Search results for: evaluation and prediction of quality answer

Authors: Chhavi Rana, Sanjay K Jain

Abstract:

All sides of every education debate agree that quality learning happens when knowledgeable, caring teachers use sound pedagogy. Many deliberations of pedagogy make the fault of considering it as principally being about teaching. There has been lot of research about how to build a positive climate for learning, improve student curiosity, and enhance classroom association. However, these things can only be facilitated when teachers are equipped with better teaching techniques that use sound and accurate pedagogy. Pedagogy is the science and art of education. Its aims range from the full development of the human being to skills acquisition. In India, a project named Mission 10 x has been started by an esteemed IT Corporation Wipro as a faculty development programme (FDP) that particularly focus on elements that facilitated teachers in developing curriculum and new pedagogies that can lead to improvement in student engagement. This paper presents a study of these FDPs and examines (1) the parameters that help teachers in building new pedagogies (2) the extent to which appropriate usage of pedagogy is improved after the conduct of Mission 10 x FDPs, and (3) whether institutions differ in terms of their ability to convert usage of improved pedagogy into academic performance via these FDPs. The sample consisted of 2,236 students at 6 four-year engineering colleges and universities that completed several FDPs during 2012-2014. Many measures of usage of better pedagogy were linked positively with such FDPs, although some of the relationships were weak in strength. The results suggest that the usage of pedagogy were more benefited after conducting these FDPs and application of novel approaches in conducting classes.

Keywords: student engagement, critical thinking; achievement, student learning, pedagogy

Procedia PDF Downloads 413

Authors: Giancarlo La Marca, Engy Shokry, Fabio Villanelli

Abstract:

Epilepsy is one of the most common neurological disorders, with an estimated prevalence of 50 million people worldwide. Twenty five percent of the epilepsy population is represented in children under the age of 15 years. For antiepileptic drugs (AED), there is a poor correlation between plasma concentration and dose especially in children. This was attributed to greater pharmacokinetic variability than adults. Hence, therapeutic drug monitoring (TDM) is recommended in controlling toxicity while drug exposure is maintained. Carbamazepine (CBZ) is a first-line AED and the drug of first choice in trigeminal neuralgia. CBZ is metabolised in the liver into carbamazepine-10,11-epoxide (CBZE), its major metabolite which is equipotent. This develops the need for an assay able to monitor the levels of both CBZ and CBZE. The aim of the present study was to develop and validate a LC-MS/MS method for simultaneous quantification of CBZ and CBZE in dried blood spots (DBS). DBS technique overcomes many logistical problems, ethical issues and technical challenges faced by classical plasma sampling. LC-MS/MS has been regarded as superior technique over immunoassays and HPLC/UV methods owing to its better specificity and sensitivity, lack of interference or matrix effects. Our method combines advantages of DBS technique and LC-MS/MS in clinical practice. The extraction process was done using methanol-water-formic acid (80:20:0.1, v/v/v). The chromatographic elution was achieved by using a linear gradient with a mobile phase consisting of acetonitrile-water-0.1% formic acid at a flow rate of 0.50 mL/min. The method was linear over the range 1-40 mg/L and 0.25-20 mg/L for CBZ and CBZE respectively. The limit of quantification was 1.00 mg/L and 0.25 mg/L for CBZ and CBZE, respectively. Intra-day and inter-day assay precisions were found to be less than 6.5% and 11.8%. An evaluation of DBS technique was performed, including effect of extraction solvent, spot homogeneity and stability in DBS. Results from a comparison with the plasma assay are also presented. The novelty of the present work lies in being the first to quantify CBZ and its metabolite from only one 3.2 mm DBS disc finger-prick sample (3.3-3.4 µl blood) by LC-MS/MS in a 10 min. chromatographic run.

Keywords: carbamazepine, carbamazepine-10, 11-epoxide, dried blood spots, LC-MS/MS, therapeutic drug monitoring

Procedia PDF Downloads 409

Authors: Asma Rebaya, Kaouther Gasmi, Imen Amari, Salem Hasnaoui

Abstract:

Over these last years, applications such as telecommunications, signal processing, digital communication with advanced features (Multi-antenna, equalization..) witness a rapid evaluation accompanied with an increase of user exigencies in terms of latency, the power of computation… To satisfy these requirements, the use of hardware/software systems is a common solution; where hardware is composed of multi-cores and software is represented by models of computation, synchronous data flow (SDF) graph for instance. Otherwise, the most of the embedded system designers utilize Simulink for modeling. The issue is how to simplify the c code generation, for a multi-cores platform, of an application modeled by Simulink. To overcome this problem, we propose a workflow allowing an automatic transformation from the Simulink model to the SDF graph and providing an efficient schedule permitting to optimize the number of cores and to minimize latency. This workflow goes from a Simulink application and a hardware architecture described by IP.XACT language. Based on the synchronous and hierarchical behavior of both models, the Simulink block diagram is automatically transformed into an SDF graph. Once this process is successfully achieved, the scheduler calculates the optimal cores’ number needful by minimizing the maximum density of the whole application. Then, a core is chosen to execute a specific graph task in a specific order and, subsequently, a compatible C code is generated. In order to perform this proposal, we extend Preesm, a rapid prototyping tool, to take the Simulink model as entry input and to support the optimal schedule. Afterward, we compared our results to this tool results, using a simple illustrative application. The comparison shows that our results strictly dominate the Preesm results in terms of number of cores and latency. In fact, if Preesm needs m processors and latency L, our workflow need processors and latency L'< L.

Keywords: hardware/software system, latency, modeling, multi-cores platform, scheduler, SDF graph, Simulink model, workflow

Procedia PDF Downloads 260

Authors: Edmar N. Franquera, Renato C. Mabesa, Rene Rafael C. Espino, Edralina P. Serrano, Eduardo P. Paningbatan Jr.

