Prototropic and metallotropic migration of isolobal fragments on indol rings. Theoretical study and NBO analysis

Molecular structures, energies, NBO analysis and sigmatropic behaviour of 1-Indenyl(dihydro)borane (1) and 1-Indenyl-threecarbonylcobalt(I) (2) were investigated using DFT and ab initio molecular orbital methods. In these compounds BH2 and Co(CO)3 fragments areisolobal. The Results of calculations using B3LYP, HF and MP2methods [Basis set 6-311+G**] showed that -BH2 and -Co(CO)3 had similar behaviour in sigmatropic shifts. Prototropic shifts in compounds 1 and 2 have similar mechanisms too. Results showed that metallotrotropic shift is faster than Prototrpic shift in compounds 1 and 2. The activation energies (Ea) of Prototropic shift in compounds 1 and 2 are 18.83 and 17.38 kcal.mol-1. These energies are higher than -BH2 shifts in compound 1 (10.11 kcal.mol-1) or migration of -Co(CO)3 fragment in compound 2 (12.39 kcal.mol-1). Lower amount of activation energy in borotropic shift and cobalt`s fragment shift show that rotation of boron and cobalt on the indol ring can happen in the ambient temperature. Calculation results revealed that migration of proton and Co(CO)3 was carried out via suprafacial[1,2]-sigmatropic mechanism while -BH2 shift took place via antrafacial [1,3]-rearangment.Â

النظام الأوروبي لحماية حقوق الإنسان و الحريات العامة

عتبر الاهتمام بحقوق الإنسان من الأمور التي تعرضت لها القوانين الداخلية, حتى استحوذت على رعاية المجتمع الدولي و تم عقد عدة معاهدات متعلقة بهذا الموضوع, إلا انه في الوقت الذي كان فيه التقنين الدولي لحقوق الإنسان كبيراً, والضعف في الحماية الدولية لهذه الحقوق واضحاً, كان هناك تنظيم دولي موازٍ للتنظيم الدولي العام لحقوق الإنسان تمثل في التنظيم الدولي الإقليمي لهذه الحقوق و من هذه التنظيمات الإقليمية النظام الأوروبي الذي يعتبر الأكثر تطورا في مجال حماية حقوق الإنسان وحرياته الأساسية بفضل العديد من الاتفاقيات الأوروبية و الآليات التي تم اعتمادها برعاية مجلس أوروبا الذي يضم 47 بلد أوروبي بعضويته ومقره مدينة ستراسبورغ الفرنسية ومن أهم هذه الاتفاقيات الاتفاقية الأوروبية لحماية حقوق الإنسان. سنبين في بحثنا ماهية النظام الأوروبي لحماية حقوق الإنسان وأهدافه وأهميته و ذلك بهدف تقديم توصيات تبين مدى أمكانية الاستفادة منه كتجربة لتطور النظم المطبقة في منطقتنا العربية.         

شرط الثبات التّشريعي في عقود الدّولة ( وسيلة وقائيّة لتجنّب منازعات الاستثمار )

تعلن الدّولة عن سياستها الاقتصاديّة والاستثماريّة من خلال اعتماد تشريع معين ، ويأتي شرط الثبات التّشريعي ليعكس بوضوح المناخ الاستثماري الآمن والمستقرّ للدّولة المضيفة ، وكنتيجة طبيعيّة لعدم تساوي طرفي عقد الاستثمار ( دولة ذات سيادة وشخص خاصّ لا يتمتع بأيّ سيادة ) قد تنشأ منازعات في المرحلة اللاحقة على إبرام العقد ، وترجع في الأغلب إلى ممارسة الدولة لسيادتها على إقليمها ، وهنا يلعب شرط الثبات التشريعي دوراً هاماً في ضمان عدم قيام الدّولة بأي تعديل تشريعي من شأنه ان يرتب التزامات أو يؤثر سلباً على حقوق المستثمر الاجنبي المتعاقد معها .            

Effect of gait retraining on balance, activities of daily living, quality of life and depression in stroke patients

Objectives: Stroke is one of the most common neurological diseases and it is the main cause of physical and mental disability and staying in house. Gait difficulties have high incidence in patients with stroke. So the aim of this study was to investigate the effect of gait retraining on balance, activities of daily living, quality of life and depression in stroke patients Methods: This study was a clinical trial without control group. Sampling was performed by convenience sampling method and 18 patients participated. After recording demographic data, Berg Balance Scale, Barthel Index, SF36 questionnaire and Beck Depression Inventory-II used in pre-test and post-test to assess balance, activities of daily living, quality of life and depression, respectively. Data were analyzed using Pearson correlation coefficient and paired T-test. Results: The results showed statistically significant correlation in pre-test and difference between mean score of the all instruments before and after the intervention. Discussion: According to high prevalence of gait difficulties in stroke patients, it seems interventions in this area were necessary. Statistical results showed that the gait retraining intervention may have a positive effect on improving balance, activities of daily living, quality of life and depression of these patients. According to lack of information in this area, further research is needed

The Effect of Replacing Sorghum Grains with Corn Along with Phytase and NSP Enzymes on Yield and Blood Parameters of Broilers

In this research, the effects of replacing grain sorghum with corn along with phytase and NSP enzymes on the performance and blood parameters of broiler chickens were investigated. Different levels of grain sorghum (0, 5, and 10%) and two levels of phytase enzyme and NSP (0 and 0.1%) were used in feeding broilers. At the end of the period (42 days old), blood samples were taken and blood serum parameters were measured. During the test period, the amount of feed consumed, daily weight gain, food conversion ratio, and carcass characteristics were measured. The experimental treatments include 1- control diet (without sorghum and no enzyme), 2- control diet + without sorghum + 0.1 enzyme, 3- control diet + 5% sorghum + without enzyme, 4- control diet + 5% sorghum + 1 0. enzyme, 5- control diet + 10% sorghum + no enzyme and 6- control diet + 10% sorghum + 0.1 enzyme. The statistical design used in this experiment was a 2x3 factorial method in the form of a completely random design, with 6 treatments and 3 repetitions (15 chickens in each repetition), and a total of 270 Ross 308 strain broiler chickens were used. The results of the feed consumption showed that there was a statistically significant difference in the main effect of sorghum in the first and sixth weeks and in the main effect of enzyme only in the last week (p<0.05). The results of live weight gain showed that a statistically significant difference was observed only in the main effect of sorghum in the fifth and sixth weeks (p<0.05), (p<0.05) so the ratio without sorghum had the highest amount of live weight. The results of food conversion ratio showed that only in the main effect of sorghum, a statistically significant difference was observed in the fifth week (p<0.05), so the diet without sorghum showed the highest food conversion ratio. The results of the carcass traits showed that a statistically significant difference in the weight of the liver, spleen, pancreas, small intestine, large intestine and, cecum was observed only in the main effect of sorghum (p<0.05). The results of blood tests at the end of the experiment showed that there was a statistically significant difference in the amount of cholesterol, HDL, and LDL in the main effect of sorghum (p<0.05). The general results of the research showed that the addition of different levels of sorghum and enzymes in the diet did not have a favorable effect on the amount of feed consumption, live weight, and carcass traits, but the level of 10% sorghum improved the food conversion ratio in some weeks of the experiment

Investigation of Relationship between Level of Awareness around Health, Safety and Environment Management System and Its Effects on Safety Climate and Risk Perception by Employees in an Iran Oil Refinery, 2015

Special attention of and oil, gas and petrochemical large corporation in the world to the HSE management system is due to its importance in the designing and development of products, services and processes by considering its health, safety and environment requirements. Staff's perception of the existing job risks has a significant impact on their safe behavior at work. This study was conducted to determine the relationship between safety climate and staff's perception of risk with an awareness level among employees of the HSE management system in an oil refinery in Kermanshah. The study population was employees in one of the oil refineries in Iran. After designing and questionnaire psychometric assessment of staff knowledge of HSE management system (Cronbach's alpha was 0.9 and its validity was assessed by certified professionals), Loughborough safety climate questionnaire and Flin risk perception questionnaire were used. Data analysis was performed using SPSS V22 software. Results showed that the relationship between safety climate and awareness level of the HSE management system; also the relationship between safety climate and perception of risk was also getting significant. However, the relationship between perception of risk and awareness level of the HSE management system was not significant. The results of this study showed a moderate awareness of HSE Management System in refinery workers. In this regard, appropriate and proper management policy should be committed to improving the situation. The results of this study is a profile the situation of safety climate in the refinery, which can be used as an indicator for the development of preventive policies and evaluate the performance of the organization's safety and the results of the safety improvement organization

Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers

In this paper, electrical and structural properties of mono-, di-, tri- and tetrachlorothiophenes and their radical cations have been studied using the density functional theory and B3LYP method with 6-311++G** basis set. The effects of the number and position of the substituent of chlorine atoms on the properties of the thiophene ring for all chlorothiophenes and their radical cations have been studied. Vibrational frequencies, nuclear chemical shielding constants, spin-density distribution, size and direction of dipole moment vector, ionization potential, electric polarizabilities and NICS values of these compounds have been calculated as well. The analysis of these data showed that double bonds in 3-chlorothiophene are more delocalized and it is the best possible candidate monomer among all chlorothiophenes for the synthesis of corresponding conducting polymers with modified characteristics

