areas to ensure the protection of resident members of the public.

Keywords: activity concentration, gold mine tailings, in-situ gamma spectrometry, radiological exposures

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1759 Toehold Mediated Shape Transition of Nucleic Acid Nanoparticles

Authors: Emil F. Khisamutdinov

Abstract:

Development of functional materials undergoing structural transformations in response to an external stimulus such as environmental changes (pH, temperature, etc.), the presence of particular proteins, or short oligonucleotides are of great interest for a variety of applications ranging from medicine to electronics. The dynamic operations of most nucleic acid (NA) devices, including circuits, nano-machines, and biosensors, rely on networks of NA strand displacement processes in which an external or stimulus strand displaces a target strand from a DNA or RNA duplex. The rate of strand displacement can be greatly increased by the use of “toeholds,” single-stranded regions of the target complex to which the invading strand can bind to initiate the reaction, forming additional base pairs that provide a thermodynamic driving force for transformation. Herein, we developed a highly robust nanoparticle shape transition, sequentially transforming DNA polygons from one shape to another using the toehold-mediated DNA strand displacement technique. The shape transformation was confirmed by agarose gel electrophoresis and atomic force microscopy. Furthermore, we demonstrate that our approach is applicable for RNA shape transformation from triangle to square, which can be detected by fluorescence emission from malachite green binding RNA aptamer. Using gel-shift and fluorescence assays, we demonstrated efficient transformation occurs at isothermal conditions (37°C) that can be implemented within living cells as reporter molecules. This work is intended to provide a simple, cost-effective, and straightforward model for the development of biosensors and regulatory devices in nucleic acid nanotechnology.

Keywords: RNA nanotechnology, bionanotechnology, toehold mediated DNA switch, RNA split fluorogenic aptamers

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1758 Frequency and Factors Associated with Thyroid Dysfunction: A Descriptive Cross-Sectional Study from a Tertiary Care Center in Kabul, Afghanistan

Authors: Mohammad Naeem Lakanwall, Jamshid Abdul-Ghafar

Abstract:

Background: Endocrinopathies are a commonly occurring entity, particularly those of the thyroid gland; however, there is a lack of scientific literature from Afghanistan, a country with very limited health care facilities and resources. To our best knowledge, this is the first study aimed to describe the frequency of occurrence and factors associated with thyroid dysfunction in the Afghan population. The aim of this study is to estimate the frequency and to identify factors associated with thyroid dysfunction among individuals coming to a tertiary care facility in Kabul, Afghanistan. Methods: A cross-sectional study was conducted from July to Sep 2018 at the Department of Clinical Pathology, French Medical Institute for Mothers and Children (FMIC), Kabul, Afghanistan. Blood samples were obtained, serum TSH levels were analyzed, and the patients were divided into three diagnostic categories according to their serum TSH concentrations: 1) hypothyroidism, 2) hyperthyroidism, 3) normal. Results: A total of 127 individuals were included in the final analysis. The majority of study participants (77%) were females. A large number of the participants (92%) did not have a family history of thyroid dysfunction. 74% of the participants in the study had normal TSH levels classified as normal thyroid function, (14%) had lower TSH levels, and (12%) higher TSH levels, classified as hyper and hypothyroid, respectively. Conclusions: The findings of the current study showed a high frequency of thyroid dysfunctions from a single center. Further large-scale studies are needed to find out the prevalence and document this entity for better health outcomes in the country.

Keywords: Afghanistan, factors, frequency, hypothyroid, hyperthyroid, thyroid, thyroid stimulating hormone

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1757 Preparation of Carbon Nanofiber Reinforced HDPE Using Dialkylimidazolium as a Dispersing Agent: Effect on Thermal and Rheological Properties

Authors: J. Samuel, S. Al-Enezi, A. Al-Banna

Abstract:

High-density polyethylene reinforced with carbon nanofibers (HDPE/CNF) have been prepared via melt processing using dialkylimidazolium tetrafluoroborate (ionic liquid) as a dispersion agent. The prepared samples were characterized by thermogravimetric (TGA) and differential scanning calorimetric (DSC) analyses. The samples blended with imidazolium ionic liquid exhibit higher thermal stability. DSC analysis showed clear miscibility of ionic liquid in the HDPE matrix and showed single endothermic peak. The melt rheological analysis of HDPE/CNF composites was performed using an oscillatory rheometer. The influence of CNF and ionic liquid concentration (ranging from 0, 0.5, and 1 wt%) on the viscoelastic parameters was investigated at 200 °C with an angular frequency range of 0.1 to 100 rad/s. The rheological analysis shows the shear-thinning behavior for the composites. An improvement in the viscoelastic properties was observed as the nanofiber concentration increases. The progress in the modulus values was attributed to the structural rigidity imparted by the high aspect ratio CNF. The modulus values and complex viscosity of the composites increased significantly at low frequencies. Composites blended with ionic liquid exhibit slightly lower values of complex viscosity and modulus over the corresponding HDPE/CNF compositions. Therefore, reduction in melt viscosity is an additional benefit for polymer composite processing as a result of wetting effect by polymer-ionic liquid combinations.

