Atomic-scale simulation of physical and chemical processes during space weathering and planet formation

We investigate the mechanisms of space weathering and dust grain collisions, two topics of interests from planetary sciences, using atomic-scale simulations. Space weathering is the change in chemical and physical properties of minerals exposed to solar radiation and micrometeorite bombardment on surfaces of airless planetary bodies like the Moon and asteroids. An understanding of the connection between the surface evolution of the minerals and the underlying thermodynamic and kinetic factors is still missing. We address this issue and determine the time evolution of Frenkel defects in the silicate minerals olivine ((Mg,Fe)$_2$SiO$_4$) and orthopyroxene ((Mg,Fe)SiO$_3$) using molecular dynamics with a pair potential. Defect diffusion and clustering are observed in both the minerals. Cation diffusion occurs more readily in olivine than in orthopyroxene and leads to faster annealing in the former. In orthopyroxene, diffusion of anion defects, especially oxygen interstitials, occurs more rapidly and also exhibits anisotropy, which hinders the annealing process. This difference in defect evolution may explain the experimental observation that surface modifications due to irradiation is more pronounced in orthopyroxene than in olivine. Dust grain collision is the dominant process in the initial stage of planet formation, however, the mechanisms by which dust grains grow to larger aggregates and eventually to kilometer sized planetesimal is still not understood. We explore the role of surface chemistry in energy dissipation and grain adhesion during collision of amorphous silica (SiO$_2$) nanograins using molecular dynamics with a reactive potential, namely ReaxFF. We found nonhydroxylated amorphous silica nanoparticles stick with higher probability than their hydroxylated counterpart. This difference is attributed to the preponderance of unsatisfied dangling bonds on the dry silicate surface which facilitate bond formation during collision, and thereby provide a mechanism for energy dissipation. The speed below which sticking occurs in the dry nanograins is much higher than that found in Earth-based experiments, which suggests any experimental study of dust grain collision should take into account of the chemical environment. We probe into the nanograin collisions further and carry out atomistic simulatons of collisions of molten silica nanograins. We observed in the molten state, amorphous silica is more sticky than it is in the solid phase. This happens due to increased viscoelastic energy dissipation. The result may explain how rocky planets originated from the inner rings of the protoplanetay disks where temperatures were as high as $\sim$ 2000 K. In order to increase the range of materials that could be simulated with ReaxFF potential, and also to examine the different oxidation states of iron associated with nanophase iron formation during space weathering, we made attempt to develop ReaxFF potential for fayalite (Fe$_2$SiO$_4$). We found out fundamental limitations of ReaxFF model to describe three-component minerals. However, during the fitting process we developed a model for iron silicide (FeSi), and made attempt to improve the silica model to obtain better elastic properties. We report here the fitting processes and the observed limitations of ReaxFF model

Long term outcome, aetiological factors and predictors of mortality in chronic thromboembolic pulmonary hypertension

Chronic thromboembolic pulmonary hypertension occurs when blood clots in the lungs do not resolve. This causes the pressure in the lungs to rise and without treatment it is a serious condition which reduces life expectancy. It occurs in approximately 1 in 20 patients who have had a lung clot (also known as a pulmonary embolism). The condition can be potentially cured by an operation called pulmonary endarterectomy where the chronic lung clots are removed. However, not all patients are suitable for the operation and some patients who are suitable for the operation decline surgery. This study identifies a number of tests that can be used to identify patients at highest risk of dying and shows that surgery provides very good long term results which are superior to those who decline surgery. The results of this study will help doctors and patients with CTEPH when discussing treatment options. The authors conclude that more work is required to ensure that patients are counselled and supported to make informed decisions

Physico-chemical factors of solar salt farms water in the coastal area of Cox’s Bazar, