A Theoretical Study of the Docking of Medicines with some Proteins

دراسة نظرية لمجموعة مكونة من عشرة مركبات عقاقير تحتوي في التركيب الكيميائي على مجموعة أمينية. تم إدخال البيانات كنموذج للتنبؤ بأفضل قيم عملية محسوبة سابقا (log P). تم حساب قيم هذه الأدوية نظريًا باستخدام أنواع مختلفة من الحسابات وهي AM1 و PM3 و Hartree Fock بالاعتماد على قاعدة الاساس (HF / STO-3G). تم حساب البيانات الفيزيائية والكيميائية مثل (الانتروبي ، الطاقة الكلية ، طاقة جيبس ​​الحرة ، ... إلخ) والتي تلعب دورًا مهمًا في تنبؤ القيم العملية. إلى جانب ذلك ، تم ايجاد القيم HOMO و LUMO. تم ايجاد العلاقة الخطية ومعامل الارتباط بينهما من خلال استخدام البيانات التجريبية مع الخصائص الفيزيائية المحسوبة نظريا، واستخدم التحليل الإحصائي لتحليل البيانات مثل تحليل الانحدار الخطي المتعدد لاشتقاق نماذج العلاقة الكمية بينهم والتي تم تقييمها بشكل أكبر لحساب القيم . وجد انه هناك علاقة خطية ومعامل ارتباط أكثر من (0.980 ، 0.980 ، 0.978) لـ AM1 ، PM3 ، HF / STO-3G على التوالي. تم تطبيق دراسة التداخل لتفاعل الأدوية مع البروتين ، تم ربط جميع الأدوية بالبروتين لإعطاء أفضل طاقة لاستقرارهما. كان نيبافيناك (المركب رقم 8) يمتلك الطاقة الأكثر استقرارًا مع البروتين مقارنة بـ 4. حمض أمينوساليسيليك (المركب رقم 2) الذي يتمتع باستقرار أقل للطاقة.A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analyze the descriptors like multiple linear regression analysis performed to derive quantitative structure-activity relationship models which were further evaluated for the values of the prediction. The correlation coefficient gives an excellent relationship of more than (0.980, 0.980, and 0.978) for AM1, PM3, and HF/STO-3G respectively. A docking study was applied for the interaction of medicines with protein. All the drugs were connected with the protein to give the best energy stability for the docking mixtures. Nepafenac (compound No. 8) had the most stable energy with the protein compared with the 4-Aminosalicylic acid (compound No. 2) which had less energy stability

Payment Mechanisms for Integrated Teams in Construction

The overwhelming consensus for process andteam integration has emerged as an enabler tomanage construction projects. Theperformance of integrated teams is highlyaffected by the adopted payment mechanism.However, the payment mechanisms availablefor a project may need the team tocompromise in order to agree on a fairmechanism for as many members as possible.This paper introduces a methodology tosimulate the profiles of alternative paymentmechanisms. The methodology aims to helpproject teams define the most appropriatemechanism for each member. The proposedmethodology is therefore novel and superior toexisting cash flow models where the focus hasbeen limited to main contractors only. Topromote its use as a performance enablingmechanism, the methodology utilizes “theproject process map”, “the stakeholders &supply chain”, “the pricing method” and “thepayment mechanism”. This will act as an aid todesign or “fine-tune” payment mechanisms toindividual projects characteristics consideringpayment for off-site materials andcomponents, which always concerns projectfabricators and supply chain

Solar-Powered Mechanical Subcooling Refrigeration System for Hot Climates

This study investigates the performance of a solar-powered mechanical subcooling cycle to improve the performance of a refrigeration system in hot climates. The mechanical subcooling cycle helped the main refrigeration cycle by further subcool the refrigerant and improve the cooling capacity. The mechanical subcooling cycle used the energy generated by the solar photovoltaics to run its own compressor. The system was evaluated under Kuwait’s weather condition for a typical residential air conditioning (AC) unit of 5 tons of refrigeration (17.6 kW), where different refrigerants were examined in the mechanical subcooling cycle. The refrigerants considered in this study were R-410A, R-32, R-290, R-600, R-600a, R-1234yf, and R-1234ze(E). Parametric studies were performed using an equation solver software to understand the effect of the subcooling temperature and solar panel area on the overall performance of the refrigeration system. The results were compared with a baseline conventional refrigeration cycle using R-410A. The results show that the optimum subcooling temperature for the summer days in Kuwait ranges from 10°C to 20°C, while the best refrigerant that maximizes the overall performance of the system is R-600. In addition, the dedicated mechanical subcooling system improved the overall system COP between 5% up to 16% compared to the conventional system during the typical day of July which is the hottest month in Kuwait. The results also concluded that the solar panel area required to produce sufficient solar power to run the dedicated mechanical subcooling cycle is 3.9 m2 using a single-axis solar tracking system, which saves utility power during the summer months between 17-20%

