A Computational Study on the Configurational Behaviors of Dihalodiazenes and their Analogues Containing P and As Atoms

In this research, we report the results of DFT calculations using xc-hybrid functional, B3LYP and employ NBO interpretation to investigate the stereoelectronic effects. Electrostatic and steric impacts on the conformational properties of 1,2-difluorodiazene (1), 1,2-dichlorodiazene (2) and 1,2-dibromodiazene (3) are also studied. Factors determining the thermodynamically stable molecular structure of 1,2-dihalodiazenes and their analogues containing P and As atom are discussed, and the energetic effects of intra-molecular hyperconjugations and steric repulsion in each molecular system are theoretically estimated using NBO theory. The Energy components calculated help us to justify the conformational behaviour of our target compounds. One of the interesting features extracted from NBO analysis is that dissociation energies are controlled by the stabilization energies associated with electron delocalizations in these compounds. The main parameter considered in this study is the Gibbs free energy estimated for cis and trans configurations of compounds and for the cis-to-trans conversion through rotation and inversion mechanisms

Plasma and PBMC miRNA profile in sexually HIV-1 exposed seronegative individuals

Background: MicroRNAs (miRNAs) are small 20- to 24-nt non-coding RNAs involved in the post-transcriptional regulation of gene expression which play important defensive roles in several viral infections. Global expression profiles of cellular miRNAs have identified alterations of specific miRNAs post-HIV-1 infection both in vitro and in different patient cohorts suggesting potential roles for miRNA in pathogenesis and disease progression. We therefore decided to verify if natural resistance to HIV-1 infection observed in seronegative individuals repeatedly exposed to HIV-1 (HESN) through unprotected sexual intercourse could be secondary to a different expression of their miRNA profile. Methods: Expression levels of 25 miRNAs selected according to their proven anti-HIV-1 properties were analyzed in plasma, basal PBMC and in in vitro HIV-1 infected macrophages isolated from 30 HESN, 30 HIV seropositive subjects (HIV + ) and 30 healthy controls (HC).Results: In plasma the expression of mir-155, mir-382, mir-28 and mir-198 was significantly augmented in both HIV + and HESN compared to HC probably as a consequence of viral exposure. Conversely the expression of mir-223 and mir-150 in plasma was significantly increased only in HESN and this result was also confirmed in basal PBMC suggesting a protective effect for these miRNAs in resistance to HIV-1 infection. Furthermore, the expression of mir-150 was significantly increased in HESN macrophages following HIV-1 infection. Conclusions: mir-223 and mir-150 can target the 3\ua2UTR of HIV-1 transcripts, and they have already been identified as anti-HIV-1 miRNAs. The higher expression of these miRNA in HESN samples could therefore represent a key protection mechanism against HIV infection

Cellular preservation of musculoskeletal specializations in the Cretaceous bird Confuciusornis

The hindlimb of theropod dinosaurs changed appreciably in the lineage leading to extant birds, becoming more ‘crouched’ in association with changes to body shape and gait dynamics. This postural evolution included anatomical changes of the foot and ankle, altering the moment arms and control of the muscles that manipulated the tarsometatarsus and digits, but the timing of these changes is unknown. Here, we report cellular-level preservation of tendon- and cartilage-like tissues from the lower hindlimb of Early Cretaceous Confuciusornis. The digital flexor tendons passed through cartilages, cartilaginous cristae and ridges on the plantar side of the distal tibiotarsus and proximal tarsometatarsus, as in extant birds. In particular, fibrocartilaginous and cartilaginous structures on the plantar surface of the ankle joint of Confuciusornis may indicate a more crouched hindlimb posture. Recognition of these specialized soft tissues in Confuciusornis is enabled by our combination of imaging and chemical analyses applied to an exceptionally preserved fossil

Disaster relief operations: past, present and future

The aim of the preface is to introduce the scope of this special issue (SI). We explain our editorial approach and summarise our findings based on articles included in this SI. Finally, we outline future research questions which stemmed out of the discussions of this SI

Job satisfaction of registered nurses in Muscat, Sultanate of Oman

The purpose of this study is to determine the level of job satisfaction of Registered nurses in Muscat and relationships to Herzberg's motivation and hygiene factors. The theoretical underpinning of this study is based on Herzberg's concepts, in which an individual's motivation and hygiene factors are met within an organization, to the extent that the individual employee will express in job satisfaction. A descriptive, nonexperimental research design was used. The Work Quality Index and a demographic survey were given to 202 registered nurses at Sultan Qaboos University Hospital (SQUH) and Royal Hospital (RH) in Muscat. The data was collected over three weeks and was analyzed, using descriptive statistic, t-test, ANOVA for independent mean, and correlation statistics as appropriate. The results indicate that nurses in the two hospitals had a moderate level of job satisfaction. It also proves that motivation factors and hygiene factors are significantly correlated with job satisfaction, meaning that the fulfillment of both types of factors determines the overall job satisfaction of the nurses

Spreadsheet-based modeling of liner wear impact on charge motion in tumbling mills

Grinding remains the major constituent of the total cost of processing minerals in most applications. Charge motion is one of the key parameters affecting grinding efficiency and mill power draw. Although there have been numerous investigations on the effect of liner design on charge motion, the effect of charge profile due to liner wear during mill operation along the mill length has not received much attention. In this research, Powell’s analytical approach to calculate the charge trajectory with respect to the liner profile was used to develop a software based on Microsoft Excel© . As a case study, the liner wear profile of the Sarcheshmeh copper complex SAG mill was used to model the liner wear rate and calculate the changes of lifter face angle and lifter height during mill operation. Results were then used to determine charge motion in the SAG mill at any given operation time. The results indicated that after 4000 h of operation the lifters face angle increased from 14° to 47.1° and the height of lifters decreased from 15.2 to 5.8 cm. Modeling charge motion in the mill after 3000 h of operation showed 34° difference between the maximum and minimum of angles of impact along the mill length due to the nonuniform wear profile. It was also found that the variation in the pattern of the charge motion depends on the mill working hours and the distance of the desired point from the feed end. It was determined that the ratio of spacing to the height of lifters (S/H) plays an important role in the grinding efficiency and throughput. After 4000 h of operation, S/H ratio of the Sarcheshmeh SAG mill increased from 1.7 to 4.6

Feed dilution-based design of a thickener for refuse slurry of a coal preparation plant

Thickening is the most widely applied dewatering technique in mineral processing. Thickeners are used to increase the concentration of suspensions by sedimentation, accompanied by the release of a clear liquid. As the particles get finer the thickening process encounters difficulty due to a significant change in the particles settling behavior. The batch settling tests of coal refuse of a coal washing plant that contained 91% particles smaller than 38 µm and 0.6% coarser than 75 µm showed that the optimum feed percent solids that provided highest flux (solids handling capacity) was 4%. The flux of the pulp with the plant solids concentration (i.e., 10% by weight) was 60% lower than that of the pulp with 4% solids. A thickener with a diameter of 22 m based on the dilution of feed from solids concentration of 10% to 4% was designed. Monitoring of the thickener performance for a period of one month in the plant indicated that an average feed rate of 25t/h (dry solids) with solids concentration of 10% could be thickened to an underflow concentration of 26.5% with a clear water overflow. It was found that the key component of the successful operation of the thickener is the dilution of the feed, without dilution the overflow loses its clarity and the system ceases to operate under predetermined conditions. Based on the results of established CFD (Computational Fluid Dynamics) studies, a feeding system that efficiently dissipated the energy of the incoming flow and a staged flocculant addition regime were utilized in the design and operation of the thickener