Modeling and Docking Studies on Novel Mutants (K71L and T204V) of the ATPase Domain of Human Heat Shock 70 kDa Protein 1

The purpose of exploring protein interactions between human adenovirus and heat shock protein 70 is to exploit a potentially synergistic interaction to enhance anti-tumoral efficacy and decrease toxicity in cancer treatment. However, the protein interaction of Hsp70 with E1A32 kDa of human adenovirus serotype 5 remains to be elucidated. In this study, two residues of ATPase domain of human heat shock 70 kDa protein 1 (PDB: 1 HJO) were mutated. 3D mutant models (K71L and T204V) using PyMol software were then constructed. The structures were evaluated by PROCHECK, ProQ, ERRAT, Verify 3D and ProSA modules. All evidence suggests that all protein models are acceptable and of good quality. The E1A32 kDa motif was retrieved from UniProt ({"type":"entrez-protein","attrs":{"text":"P03255","term_id":"119020","term_text":"P03255"}}P03255), as well as subjected to docking interaction with NBD, K71L and T204V, using the Autodock 4.2 program. The best lowest binding energy value of −9.09 kcal/mol was selected for novel T204V. Moreover, the protein-ligand complex structures were validated by RMSD, RMSF, hydrogen bonds and salt bridge analysis. This revealed that the T204V-E1A32 kDa motif complex was the most stable among all three complex structures. This study provides information about the interaction between Hsp70 and the E1A32 kDa motif, which emphasizes future perspectives to design rational drugs and vaccines in cancer therapy.     

Polyunsaturated Fatty Acids and Modulation of Cholesterol Homeostasis in THP-1 Macrophage-Derived Foam Cells

Transformation of macrophages to foam cells is determined by the rates of cholesterol uptake and efflux. This study uses a real time RT-PCR technique to investigate the role of conjugated linoleic acid (CLA), α-linolenic acid (ALA) and eicosapentaenoic acid (EPA) in the regulation of the ATP-binding cassette A1 (ABCA1) and liver X receptor α (LXR) genes, which are involved in cholesterol homeostasis. Accordingly, these fatty acids significantly reduced the total, free and esterified cholesterols within the foam cells. While the expression of the ABCA1 and LXRα genes was increased in the presence of the pharmacological LXRα ligand, T0901317, their mRNA expression was not significantly affected by CLA, ALA and EPA. These results suggest that although polyunsaturated fatty acids have an effect on cholesterol homeostasis, they cannot change the expression of the ABCA1 and LXRα genes. Alternatively, several other genes and proteins may be involved.     

Influence of different nanoparticles on the gas injection performance in EOR operation: Parametric and CFD simulation study

This study aims to simulate the process of enhanced oil recovery (EOR) during gas injection along with nanoparticles and investigate the affecting parameters in a conventional carbonate oil reservoir. Ansys Fluent software with a suitable multiphase model was used to simulate natural gas injection with a nanoparticle into a core sample. The simulation model was validated with a laboratory test of natural gas injection. Then, to obtain the optimal values of each of the parameters affecting the process of EOR during the natural gas injection along with nanoparticles, the design of the experiment was carried out with the help of Qualitek-4 software and the Taguchi method. Therefore, three factors, including nanoparticle type (clay, titanium oxide, and silica nanoparticles), nanoparticle diameter (2–50 nm), and the volume fraction of nanoparticles in the base fluid (0.5–5 vol.%), as influential factors on the EOR during natural gas injection along with nanoparticles were chosen. The results of the numerical study indicated that silica nanoparticles significantly affect EOR more than clay and titanium oxide nanoparticles. Moreover, the smaller the diameter of nanoparticles (close to 2 nm) and the more significant the volume fraction of nanoparticles in the base fluid (close to 5 vol.%), the higher the oil recovery factor will be. This phenomenon occurs due to changes in the density and viscosity of the base fluid and, consequently, improves the mobility ratio of the injected fluid. On the other hand, the tiny size of nanoparticles allows them to easily enter the pores of the reservoir rock without entrapping and producing oil from them. Eventually, the highest oil recovery factor (59%) was obtained using silica nanoparticles with a diameter of 2 nm and a volume fraction of 5 vol.% in natural gas injection.     

Boost-wise pre-loaded mixture of experts for classification tasks

A modified version of Boosted Mixture of Experts (BME) is presented in this paper. While previous related works, namely BME, attempt to improve the performance by incorporating complementary features of a hybrid combining framework, they have some drawback. Analyzing the problems of previous approaches has suggested several modifications that have led us to propose a new method called Boost-wise Pre-loaded Mixture of Experts (BPME). We present a modification in pre-loading (initialization) procedure of ME, which addresses previous problems and overcomes them by employing a two-stage pre-loading procedure. In this approach, both the error and confidence measures are used as the difficulty criteria in boost-wise partitioning of problem space.

     

Association of coronary artery calcium score and vascular dysfunction in long‐term hemodialysis patients

Long‐term hemodialysis patients are prone to an exceptionally high burden of cardiovascular disease and mortality. The novel temperature‐based technology of digital thermal monitoring (DTM) of vascular reactivity appears associated with the severity of coronary artery disease in asymptomatic population. We hypothesized that in hemodialysis patients, the DTM and coronary artery calcium (CAC) score have a gradient association that follows that of subjects without kidney disease. We examined the cross‐sectional DTM‐CAC associations in a group of long‐term hemodialysis patients, and their 1:1 matched normal counterpart. Area under the curve for temperature (TMP‐AUC), the surrogate of the DTM index of vascular function, was assessed after a 5‐minute arm‐cuff reactive hyperemia test. Coronary calcium score was measured via electron beam computed tomography or multidetector computed tomography scan. We studied 105 randomly recruited hemodialysis patients (age: 58 ± 13 years, 47% men) and 105 age‐ and gender‐matched controls. In hemodialysis patients vs. controls, TMP‐AUC was significantly worse (114 ± 72 vs. 143 ± 80, P = 0.001) and CAC score was higher (525 ± 425 vs. 240 ± 332, P < 0.001). Hemodialysis patients were 14 times more likely to have CAC score >1000 as compared with controls. After adjustment for known confounders, the relative risk for case vs. control for each standard deviation decrease in TMP‐AUC was 1.46 (95% confidence interval: 1.12–1.93, P = 0.007). Vascular reactivity measured via the novel DTM technology is incrementally worse across CAC scores in hemodialysis patients, in whom both measures are even worse than their age‐ and gender‐matched controls. The DTM technology may offer a convenient and radiation‐free approach to risk‐stratify hemodialysis patients.     

A case study on energy and exergy analyses for an industrial-scale vertical roller mill assisted grinding in cement plant

In this study, the analyses of energy and exergy were implemented for an industrial-scale vertical roller mill (VRM) of Kerman Momtazan Cement Company (KMCC) of Iran. The energy and exergy analyses demonstrated the first law efficiency of the VRM is 62.1%, while the second law efficiency of the VRM is 34.6%. Comparing to the widely applied ball milling, the second law efficiency is 16.4% higher for the VRM than the ball mill. Results also showed when the classifier rotor speed increases from 53 to 65 rpm, the particle size of the product decreases from P_90µm = 18.2% to P_90µm = 10.8%, but the power consumption of the VRM unit increases from 19.7 to 22.3 kWh/t of raw materials. Finally, the power consumption of the VRM unit compared with 14 raw mill units around Iran and the international best available technology (IBAT). The results demonstrated that the VRM unit consumes around 81% (9.75 kWh/t of raw materials), and 36% (5.8 kWh/t of raw materials) more energy to grind raw material than the IBAT unit and domestic best raw mill (DBRM), respectively.     

Liquid Metal Droplet and Graphene Co‐Fillers for Electrically Conductive Flexible Composites

Colloidal liquid metal alloys of gallium, with melting points below room temperature, are potential candidates for creating electrically conductive and flexible composites. However, inclusion of liquid metal micro‐ and nanodroplets into soft polymeric matrices requires a harsh auxiliary mechanical pressing to rupture the droplets to establish continuous pathways for high electrical conductivity. However, such a destructive strategy reduces the integrity of the composites. Here, this problem is solved by incorporating small loading of nonfunctionalized graphene flakes into the composites. The flakes introduce cavities that are filled with liquid metal after only relatively mild press‐rolling (<0.1 MPa) to form electrically conductive continuous pathways within the polymeric matrix, while maintaining the integrity and flexibility of the composites. The composites are characterized to show that even very low graphene loadings (≈0.6 wt%) can achieve high electrical conductivity. The electrical conductance remains nearly constant, with changes less than 0.5%, even under a relatively high applied pressure of >30 kPa. The composites are used for forming flexible electrically‐conductive tracks in electronic circuits with a self‐healing property. The demonstrated application of co‐fillers, together with liquid metal droplets, can be used for establishing electrically‐conductive printable‐composite tracks for future large‐area flexible electronics.     

A survey on applications of IEEE 802.21 Media Independent Handover framework in next generation wireless networks

Integration of various wireless access technologies is one of the major concerns in recent wireless systems in which multi-technology mobile devices are provided to users to roam between different access networks. Being an essential part in heterogeneous wireless systems, vertical handover is more complex than conventional horizontal handover. As IEEE 802.21 Media Independent Handover (MIH) is the standard addressing a uniform and media-independent framework for seamless handover between different access technologies, many works have been carried out in the literature to employ MIH services in handover management This paper presents a comprehensive survey of the proposed mobility management mechanisms that are using this framework. As a comparative view, the paper categorizes the efforts according to the layer of mobility management and evaluates some of the representative methods discussing about their advantages and disadvantages The paper also looks into recent handover decision and interface management methods that are exploiting MIH Moreover, the extensions and the amendments proposed on MIH are overviewed.     

Application of an anaerobic hybrid reactor for petrochemical effluent treatment

An anaerobic hybrid reactor (UASB/Filter) was used for petrochemical wastewater treatment in mesophilic conditions. The seeded flocculent sludge from a UASB plant treating dairy wastewater, acclimatized to the petrochemical wastes in a two-stage operation. After start up, under steady-state conditions, experiments were conducted at OLRs of between 0.5 and 24 kg TCOD m(-3) d(-1), hydraulic retention times (HRT) of 4-48 h and up-flow velocities 0.021-0.25 mh(-1). Removal efficiencies in the range of 42-86% were achieved at feed TCOD concentrations of 1,000-4,000 mg L(-1). The results of reactor performance at different operational conditions and its relations are presented and discussed in this paper. Then, the obtained data are used for determination of kinetic models. The results showed that a second-order model and a modified Stover-Kincannon model were the most appropriate models for this reactor. Finally, the biogas production data were used for the determination of biogas production kinetics.