Abstract:

The potential of growing lettuce with different colored plastic mulch silver (control), red, orange, yellow and green was evaluated using two lettuce varieties, Looseleaf and Romaine. The experiment was laid out on split plot design following the Randomized Complete Block Design. The Looseleaf variety had better performance in terms of plant fresh weight, leaf fresh weight, leaf dry weight, root length, plant height and yield. However, better response was observed in Romaine in terms of leaf diameter, leaf length, root dry weight and root fresh weight. The color of the mulch reflected different qualities of light and hence the quality of absorbed light by the lettuce plants. A higher Far red and red ratio (FR:R) was obtained from green plastic mulch which was followed by the red plastic mulch. The different colored plastic mulch affected the growth and developmental responses of leaf lettuce morphological and leaf anatomical characteristics. Data in all growth morphological and yield parameters showed that those grown with red plastic mulch had better response and had longer stomates than those lettuce grown with the other colored plastic mulch. The soil temperature 10 cm below the plastic mulch was significantly influenced by the color of the mulch. The red plastic mulch had the highest soil temperature recorded while the lowest soil temperature recorded was within the yellow plastic mulch.

Keywords: anatomical, lettuce, morpholological, plastic mulch

Procedia PDF Downloads 536

Authors: Chia Jui Hsieh, Jyh Cheng Chen, Chih Wei Kuo, Ruei Teng Wang, Woei Chyn Chu

Abstract:

Compressed sensing (CS) based computed tomographic (CT) reconstruction algorithm utilizes total variation (TV) to transform CT image into sparse domain and minimizes L1-norm of sparse image for reconstruction. Different from the traditional CS based reconstruction which only calculates x-coordinate and y-coordinate TV to transform CT images into sparse domain, we propose a multi-directional TV to transform tomographic image into sparse domain for low-dose reconstruction. Our method considers all possible directions of TV calculations around a pixel, so the sparse transform for CS based reconstruction is more accurate. In 2D CT reconstruction, we use eight-directional TV to transform CT image into sparse domain. Furthermore, we also use 26-directional TV for 3D reconstruction. This multi-directional sparse transform method makes CS based reconstruction algorithm more powerful to reduce noise and increase image quality. To validate and evaluate the performance of this multi-directional sparse transform method, we use both Shepp-Logan phantom and a head phantom as the targets for reconstruction with the corresponding simulated sparse projection data (angular sampling interval is 5 deg and 6 deg, respectively). From the results, the multi-directional TV method can reconstruct images with relatively less artifacts compared with traditional CS based reconstruction algorithm which only calculates x-coordinate and y-coordinate TV. We also choose RMSE, PSNR, UQI to be the parameters for quantitative analysis. From the results of quantitative analysis, no matter which parameter is calculated, the multi-directional TV method, which we proposed, is better.

Keywords: compressed sensing (CS), low-dose CT reconstruction, total variation (TV), multi-directional gradient operator

Procedia PDF Downloads 252

Authors: H. Tounsadi, A. Khalidi, M. Abdennouri, N. Barka

Abstract:

The objective of this study was to produce high quality activated carbons from Diplotaxis harra biomass by potassium hydroxide activation and their application for heavy metals removal. To reduce the number of experiments, full factorial experimental design at two levels were carried out to occur optimal preparation conditions and better conditions for the removal of cadmium and cobalt ions from aqueous solutions. The influence of different variables during the activation process, such as carbonization temperature, activation temperature, activation time and impregnation ratio (g KOH/g carbon) have been investigated, and the best production conditions were determined. The experimental results showed that removal of cadmium and cobalt ions onto activated carbons was more sensitive to methylene blue index instead of iodine number. Although, the removal of cadmium and cobalt ions is more influenced by activation temperature with a negative effect followed by the impregnation ratio with a positive impact. Based on the statistical data, the best conditions for the removal of cadmium and cobalt by prepared activated carbons have been established. The maximum iodine number and methylene blue index obtained under these conditions and the greater sorption capacities for cadmium and cobalt were investigated. These sorption capacities were greater than those of a commercial activated carbon used in water treatment.

Keywords: activated carbon, cadmium, cobalt, Diplotaxis harra, experimental design, potassium hydroxide

Procedia PDF Downloads 196

Authors: Laura M. Schwarz

Abstract:

WebQuests are an internet-based interactive teaching/learning tool and utilize a scaffolded methodology. WebQuests employ critical thinking, afford inquiry-based constructivist learning, and readily employ Bloom’s Taxonomy. WebQuests have generally been used as instructional technology tools in primary and secondary education and have more recently grown in popularity in higher education. The study of the efficacy of WebQuests as an instructional approach to learning, however, has been limited, particularly in the nursing education arena. The purpose of this mixed-methods study was to determine nursing students’ perceptions of the effectiveness of the Nursing WebQuest as a teaching/learning strategy for holistic nursing-related content. Quantitative findings (N=42) suggested that learners were active participants, used reflection, thought of new ideas, used analysis skills, discovered something new, and assessed the worth of something while taking part in the WebQuests. Qualitative findings indicated that participants found WebQuest positives as easy to understand and navigate; clear and organized; interactive; good alternative learning format, and used a variety of quality resources. Participants saw drawbacks as requiring additional time and work; and occasional failed link or link causing them to lose their location in the WebQuest. Recommendations include using larger sample size and more diverse populations from various programs and universities. In conclusion, WebQuests were found to be an effective teaching/learning tool as positively assessed by study participants.

Keywords: holistic nursing, nursing education, teaching/learning strategy, WebQuests

Procedia PDF Downloads 124

Authors: Graziella Ziino, Filippo Giarratana, Stefania Maria Marotta, Alessandro Giuffrida, Antonio Panebianco

Abstract:

In Europe, North America and Japan, campylobacteriosis is one of the leading food-borne bacterial illnesses, often related to the consumption of poultry meats and/or by-products. The aim of this study was the evaluation of Campylobacter contamination of poultry meats marketed in Sicily (Italy) using both traditional methods and Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry (MALDI-TOF MS). MALDI-TOF MS is considered a promising rapid (less than 1 hour) identification method for food borne pathogens bacteria. One hundred chicken and turkey meat preparations (no. 68 hamburgers, no. 21 raw sausages, no. 4 meatballs and no. 7 meat rolls) were taken from different butcher’s shops and large scale retailers and submitted to detection/enumeration of Campylobacter spp. according to EN ISO 10272-1:2006 and EN ISO 10272-2:2006. Campylobacter spp. was detected with general low counts in 44 samples (44%), of which 30 from large scale retailers and 14 from butcher’s shops. Chicken meats were significantly more contaminated than turkey meats. Among the preparations, Campylobacter spp. was found in 85.71% of meat rolls, 50% of meatballs, 44.12% of hamburgers and 28.57% of raw sausages. A total of 100 strains, 2-3 from each positive samples, were isolated for the identification by phenotypic, biomolecular and MALDI-TOF MS methods. C. jejuni was the predominant strains (63%), followed by C. coli (33%) and C. lari (4%). MALDI-TOF MS correctly identified 98% of the strains at the species level, only 1% of the tested strains were not identified. In the last 1%, a mixture of two different species was mixed in the same sample and MALDI-TOF MS correctly identified at least one of the strains. Considering the importance of rapid identification of pathogens in the food matrix, this method is highly recommended for the identification of suspected colonies of Campylobacteria.