Outcome of interim multidrug-resistant tuberculosis treatment in Yemen

Purpose: To assess the interim therapy outcomes of patients with multidrug-resistant tuberculosis (MDR-TB) in Yemen. Methods: This study was performed in four major tuberculosis (TB) centers in Yemen, namely, Alhodidah, Taiz, Sana’a, and Aden. Data were collected between January 1, 2014 and December 31, 2016, and consistent methods were adopted to obtain data from MDR-TB patients. The standardized WHO method of calculating and reporting the interim therapy outcomes patients enrolled in the study was applied, and the relation between dependent and independent variables was obtained by logistic regression. Results: A total of 85 MDR-TB cases were reported between January 1, 2014 and December 31, 2016. Of these cases, 62 reported available interim results. Among the 62 MDR-TB cases, only 40 (64.5 %) were categorized into successful interim therapy outcome group. This study found a baseline weight ≤ 40 kg, comorbidity, and first-line drug (FLD) resistance (> 3) as risk factors influencing unsuccessful interim therapy outcomes. Conclusion: This cohort study reports an alarmingly high rate of unsuccessful interim therapy outcomes among Yemeni MDR-TB patients. Enhancement of the clinical management of patients with a baseline weight ≤ 40 kg, comorbidity, and FLD resistance (>3) may improve TB therapy outcomes

MOBILE ROBOT MOTION CONTROL BASED ON CHAOTIC TRAJECTORY GENERATION

This paper introduces chaotic motion control of autonomous differential drive wheeled mobile robot to cover a certain surrounded area completely and as fast as possible. The suggested method was based on utilization of chaotic logistic map to accomplish a complete coverage of entire area. The trajectory is created by a microcontroller and fed to the designed robot using the proposed chaotic trajectory generator. The designed robot was occupied with infrared sensors to avoid the unforeseen obstacles during the navigation. The mathematical model of the designed robot and the motion control strategy were described in details. Computer simulation tests as well as the practical tests by using the designed robot show satisfactory results and confirm the success of the proposed method

In vitro evaluation and wound healing cream formulation of Acalypha indica Linn ethanolic extract

Plant-based drugs were used by ancient civilizations for treating various diseases. It is shown scientifically in recent studies that some remedies are effective. Acalypha indica Linn, is an annual shrub known in Malaysia as „Kucing Galak?. It is traditionally used by practitioner for wound-healing. In this study, Acalypha indica Linn aerial parts and roots were extracted using 30% ethanol. The extracts were standardized based on protein and polysaccharide content prior to further biochemical and cell tests. Aerial parts extract exhibited higher antioxidant ability compared to roots extract with IC50 of 62 µg/mL and 206 µg/mL, respectively. In cell studies, In vitro cytotoxicity was carried out on human skin fibroblast cells (HSF 1189). Both aerial parts and roots extracts showed low cytotoxicities towards (HSF 1189) with 753 µg/mL LD50 for aerial parts extract and undetected on root extract. Further investigation on wound healing showed higher wound closure percentage for both extracts compared to untreated control with 75% at1 µg/mL for aerial parts, 70% at 0.1 µg/mL for root extract and only 59% closure percentage for untreated control after 48h of the study. Finally, the extracts were formulated into oil-in-water (O/W) cream and then the physicochemical properties such as stability, viscosity and pH were determined

The renormalisation group equation of the universal extra dimension models

A thesis submitted to the Faculty of Science, University of the Witwatersrand, Johannesburg, in fulfilment of the requirements for the degree of Doctor of Philosophy. Johannesburg, December 2014.In this thesis the evolution equations of the Yukawa couplings and quark flavour mixings are derived for the one-loop renormalisation group equations in five and six-dimensional models, compactified in different possible ways to yield standard four space-time dimensions. Different possibilities for the matter fields are discussed, such as the case of bulk propagating or brane localized fields. We discuss in both cases the evolution of the Yukawa couplings, the Jarlskog parameter and the Cabibbo-Kobayashi-Maskawa matrix elements, finding that for both scenarios, as we run up to the unification scale, significant renormalisation group corrections are present. We also discuss the results of different observables of the five-dimensional universal extra dimension model in comparison with those of six-dimensional models and the model dependence of the results. We also studied the scaling of the mass ratios and the implications for the mixing angles in these six-dimensional model as well as the 5D Minimal Supersymmetric Standard Model on an S1/Z2 orbifold. The renormalisation group equation evolutions for the Higgs sector and for the neutrino sector in six-dimensional models are also investigated. The recent experimental results of the Higgs boson from the LHC allow, in some scenarios, stronger constraints on the cutoff scale to be placed, from the requirement of the stability of the Higgs potential

Effects of Vibration Located on the Steel Truss Bridges under Moving Load

Structural vibration control as an advanced technology in engineering consists of implementing energy dissipation devices or control systems into structures to reduce excessive structural vibration, enhance human comfort and prevent catastrophic structural failure due to strong winds and earthquakes, among other inputs. When the bridge carries heavy traffic, vibrations in the bridge structural elements subjected to high levels of stress. This tension bridge subjected to fatigue. This paper studies and focus the effects of vibration of steel truss bridges and finally to suggest future directions of research and innovation. The possibilities of modal properties of global and local vibration method in determining the structural changes in the truss bridges discussed located to the results of finite element analysis