Keywords: high-density polyethylene, carbon nanofibers, ionic liquid, complex viscosity

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1756 Immunohistochemical Evaluation of Moringa oleifera Seed Oil in Cadmium Induced Frontal Cortex Damage in Wistar Rats

Authors: Olusegun D. Omotoso

Abstract:

The use of Moringa oleifera seed oil in the prevention and cure of many ailments particularly, neurodegenerative diseases have been on increasing trend in Nigeria. The study was aimed at investigating the ameliorative or reversal effects by the intervention of Moringa oleifera seed oil on the damage to frontal cortex of Wistar rats by cadmium. Twenty-eight Wistar rats of both sexes weighed between 73g-151g were used. The animals were acclimatized and were fed on rat chow and water ad libitum. The rats were randomly divided into four groups A, B, C and D of 7 rats each. Group A served as control which received 2.5mg/kgbw phosphate buffer intra-peritoneally, while group D served as Moringa-treated control and received oral administration of 2.0 mg/kgbw Moringa oleifera oil. Groups B and C were injected intra-peritoneally with 3.5mg/kgbw CdSO₄.8H₂O single dose. Group C received orally administration of 2.0mg/kgbw Moringa oleifera oil. The intervention lasted for four weeks after which the animals were sacrificed by cervical dislocation and the tissues processed histologically. The immuno-histoarchitecture of the frontal cortex was characterized by pyknosis of nuclei as well as activation of astrocytes which was evidence in group B rats, while those animals in group C showed ameliorative effect that were evidence in reduction in the number of pyknotic nuclei and reduction of activated astrocytes as compared with control group A and Moringa-treated group D. It can be deduced that Moringa oleifera seed oil has natural antioxidant constituents that might have ameliorated the immuno-histoarchitectural damage caused by cadmium.

Keywords: cadmium, immuno-histoarchitecture, Moringa oleifera, pyknotic nuclei

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1755 Rear Seat Belt Use in Developing Countries: A Case Study from the United Arab Emirates

Authors: Salaheddine Bendak, Sara S. Alnaqbi

Abstract:

The seat belt is a vital tool in improving traffic safety conditions and minimising injuries due to traffic accidents. Most developing countries are facing a big problems associated with the human and financial losses due to traffic accidents. One way to minimise these losses is the use of seat belts by passengers both in the front and rear seats of a vehicle; however, at the same time, close to nothing is known about the rates of seat belt utilisation among rear seat passengers in many developing countries. Therefore, there is a need to estimate these rates in order to know the extent of this problem and how people interact with traffic safety measures like seat belts and find demographic characteristics that contribute to wearing or non-wearing of seat belts with the aim of finding solutions to improve wearing rates. In this paper, an observational study was done to gather data on restraints use in motor vehicle rear seats in eight observational stations in a rapidly developing country, the United Arab Emirates (UAE), and estimate a use rate for the whole country. Also, a questionnaire was used in order to study demographic characteristics affecting the wearing of seatbelts in rear seats. Results of the observational study showed that the overall wearing/usage rate was 12.3%, which is considered very low when compared to other countries. Survey results show that single, male, less educated passengers from Arab and South Asian backgrounds use seat belts reportedly less than others. Finally, solutions are put forward to improve this wearing rate based on the results of this study.

Keywords: Seat belts, traffic crashes, United Arab Emirates, rear seats

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1754 Key Parameters for Controlling Swell of Expansive Soil-Hydraulic Cement Admixture

Authors: Aung Phyo Kyaw, Kuo Chieh Chao

Abstract:

Expansive soils are more complicated than normal soils, although the soil itself is not very complicated. When evaluating foundation performance on expansive soil, it is important to consider soil expansion. The primary focus of this study is on hydraulic cement and expansive soil mixtures, and the research aims to identify key parameters for controlling the swell of the expansive soil-hydraulic cement mixture. Treatment depths can be determined using hydraulic cement ratios of 4%, 8%, 12%, and 15% for treating expansive soil. To understand the effect of hydraulic cement percentages on the swelling of expansive soil-hydraulic admixture, performing the consolidation-swell test σ''ᶜˢ is crucial. This investigation primarily focuses on consolidation-swell tests σ''ᶜˢ, although the heave index Cₕ is also needed to determine total heave. The heave index can be measured using the percent swell in the specific inundation stress in both the consolidation-swell test and the constant-volume test swelling pressure. Obtaining the relationship between swelling pressure and σ''ᶜⱽ determined from the "constant volume test" is useful in predicting heave from a single oedometer test. The relationship between σ''ᶜˢ and σ''ᶜⱽ is based on experimental results of expansive soil behavior and facilitates heave prediction for each soil. In this method, the soil property "m" is used as a parameter, and common soil property tests include compaction, particle size distribution, and the Atterberg limit. The Electricity Generating Authority of Thailand (EGAT) provided the soil sample for this study, and all laboratory testing is performed according to American Society for Testing and Materials (ASTM) standards.