Keywords: campylobacter spp., Food Microbiology, matrix-assisted laser desorption ionization-time of flight mass spectrometry, rapid microbial identification

Procedia PDF Downloads 281

Authors: N. A. D. P. Niwunhella, W. G. R. C. K. Sirisena

Abstract:

Appendicitis is one of the most encountered abdominal emergencies worldwide. Proper clinical diagnosis and appendicectomy with minimal post operative complications are therefore priorities. Aim of this study was to ascertain the overall management of acute appendicitis in Sri Lanka in special preference to delayed primary suturing of the surgical site, comparing other local and international treatment outcomes. Data were collected prospectively from 155 patients who underwent appendicectomy following clinical and radiological diagnosis with ultrasonography. Histological assessment was done for all the specimens. All perforated appendices were managed with delayed primary closure. Patients were followed up for 28 days to assess complications. Mean age of patient presentation was 27 years; mean pre-operative waiting time following admission was 24 hours; average hospital stay was 72 hours; accuracy of clinical diagnosis of appendicitis as confirmed by histology was 87.1%; post operative wound infection rate was 8.3%, and among them 5% had perforated appendices; 4 patients had post operative complications managed without re-opening. There was no fistula formation or mortality reported. Current study was compared with previously published data: a comparison on management of acute appendicitis in Sri Lanka vs. United Kingdom (UK). The diagnosis of current study was equally accurate, but post operative complications were significantly reduced - (current study-9.6%, compared Sri Lankan study-16.4%; compared UK study-14.1%). During the recent years, there has been an exponential rise in the use of Computerised Tomography (CT) imaging in the assessment of patients with acute appendicitis. Even though, the diagnostic accuracy without using CT, and treatment outcome of acute appendicitis in this study match other local studies as well as with data compared to UK. Therefore CT usage has not increased the diagnostic accuracy of acute appendicitis significantly. Especially, delayed primary closure may have reduced post operative wound infection rate for ruptured appendices, therefore suggest this approach for further evaluation as a safer and an effective practice in other hospitals worldwide as well.

Keywords: acute appendicitis, computerised tomography, diagnostic accuracy, delayed primary closure

Procedia PDF Downloads 158

Authors: Tuba Tekin, Nurcan Baglam, Emine Dincer

Abstract:

This study aimed to examine the effects of nutrition education received by university students on sustainable healthy eating behaviors and adherence to the Mediterranean diet. The 2nd, 3rd, and 4th-grade university students studying at the Faculty of Health Sciences, Nutrition and Dietetics, Midwifery, Nursing, Physical Therapy, and Rehabilitation departments of universities in Turkey were included in the study. Students' adherence to the Mediterranean diet was evaluated using the Mediterranean Diet Adherence Scale, and their sustainable and healthy eating behaviors were evaluated using the Sustainable and Healthy Eating Behaviors Scale. In addition, the body weight and height of the students were measured by the researchers, and the Body Mass Index (BMI) value was calculated. A total of 181 students, 85 of whom were studying in the Department of Nutrition and Dietetics and 96 of whom were educated in other departments, were included in the study. 75.7% of the students in the sample are female, while 24.3% are male. The average body weight of the students was 61.17±10.87 kg, and the average BMI was 22.04±3.40 kg/m2. While the mean score of the Mediterranean Diet Adherence Scale was 6.72±1.84, in the evaluation of adherence to the Mediterranean diet, it was determined that 25.4% of the students had poor adherence and 66.9% needed improvement. When the adherence scores of students who received and did not receive nutrition education were compared, it was discovered that the students who received nutrition education had a higher score (p<0.05). Students who received nutrition education had a higher total score on the Sustainable and Healthy Eating Behaviors scale (p<0.05). A moderately positive correlation was found between the Sustainable and Healthy Eating Behaviors scale total score and the Mediterranean Diet Adherence scores (p<0.05). As a result of the linear regression analysis, it was revealed that a 1-unit increase in the Mediterranean diet adherence score would result in a 1.3-point increase in the total score of the Sustainable and Healthy Eating Behaviors scale. Sustainable and healthy diets are important for improving and developing health and the prevention of diseases. The Mediterranean diet is defined as a sustainable diet model. The findings revealed the relationship between the Mediterranean diet and sustainable nutrition and showed that nutrition education increased knowledge and awareness about sustainable nutrition and increased adherence to the Mediterranean diet. For this reason, courses or seminars on sustainable nutrition can be organized during educational periods.

Keywords: healthy eating, Mediterranean diet, nutrition education, sustainable nutrition

Procedia PDF Downloads 73

Authors: Menouni Aziza, Chbihi Kaoutar, Duca Radu Corneliu, Gilissen Liesbeth, Bounou Salim, Godderis Lode, El Jaafari Samir

Abstract:

In Africa, environmental and occupational health risks are mostly underreported. The aim of this research is to develop and implement a sentinel surveillance system comprising training and guidance of occupational physicians (OC) who will report new work-related diseases in African countries. A group of 30 OC are recruited and trained in each of the partner countries (Morocco, Benin and Ethiopia). Each committed OC is asked to recruit 50 workers during a consultation in a time-frame of 6 months (1500 workers per country). Workers are asked to fill out an online questionnaire about their health status and work conditions, including exposure to 20 chemicals. Urine and blood samples are then collected for human biomonitoring of common exposures. Some preliminary results showed that 92% of the employees surveyed are exposed to physical constraints, 44% to chemical agents, and 24% to biological agents. The most common physical constraints are manual handling of loads, noise pollution and thermal pollution. The most frequent chemical risks are exposure to pesticides and fuels. This project will allow a better understanding of effective sentinel systems as a promising method to gather high quality data, which can support policy-making in terms of preventing emerging work-related diseases.

Keywords: sentinel system, occupational diseases, human biomonitoring, Africa

Procedia PDF Downloads 76

Authors: Aditya Manna

Abstract:

Introduction: As in any developing countries state of West Bengal in India has a huge burden of cancer patients in advanced stage coming from rural area where awareness regarding the usefulness of palliative care in rather poor. Objective: Our goal is to give a pain free good quality of life in these advanced stage cancer patients. Objective of this study is to identify the main difficulties in achieving the above goal in a rural village setting in India. Method: Advanced cancer patients in need of palliative care in various villages in of rural India were selected for this study. Their symptoms and managements in that rural surroundings were evaluated by an NGO (under the guidance of a senior palliative care specialist) working in that area. An attempt was made to identify the main obstacles in getting proper palliative care in a rural setting. Results: Pain, fatigue are the main symptoms effecting these patients. In most patients pain and other symptoms control were grossly inadequate due to lack of properly trained manpower in the rural India. However regular homecare visits by a group of social workers were of immense help in the last few months of life. NGO team was well guided by a palliative care specialist. Conclusion: There is a wide gap of trained manpower in this filled in rural areas of India. Dedicated groups from rural area itself need encouragement and proper training, so that difficult symptoms can be managed locally along with necessary social and psychological support to these patients.

Keywords: palliative care, NGO, rural India, home care

Procedia PDF Downloads 292

Authors: Ching-Yuan Chen, Lung-Kwang Pan

Abstract:

Objective: Back pain is a major health problem costing billions of health budgets annually in Taiwan. Thousands of back pain surgeries are performed annually with up to 40% of patients complaining of back pain at time of post-surgery causing failed back surgery syndrome (FBSS), although diagnosis in these patients may be complex. The aim of study is to assess the feasibility of using bone SPECT-CT imaging to localize the active lesions causing persistent, recurrent or new backache after spine surgery. Materials and Methods: Bone SPECT-CT imaging was performed after the intravenous injection of 20 mCi of 99mTc-MDP for all the patients with diagnosis of FBSS. Patients were evaluated using status of subjectively pain relief, functional improvement and degree of satisfaction by reviewing the medical records and questionnaires in a 2 more years’ follow-up. Results: We enrolled a total of 16 patients were surveyed in our hospital from Jan. 2015 to Dec. 2016. Four people on SPEC/CT imaging ensured significant lesions were undergone a revised surgery (surgical treatment group). The mean visual analogue scale (VAS) decreased 5.3 points and mean Oswestry disability index (ODI) improved 38 points in the surgical group. The remaining 12 on SPECT/CT imaging were diagnosed as no significant lesions then received drug treatment (medical treatment group). The mean VAS only decreased 2 .1 point and mean ODI improved 12.6 points in the medical treatment group. In the posttherapeutic evaluation, the pain of the surgical treatment group showed a satisfactory improvement. In the medical treatment group, 10 of the 12 were also satisfied with the symptom relief while the other 2 did not improve significantly. Conclusions: Findings on SPECT-CT imaging appears to be easily explained the patients' pain. We recommended that SPECT/CT imaging was a feasible and useful clinical tool to improve diagnostic confidence or specificity when evaluating patients with FBSS.

Keywords: failed back surgery syndrome, oswestry disability index, SPECT-CT imaging, 99mTc-MDP, visual analogue scale

Procedia PDF Downloads 166

Authors: Barbara Vojvodikova, Katerina Jupova, Iva Ticha

Abstract:

Cities in their historical evolution have always adapted their internal structure to the needs of society (for example protective city walls during classicism era lost their defense function, became unnecessary, were demolished and gave space for new features such as roads, museums or parks). Today it is necessary to modify the internal structure of the city in order to minimize the impact of climate changes on the environment of the population. This article discusses the results of the Urban Climate model owned by VITO, which was carried out as part of a project from the European Union's Horizon grant agreement No 730004 Pan-European Urban Climate Services Climate-Fit city. The use of the model was aimed at changes in land use and land cover in cities related to urban heat islands (UHI). The task of the application was to evaluate possible land use change scenarios in connection with city requirements and ideas. Two pilot areas in the Czech Republic were selected. One is Ostrava and the other Hodonín. The paper provides a demonstration of the application of the model for various possible future development scenarios. It contains an assessment of the suitability or inappropriateness of scenarios of future development depending on the temperature increase. Cities that are preparing to reconstruct the public space are interested in eliminating proposals that would lead to an increase in temperature stress as early as in the assignment phase. If they have evaluation on the unsuitability of some type of design, they can limit it into the proposal phases. Therefore, especially in the application of models on Local level - in 1 m spatial resolution, it was necessary to show which type of proposals would create a significant temperature island in its implementation. Such a type of proposal is considered unsuitable. The model shows that the building itself can create a shady place and thus contribute to the reduction of the UHI. If it sensitively approaches the protection of existing greenery, this new construction may not pose a significant problem. More massive interventions leading to the reduction of existing greenery create a new heat island space.

Keywords: climate model, heat islands, Hodonin, land use changes, Ostrava

Procedia PDF Downloads 133

Authors: Nioushasadat Haji Seyed Javadi, Ailar Hajimohammadi, Nasser Khalili

Abstract:

Currently, the recycling of plastic wastes has been the subject of much research attention, especially in pavement constructions, where virgin polymers can be replaced by recycled plastics for asphalt binder modification. Among the plastic types, recycled linear low-density polyethylene (RLLDPE) has been one of the common and largely available plastics for bitumen modification. However, it is important to note that during the recycling process, LLDPE can easily be contaminated with other plastic types, especially with low-density polyethylene (LDPE), high-density polyethylene (HDPE), and polypropylene (PP). The cross-contamination of LLDPE with other plastics lowers its quality and, consequently, can affect the asphalt modification process. This study aims to assess the effect of LLDPE cross-contamination on bitumen modification. To do so, samples of bitumen modified with LLDPE and blends of LLDPE with LDPE, HDPE, and PP were prepared and compared through physical and rheological evaluations. The experimental tests, including softening point, penetration, viscosity at 135 °C, and dynamic shear rheometer, were conducted. The results indicated that the effect of cross-contamination on softening point and rutting resistance was negligible. On the other side, penetration and viscosity were highly impacted. The results also showed that among contamination of LLDPE with the other plastic types, PP had the highest influence in comparison with HDPE and LDPE on changing the properties of the LLDPE- modified bitumen.

Keywords: recycled polyethylene, polymer cross-contamination, waste plastic, bitumen, rutting resistance

Procedia PDF Downloads 119

Authors: Nurcihan Hacioglu, Cigdem Gul, Murat Tosunoglu

Abstract:

In this article, the antibiogram and heavy metal resistance profile of the bacteria isolated from total 34 studied animals (Pelophylax ridibundus = 12, Mauremys rivulata = 14, Natrix natrix = 8) captured around the Biga Stream, are described. There was no database information on antibiogram and heavy metal resistance profile of bacteria from these area’s amphibians and reptiles. In this study, a total of 200 bacteria were successfully isolated from cloaca and oral samples of the aquatic amphibians and reptiles as well as from the water sample. According to Jaccard’s similarity index, the degree of similarity in the bacterial flora was quite high among the amphibian and reptile species under examination, whereas it was different from the bacterial diversity in the water sample. The most frequent isolates were A. hydrophila (31.5%), B. pseudomallei (8.5%), and C. freundii (7%). The total numbers of bacteria obtained were as follows: 45 in P. ridibundus, 45 in N. natrix 30 in M. rivulata, and 80 in the water sample. The result showed that cefmetazole was the most effective antibiotic to control the bacteria isolated in this study and that approximately 93.33% of the bacterial isolates were sensitive to this antibiotic. The Multiple Antibiotic Resistances (MAR) index indicated that P. ridibundus (0.95) > N. natrix (0.89) > M. rivulata (0.39). Furthermore, all the tested heavy metals (Pb+2, Cu+2, Cr+3, and Mn+2) inhibit the growth of the bacterial isolates at different rates. Therefore, it indicated that the water source of the animals was contaminated with both antibiotic residues and heavy metals.

Keywords: bacteriological quality, amphibian, reptile, antibiotic, heavy metal resistance

Procedia PDF Downloads 377

Authors: Mohammed H. Karim, Bestoon M. Faraj

Abstract:

Introduction: instrument separation is a common challenge in the endodontic field. Various techniques and technologies have been developed to improve the retrieval success rate. This study aimed to compare the effectiveness of a Dynamic Navigation System (DNS) and a three-dimensional microscope in retrieving broken rotary NiTi files when using trepan burs and the extractor system. Materials and Methods: Thirty maxillary first bicuspids with sixty separate roots were split into two comparable groups based on a comprehensive Cone-Beam Computed Tomography (CBCT) analysis of the root length and curvature. After standardised access opening, glide paths, and patency attainment with the K file (sizes 10 and 15), the teeth were arranged on 3D models (three per quadrant, six per model). Subsequently, controlled-memory heat-treated NiTi rotary files (#25/0.04) were notched 4 mm from the tips and fractured at the apical third of the roots. The C-FR1 Endo file removal system was employed under both guidance to retrieve the fragments, and the success rate, canal aberration, treatment time and volumetric changes were measured. The statistical analysis was performed using IBM SPSS software at a significance level of 0.05. Results: The microscope-guided group had a higher success rate than the DNS guidance, but the difference was insignificant (p > 0.05). In addition, the microscope-guided drills resulted in a substantially lower proportion of canal aberration, required less time to retrieve the fragments and caused a minor change in the root canal volume (p < 0.05). Conclusion: Although dynamically guided trephining with the extractor can retrieve separated instruments, it is inferior to three-dimensional microscope guidance regarding treatment time, procedural errors, and volume change.

Keywords: dynamic navigation system, separated instruments retrieval, trephine burs and extractor system, three-dimensional video microscope

Procedia PDF Downloads 91

Authors: Pablo Cardozo Herrera

Abstract:

In a dynamic market of Information Technology (IT) Service and with high quality demands and high performance requirements in decreasing costs, it is imperative that IT companies invest organizational effort in order to increase the effectiveness of their Information Technology Service Management (ITSM) processes through the improvement of ITSM project management and through solid support to the strategic decision-making process of IT directors. In this article, the author presents an analysis of common issues of IT companies around the world, with strategic needs of information unmet that provoke their ITSM processes and projects management that do not achieve the effectiveness and efficiency expected of their results. In response to the issues raised, the author proposes a framework consisting of an innovative theoretical framework model of ITSM management and a technological solution aligned to the Information Technology Infrastructure Library (ITIL) good practices guidance and ISO/IEC 20000-1 requirements. The article describes a research that proves the proposed framework is able to integrate, manage and coordinate in a holistic way, measurable and auditable, all ITSM processes and projects of IT organization and utilize the effectiveness assessment achieved for their strategic decision-making process increasing the process maturity level and improving the capacity of an efficient management.

Keywords: innovation in IT services, ITSM processes, ITIL and ISO/IEC 20000-1, IT service management, IT service excellence

Procedia PDF Downloads 391

Authors: Fengxia Li, Lufeng Zhang, Haibo Wang

Abstract:

The tight sandstone gas reservoir in the Xujiahe Formation of the Sichuan Basin has huge reserves, but its utilization rate is low. Fracturing and stimulation are indispensable technologies to unlock their potential and achieve commercial exploitation. Slickwater is the most widely used fracturing fluid system in the fracturing and renovation of tight reservoirs. However, its viscosity is low, its sand-carrying performance is poor, and the risk of sand blockage is high. Increasing the sand carrying capacity by increasing the displacement will increase the frictional resistance of the pipe string, affecting the resistance reduction performance. The variable viscosity slickwater can flexibly switch between different viscosities in real-time online, effectively overcoming problems such as sand carrying and resistance reduction. Based on a self-developed indoor loop friction testing system, a visualization device for proppant transport, and a HAAKE MARS III rheometer, a comprehensive evaluation was conducted on the performance of variable viscosity slickwater, including resistance reduction, rheology, and sand carrying. The indoor experimental results show that: 1. by changing the concentration of drag-reducing agents, the viscosity of the slippery water can be changed between 2~30mPa. s; 2. the drag reduction rate of the variable viscosity slickwater is above 80%, and the shear rate will not reduce the drag reduction rate of the liquid; under indoor experimental conditions, 15mPa. s of variable viscosity and slickwater can basically achieve effective carrying and uniform placement of proppant. The layered fracturing effect of the JiangX well in the dense sandstone of the Xujiahe Formation shows that the drag reduction rate of the variable viscosity slickwater is 80.42%, and the daily production of the single layer after fracturing is over 50000 cubic meters. This study provides theoretical support and on-site experience for promoting the application of variable viscosity slickwater in tight sandstone gas reservoirs.

Keywords: slickwater, hydraulic fracturing, dynamic sand laying, drag reduction rate, rheological properties

Procedia PDF Downloads 70

Authors: Dirson Santos De Campos, Deller James Ferreira, Anderson Cavalcante Gonçalves, Uyara Ferreira Silva

Abstract:

Rubrics to learning research provide many evaluation criteria and expected performance standards linked to defined student activity for learning and pedagogical objectives. Despite the rubric being used in education at all levels, academic literature on rubrics as a tool to support research in SQL Education is quite rare. There is a large class of SQL queries is syntactically correct, but certainly, not all are semantically correct. Detecting and correcting errors is a recurring problem in SQL education. In this paper, we usthe Rubric Abstract Framework (RAF), which consists of steps, that allows us to map the information to measure student performance guided by didactic objectives defined by the teacher as long as it is contextualized domain modeling by rubric. An empirical study was done that demonstrates how rubrics can mitigate student difficulties in finding logical errors and easing teacher workload in SQL education. Detecting and correcting logical errors is an important skill for students. Researchers have proposed several ways to improve SQL education because understanding this paradigm skills are crucial in software engineering and computer science. The RAF instantiation was using in an empirical study developed during the COVID-19 pandemic in database course. The pandemic transformed face-to-face and remote education, without presential classes. The lab activities were conducted remotely, which hinders the teaching-learning process, in particular for this research, in verifying the evidence or statements of knowledge, skills, and abilities (KSAs) of students. Various research in academia and industry involved databases. The innovation proposed in this paper is the approach used where the results obtained when using rubrics to map logical errors in query formulation have been analyzed with gains obtained by students empirically verified. The research approach can be used in the post-pandemic period in both classroom and distance learning.

Keywords: rubric, logical error, structured query language (SQL), empirical study, SQL education

Procedia PDF Downloads 179

Authors: Badar Khalid Hakim Alshabibi

Abstract:

This study aims to examine the determinants of corporate board diligence in the listed firm in Sultanate of Oman, using four corporate board characteristics, the board size, board independence, board gender diversity, and nationality diversity. Design/methodology/approach: Using a sample comprised of all companies listed in the Muscat Securities Exchange over a ten-year period (2009–2019), the study applies Pooled OLS regression to examine the determinants of corporate board diligence. Findings: Drawing from the agency theory and institutional theory, the results reveal that the number of independent board members had statistical significance, suggesting that board independence can improve corporate board diligence, though board size and nationality diversity were found to have a negative association with corporate board diligence. There is no evidence, however, that board gender diversity improves corporate board diligence. Practical implications: The study provides insights for both the investors and regulatory authorities in developing economies. For the investors to be aware about the corporate board characteristics which enhance board monitoring, and for the regulatory authorities to consider revising the corporate governance codes which enhance the quality of governance practices. Originality/value: The study provides new evidence documenting the determinants of corporate board diligence in a developing country such as the Sultanate of Oman, which has a high potential for growth and attracting foreign investment, as stated in Oman vision 2040. In addition, this paper is the first to examine the association between corporate board diligence and corporate board diversity aspects.

Keywords: board diligence, board monitoring, board composition, board diversity, oman

Procedia PDF Downloads 211

Authors: Min Wu, Shuming Shen, Xuhong Yang, Rencheng Tang

Abstract:

Every year, numerous organic wastes from fiber byproducts of the wool textile industry, poor quality raw wools not fit for spinning, horns, nails and feathers from butchery are disposed. These wastes are abundant in keratin which is a renewable material. Wool fiber/keratin/PVA composites with different proportions were prepared in this study, and the influence of the proportions on their structure and properties were studied, aiming to understand the potential application of keratin in the field of biomedicine, degradable wrapper, and cosmetics film, and provide a new way to reuse keratin wastes. The urea / sodium sulfide / sodium dodecyl sulfate (SDS) method was used to dissolve the wool. After filtration and dialysis, the wool keratin solution was achieved. Then the keratin solution and polyvinal (PVA) solution were blended in different proportions, and the wool fibers cut into a certain length were cast into the blended solution. Thereby, various wool fiber/keratin/PVA composite films with different proportions were formed through pouring the solution into a flat box and drying at room temperature. The surface morphology, molecular structure, and mechanical property of the composite films were studied. The results showed that, there are α-helix structure, β-sheet and random coil conformations in the pure keratin film, as well as in the wool fiber. Compared with wool fiber, the crystallinity of keratin decreased. PVA can obviously improve the mechanical property of the blended film. When the blended ratio of keratin and PVA is 20:80, the mechanical property of the blended film is greatly improved. The composite films with 8%-16% of wool fibers have better flexibility than those without wool fibers.

Keywords: composite film, keratin, mechanical property, morphological structure, PVA, wool fiber

Procedia PDF Downloads 281

Authors: Kamilia Mebarki

Abstract:

The promotion of intercultural competence plays an important role in foreign language education. The outcome of intercultural educationalists‟ studies was the adoption of intercultural language learning and a modified version of the Communicative Competence that encompasses an intercultural component enabling language learners to communicate successfully interculturally. Intercultural Competencehas an even more central role in teaching English as a foreign language (EFL) since efforts are critical to preparing learners for intercultural communisation in our global world. In these efforts, EFL learning materials are a crucial stimulus for developing learners’ intercultural competence. There has been a continuous interest in the analysis of EFL textbooks by researcher all over the world. One specific area that has received prominent attention in recent years is a focus on how the cultural content of EFL materials promote intercultural competence. In the Algerian context, research on the locally produced EFL textbooks tend to focus on investigating the linguistic and communicative competence. The cultural content of the materials has not yet been systematically researched. Therefore, this study contributes to filling this gap by evaluating the locally published EFL textbook ‘New Prospects’ used at the high school level as well as investigating teachers’ views and attitudes on the cultural content of ‘New Prospects’ alongside two others locally produced EFL textbooks ‘Getting Through’ and ‘At the Crossroad’ used at high school level. To estimate the textbook’s potential of developing intercultural competence, mixed methods, a combination of quantitative and qualitative data collection, was used in the material evaluation analysed via content analysis and in the survey questionnaire and interview with teachers.Data collection and analysis were supported by the frameworks developed by the researcher for analysing the textbook, questionnaire, and interview. Indeed, based on the literature, three frameworks/ models are developed in this study to analyse, on one hand, the cultural contexts and themes discussed in the material that play an important role in fostering learners’ intercultural awareness. On the other hand, to evaluate the promotion of developing intercultural competence.