Proteolytic system of the surface of Streptococcus thermophilus : Variability in the capacity of casein hydrolysis : Characterization of a novel peptide transport system

S. thermophilus est une bactérie largement employée dans la fabrication des produits laitiers. La capacité des souches de S. thermophilus à générer des peptides bioactifs à partir des caséines bovines a été étudiée. Dix souches exprimant différemment la protéase de surface, PrtS, ont été incubées en présence de la caséine [alpha]s1, [alpha]s2 ou [bêta]. Le nombre et le type de peptides libérés dépendent de la souche utilisée. Des peptides connus comme des peptides bioactifs ont été détectés : 13 peptides ont été générés à partir de la caséine [bêta], 5 peptides à partir de la caséine [alpha]s2 et 2 peptides à partir de la caséine [alpha]s1. L'utilisation de cette bactérie pour la production de tels peptides dans l'aliment requiert qu'elle en internalise le moins possible. Nous nous sommes intéressés aux systèmes de transport de peptides présents au sein de l'espèce S. thermophilus. Une collection de 22 souches de S. thermophilus a été choisie pour étudier la variabilité des systèmes de transport des peptides présents au sein de l'espèce. Toute d'abord, la proximité phylogénétique entre les souches a été évaluée par MLST, puis la variabilité génétique du système de transport des oligopeptides Ami et du transporteur de di- et tripeptides DtpT a été étudiée au sein de cette collection. Un cluster, composé de 4 gènes, annoté en tant que transporteur ABC de peptides et de nickel a été détecté au sein du génome de la souche LMD-9, et appelé Ots. Il est présent chez 9 sur 22 souches de S. thermophilus et est transcrit tout au long de la croissance en milieu M17. La caractérisation du système Ots suggère qu'il est impliqué dans l'internalisation de peptides de petites taillesS. thermophilus is a widely used bacterium in the manufacture of dairy products. The capacity of S. thermophilus to generate bioactive peptides from bovine caseins was studied. Ten strains expressing different levels of the cell envelope protease, PrtS, were incubated with [alpha]s1-, [alpha]s2- or [beta]-casein. Number and type of peptides released were strain-dependent. Peptides known as bioactive peptides were detected: 13 peptides were generated from [beta]-casein, 5 peptides from [alpha]s2-casein and 2 peptides from [alpha]s1-casein. The use of this bacterium for the production of such peptides in the food products requires the least internalization of these peptides by this bacterium. We were interested in knowing the peptide transport system present in the species S. thermophilus. A collection of 22 strains of S. thermophilus was chosen to study the genetic variability of peptide transport systems present within the species. First of all, we evaluated the phylogenetic proximity between selected strains by MLST, and then the genetic variability of the transport system of oligopeptides Ami and di- and tripeptides transporter, DtpT were studied in this collection. A cluster consisting of four genes, annotated as ABC transporter of peptides and nickel was detected in the genome of strain LMD-9, and called Ots. It is present in 9 of 22 strains of S. thermophilus and is transcribed throughout the growth in M17 medium. The Ots system seems to be involved in the internalization of smaller sized peptide

دور الأعراف lex mercatoria في التحكيم التجاري في مجال الاستثمار

تأتي إحدى السمات الأساسية للتحكيم التجاري الدولي من حقيقة أن قواعده تأخذ في الاعتبار بشدة استخدامات التجارة الدولية في تسوية النزاع الموكل إلى المحكمين. المادة 29-4 من قانون الأونسيترال النموذجي على سبيل المثال ، تشترط على هيئة التحكيم أن تحكم في جميع الحالات " وفقًا لشروط العقد " وأن تأخذ في الاعتبار " الأعراف التجارية المطبقة والتي تحكم المعاملة".  تشكل الأعراف التجارية الدولية جزءًا من مصادر القانون التجاري الدولي التي لا تعبر عن أي نظام قانوني حكومي والتي يُشار إليها عمومًا باسم  lex mercatoria. إن مراعاة الأعراف التجارية الدولية في تسوية النزاع يطرح في المقام الأول مشكلة قدرتها على التحكم الفعال في النزاع. في حالة إثبات هذه القدرة ، تنشأ المشكلة الثانية حول مدى الوظيفة التنظيمية لهذه الأعراف في التحكيم التجاري الدولي.