Keywords: expansive soil, swelling pressure, total heave, treatment depth

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1753 Research on Characteristics and Inventory Planning Counter-Measure of Mature Industrial Zones in the Background of China's New Normal

Authors: Dong Chen, Han Song, Tingting Wei

Abstract:

Industrial zones have made significant contributions to the economic development of Chinese urban areas for decades. In the background of China's New Normal, numbers of mature industrial zones are stepping into a new stage of inventory development instead of increment development. The aim of this study is to discover new characteristics and problems and corresponding inventory planning guidance of mature industrial zones. A case of Yangzhou Hi-Tech Industrial Development Zone is reported in this study. Based on a historical analysis and data analysis of land-use, it is found that land-use of the zone is near saturation and signs of land updating have begun to appear. It is observed that the zone is facing problems including disorder of land development, low economic productivity and single function. Through the data of economic output, tax contribution, industrial category, industry life cycle and environmental influence, a comprehensive assessment based on two dimensions, economic benefits and industrial matchup, is made upon every parcel in the zone. According to the assessment, the zone is divided into spatial units of the update with specific planning guidance. It comes to a conclusion as four directions of inventory planning guidance in mature industrial zones: moving industries with poor economic benefit and negative environmental influence, adding urban function and new industrial function to the zone, optimizing the function of important space, and restricting the mass layout of the real estate industry to provide space for industrial upgrading.

Keywords: China's new normal, mature industrial zones, land-use, inventory planning

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1752 Morphological Anatomical Study of the Axis Vertebra and Its Clinical Orientation

Authors: Mangala M. Pai, B. V. Murlimanju, Latha V. Prabhu, P. J. Jiji , Vandana Blossom

Abstract:

Background:To study the morphological parameters of the axis vertebra in anatomical specimens. Methods: The present study was designed to obtain the morphometric data of axis vertebra. The superior and inferior articular facets of the axis were macroscopically observed for their shapes and the different parameters were measured using the digital Vernier caliper. It included 20 dried axis bones, which were obtained from the anatomy laboratory. Results: The morphometric data obtained in the present study are represented in the tables. The side wise comparison of the length and width of the articular facets of the axis vertebra were done. The present study observed that, there is no statistically significant difference observed among the parameters of right and left side articular facets (p>0.05). The superior and inferior articular facets were observed to have variable shapes. The frequencies of different shapes of superior and inferior articular facets are represented in figures. All the shapes of the inferior and superior articular facets were symmetrical over the right and left sides. Among the superior articular facets, the constrictions were absent in 13 cases (65%), 2 (10%) exhibited a single constriction, 3 (15%) had 2 constrictions and 2 (10%) were having 3 constrictions. The constrictions were absent in 11 (55%) of the inferior articular facets, 3 (15%) of them had 1 constriction, 3 (15%) were having 2 constrictions, 2 (10%) exhibited 3 constrictions and 1 (5%) of them had 4 constrictions. The constrictions of the inferior and superior articular facets were symmetrical over the right and left sides. Conclusion: We believe that the present study has provided additional information on the morphometric data of the axis vertebra. The data are important to the neurosurgeons, orthopedic surgeons and radiologists. The preoperative assessment of the axis vertebra may prevent dangerous complications like spinal cord and nerve root compression during the surgical intervention.

Keywords: axis, articular facet, morphology, morphometry

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1751 Mechanical Properties of Young and Senescence Fibroblast Cells Using Passive Microrheology

Authors: Samira Khalaji, , Fenneke Klein Jan, Kay-E. Gottschalk, Eugenia Makrantonaki, Karin Scharffetter-Kochanek

Abstract:

Biological aging is a multi-dimensional process that takes place over a whole range of scales from the nanoscopic alterations within individual cells, over transformations in tissues and organs and to changes of the whole organism. On the single cell level, aging involves mutation of genes, differences in gene expression levels as well as altered posttranslational modifications of proteins. A variety of proteins is affected, including proteins of the cell cytoskeleton and migration machinery. Previous work quantified the expression of cytoskeleton proteins on the gene and protein levels in senescent and young fibroblasts. Their results show that senescent skin fibroblasts have an upregulated expression of the intermediate filament (IF) protein vimentin in contrast to actin and tubulin, which are downregulated. IFs play an important role in providing mechanical stability of cells. However, the mechanical properties of IFs depending on cellular senescence or age of the donor has not been studied so far. Hence, we employed passive microrheology on primary human dermal fibroblasts from female donors with age of 28 years (young) and 86 years (old) as model of in vivo aging and human normal dermal fibroblast from 11-year old male with CPD 17-35 (young) and CPD 58-59 (senescence) as a model of in vitro replicative senescence. In contrast to the expectations, our primary results show no significant differences in the viscoelastic properties of fibroblasts depending on age of the donor or cellular replicative senescence.

Keywords: aging, cytoskeleton, fibroblast, mechanical properties

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1750 Measuring the Effect of Continuous Performance Test-3 Administration on Regional Cerebral Blood Flow with Single-Photon Emission Computed Tomography in Adult ADHD

Authors: Claire Stafford, Charles Golden, Daniel Amen, Kristen Willeumier

Abstract:

The aim of this study is to investigate the effect of the administration of the Conners Continuous Performance Test (CPT-3) on cerebral blood flow (CBF) in adults with ADHD. The data for this study was derived from a large SPECT database. Participants in the ADHD group (n=81, Mage=37.97) were similar to those in the healthy control group (n=8503, Mage=41.86). All participants were assessed for cerebral blood flow levels before and after CPT-3 administration. Both age and gender were considered covariates. Multiple 2-by-2 ANCOVAs with repeated measures were conducted with sphericity assumed. The main effects of CPT-3 administration on CBF levels were significant in the left and right side of the frontal and occipital, and right temporal lobe. The main effects of ADHD diagnosis were significant in all brain areas assessed. The interaction between CPT-3 administration and ADHD diagnosis was significant in the left and right side of the limbic system, basal ganglia, the frontal lobe, and occipital lobe. Post hoc tests with a Bonferroni adjustment revealed that CBF levels increased following CPT-3 administration but less so in the ADHD group. Individuals had higher levels of CBF following the administration of CPT-3. Due to a significant interaction, we can infer that ADHD diagnosis changes the effect of CPT-3 administration on CBF levels. This is consistent with our hypothesis considering that CPT-3 is a test of sustained attention, a common challenge for children with ADHD. The aforementioned interaction was not found to be significant in the parietal lobe. This may be due to the nature of CPT- 3 which does not require an integration of sensory information.

Keywords: SPECT, ADHD, conners continuous performance test, cerebral blood flow

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1749 Molecular Electron Density Theory Study on the Mechanism and Selectivity of the 1,3 Dipolar Cycloaddition Reaction of N-Methyl-C-(2-Furyl) Nitrone with Activated Alkenes

Authors: Moulay Driss Mellaoui, Abdallah Imjjad, Rachid Boutiddar, Haydar Mohammad-Salim, Nivedita Acharjee, Hassan Bourzi, Souad El Issami, Khalid Abbiche, Hanane Zejli

Abstract:

We have investigated the underlying molecular processes involved in the [3+2] cycloaddition (32CA) reactions between N-methyl-C-(2-furyl) nitrone and three acetylene derivatives: 4b, 5b, and 6b. For this investigation, we utilized molecular electron density theory (MEDT) and density functional theory (DFT) methods at the B3LYP-D3/6 31G (d) computational level. These 32CA reactions, which exhibit a zwitterionic (zw-type) nature, proceed through a one-step mechanism with activation enthalpies ranging from 8.80 to 14.37 kcal mol−1 in acetonitrile and ethanol solvents. When the nitrone reacts with phenyl methyl propiolate (4b), two regioisomeric pathways lead to the formation of two products: P1,5-4b and P1,4-4b. On the other hand, when the nitrone reacts with dimethyl acetylene dicarboxylate (5b) and acetylene dicarboxylic acid (but-2-ynedioic acid) (6b), it results in the formation of a single product. Through topological analysis, we can categorize the nitrone as a zwitterionic three-atom component (TAC). Furthermore, the analysis of conceptual density functional theory (CDFT) indices classifies the 32CA reactions of the nitrone with 4b, 5b, and 6b as forward electron density flux (FEDF) reactions. The study of bond evolution theory (BET) reveals that the formation of new C-C and C-O covalent bonds does not initiate in the transition states, as the intermediate stages of these reactions display pseudoradical centers of the atoms already involved in bonding.

Keywords: 4-isoxazoline, DFT/B3LYP-D3, regioselectivity, cycloaddition reaction, MEDT, ELF

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