Keywords: intercultural communication, intercultural communicative competence, intercultural competence, EFL materials

Procedia PDF Downloads 89

Authors: Fares Elturki, Shaban Ismael Albrka Ali Zangena, H. A. M. Yahia

Abstract:

Safety is an important consideration in the design and operation of streets and highways. Traffic and highway engineers working with law enforcement officials are constantly seeking for better methods to ensure safety for motorists and pedestrians. Also, a highway safety improvement process involves planning, implementation, and evaluation. The planning process requires that engineers collect and maintain traffic safety data, identify the hazards location, conduct studies and establish project priorities. Unfortunately, in Libya, the increase in demand for private transportation in recent years, due to poor or lack of public transportation led to some traffic problems especially in the capital (Tripoli). Also, the growth of private transportation has significant influences on the society regarding road traffic accidents (RTAs). This study investigates the most critical factors affect RTAs in Tripoli the capital city of Libya. Four main classifications were chosen to build the questionnaire, namely; human factors, road factors, vehicle factors and environmental factors. Moreover, a quantitative method was used to collect the data from the field, the targeted sample size 400 respondents include; drivers, pedestrian and passengers and relative importance index (RII) were used to rank the factors of one group and between all groups. The results show that the human factors have the most significant impacts compared with other factors. Also, 84% of respondents considered the over speeding as the most significant factor cusses of RTAs while 81% considered the disobedience to driving regulations as the second most influential factor in human factors. Also, the results showed that poor brakes or brake failure factor a great impact on the RTAs among the vehicle factors with nearly 74%, while 79% categorized poor or no street lighting factor as one of the most effective factors on RTAs in road factors and third effecting factor concerning all factors. The environmental factors have the slights influences compared with other factors.

Keywords: road traffic accidents, Libya, vehicle factors, human factors, relative importance index

Procedia PDF Downloads 269

Authors: Adedayo Jeremiah Adeyekun, Samuel Oluwagbemiga Ishola,

Abstract:

This paper is an assessment of factors influencing the cost and time performance of subcontractors and the need for effective performance of subcontractors at the project sites. The factors influencing the performance of subcontractors are grouped, similar to those identified with the project or an organization and on another hand, there are significant factors influencing the performance of the subcontractors. These factors incorporate management level leadership, time required to complete the project, profit, staff capability/expertise, reputation, installment method, organization history, and project procurement method strategy, security, bidding technique, insurance, bond and relationship with the major contractors. The factors influencing the management of subcontractors in building development projects includes performance of significant past projects, standard of workmanship, consistence with guidelines, regular payment to labourers, adherence to program, regularity and viability of communication with main contractor, adherence to subcontract necessities. Other factors comprise adherence to statutory environmental regulations, number of experienced sites administrative staff, inspection and maintenance of good workplace, number of artisans and workers, quality of as-built and shop drawings and ability to carry out the quantity of work and so on. This study also aimed to suggest a way forward to improve the performance of subcontractors which is the reason for exceeding budget at the project sites. To carry out this study, a questionnaire was drafted to derive information on the causes of low performance of subcontractors and the implication to cost.

Keywords: performance, contractor, subcontractors, construction

Procedia PDF Downloads 69

Authors: Elnaz Lalezari, Ramin Ghasemi Shaya

Abstract:

The birth way is influenced by a fracture within the quiet care handle, making a brokenness of this final one. The pregnant lady has got to interface with numerous experts, both amid the pregnancy, the childbirth, and the puerperium. Be that as it may, amid the final ten a long time, there has been an expanding of the pregnancy care worked by the midwife, who is considered to be the administrator with the correct competences, who can beware of each pregnancy and may profit herself of other professionals' commitments in arrange to make strides the results of maternal and neonatal health. To confirm whether there are proofs of viability that bolster the caseload birthing assistance care show, and in case it is conceivable to apply this show within the birth way in Italy. A amendment of writing has been done utilizing a few look motor (Google, Bing) and particular databases (MEDLINE, CINAHL, Embase, Domestic - ClinicalTrials.gov). There has, too, been a discussion of the Italian directions, the national rules, and the proposals of WHO. Results: The look string, legitimately adjusted to the three databases, has given the taking after comes about: MEDLINE 64 articles, CINAHL 94 articles, Embase 88 articles. From this choice, 14 articles have been extricated: 1 orderly survey, 3 controlled arbitrary trial, 7 observational ponders, 3 subjective studies. The caseload maternity care appears to be an successful and dependable organisational/caring strategy. It reacts to the criterions of quality and security, to the requirements of ladies not as it were amid the pregnancy but moreover amid the post-partum stage. For these reasons, it appears exceptionally valuable also for the birth way within the Italian reality.

Keywords: midwifery, care, caseload, maternity

Procedia PDF Downloads 124

Authors: Krishna Dahiya, Esha Charaya

Abstract:

Induction of labour is a common obstetrical intervention. Around 1 in every 4 patient undergo induction of labour for different indications Purpose: To study the efficacy of the combination of Foley bulb and vaginal misoprostol in comparison to vaginal misoprostol alone for cervical ripening and induction of labour. Methods: A prospective randomised study was conducted on 150 patients with term singleton pregnancy admitted for induction of labour. Seventy-five patients were induced with both Foley bulb, and vaginal misoprostol and another 75 were given vaginal misoprostol alone for induction of labour. Both groups were then compared with respect to change in Bishop score, induction to the active phase of labour interval, induction delivery interval, duration of labour, maternal complications and neonatal outcomes. Data was analysed using statistical software SPSS version 11.5. Tests with P,.05 were considered significant. Results: The two groups were comparable with respect to maternal age, parity, gestational age, indication for induction, and initial Bishop scores. Both groups had a significant change in Bishop score (2.99 ± 1.72 and 2.17 ± 1.48 respectively with statistically significant difference (p=0.001 S, 95% C.I. -0.1978 to 0.8378). Mean induction to delivery interval was significantly lower in the combination group (11.76 ± 5.89 hours) than misoprostol group (14.54 ± 7.32 hours). Difference was of 2.78 hours (p=0.018,S, 95% CI -5.1042 to -0.4558). Induction to delivery interval was significantly lower in nulliparous women of combination group (13.64 ± 5.75 hours) than misoprostol group (18.4±7.09 hours), and the difference was of 4.76 hours (p=0.002, S, 95% CI 1.0465 to 14.7335). There was no difference between the groups in the mode of delivery, infant weight, Apgar score and intrapartum complications. Conclusion: From the present study it was concluded that addition of Foley catheter to vaginal misoprostol have the synergistic effect and results in early cervical ripening and delivery. These results suggest that the combination may be used to achieve timely and safe delivery in the presence of an unfavorable cervix. A combination of the Foley bulb and vaginal misoprostol resulted in a shorter induction-to-delivery time when compared with vaginal misoprostol alone without increasing labor complications.

Keywords: Bishop score, Foley catheter, induction of labor, misoprostol

Procedia PDF Downloads 303

Authors: Fatima Saeed, Abdullah Mudassar

Abstract:

Introduction: Patient safety remains a global priority in the ever-evolving healthcare landscape. At the forefront of this endeavor are the International Patient Safety Goals (IPSGs), a standardized framework designed to mitigate risks and elevate the quality of care. Doctors, positioned as primary caregivers, wield a pivotal role in upholding and adhering to IPSGs, underscoring the critical significance of their knowledge and understanding of these goals. This research embarks on a comprehensive exploration into the depth of Doctors ' comprehension of IPSGs, aiming to unearth potential gaps and provide insights for targeted educational interventions. Established by influential healthcare bodies, including the World Health Organization (WHO), IPSGs represent a universally applicable set of objectives spanning crucial domains such as medication safety, infection control, surgical site safety, and patient identification. Adherence to these goals has exhibited substantial reductions in adverse events, fostering an overall enhancement in the quality of care. This study operates on the fundamental premise that an informed Doctors workforce is indispensable for effectively implementing IPSGs. A nuanced understanding of these goals empowers Doctors to identify potential risks, advocate for necessary changes, and actively contribute to a safety-centric culture within healthcare institutions. Despite the acknowledged importance of IPSGs, there is a growing concern that nurses may need more knowledge to integrate these goals into their practice seamlessly. Methodology: A Comprehensive research methodology covering study design, setting, duration, sample size determination, sampling technique, and data analysis. It introduces the philosophical framework guiding the research and details material, methods, and the analysis framework. The descriptive quantitative cross-sectional study in teaching care hospitals utilized convenient sampling over six months. Data collection involved written informed consent and questionnaires, analyzed with SPSS version 23, presenting results graphically and descriptively. The chapter ensures a clear understanding of the study's design, execution, and analytical processes. Result: The survey results reveal a substantial distribution across hospitals, with 34.52% in MTIKTH and 65.48% in HMC MTI. There is a notable prevalence of patient safety incidents, emphasizing the significance of adherence to IPSGs. Positive trends are observed, including 77.0% affirming the "time-out" procedure, 81.6% acknowledging effective healthcare provider communication, and high recognition (82.7%) of the purpose of IPSGs to improve patient safety. While the survey reflects a good understanding of IPSGs, areas for improvement are identified, suggesting opportunities for targeted interventions. Discussion: The study underscores the need for tailored care approaches and highlights the bio-socio-cultural context of 'contagion,' suggesting areas for further research amid antimicrobial resistance. Shifting the focus to patient safety practices, the survey chapter provides a detailed overview of results, emphasizing workplace distribution, patient safety incidents, and positive reflections on IPSGs. The findings indicate a positive trend in patient safety practices with areas for improvement, emphasizing the ongoing need for reinforcing safety protocols and cultivating a safety-centric culture in healthcare. Conclusion: In summary, the survey indicates a positive trend in patient safety practices with a good understanding of IPSGs among participants. However, identifying areas for potential improvement suggests opportunities for targeted interventions to enhance patient safety further. Ongoing efforts to reinforce adherence to safety protocols, address identified gaps, and foster a safety culture will contribute to continuous improvements in patient care and outcomes.

Keywords: infection control, international patient safety, patient safety practices, proper medication

Procedia PDF Downloads 51

Authors: Abdulmajeed Mustapha, Murat Sahin, Ebru Karahan

Abstract:

Low-income housing for poor people in urban areas is a global challenge, especially in developing countries. The quality of construction of mass housing is oftentimes compromised, thus resulting in a housing deficit, thereby affecting the residential satisfaction of users. This research analyses the various factors affecting residential satisfaction in War College Housing Estate, Abuja, Nigeria. These were investigated using parameters such as environmental characteristics and public amenities such as public benefits, safety/security, and sociodemographic characteristics. The study adopted a quantitative approach for the data gathering through literature reviews within the topic’s scope. The survey was conducted between April to May 2021 using a questionnaire form that was distributed to household members, onsite analysis within the selected housing project, and interviews with a few professionals within the field of this research. Data gathered from the survey and analysis on housing and sociodemographic characteristics, amongst others, were acquired through the means of interviews and site surveys of the selected Housing Estate. Findings from the various characteristics determining satisfaction revealed that residents had varying levels of satisfaction, ranging from a scale of satisfied to dissatisfied. It is recommended that the government come up with policies that will not only make the environment clean and safe but also make sure that the needs of the people who live there are taken into account. This will help the people who live there be more satisfied with their homes.

Keywords: residential satisfaction, neighborhood satisfaction, low-income housing, socio-demographic characteristics, Nigeria

Procedia PDF Downloads 86

Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

Abstract:

Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

Procedia PDF Downloads 179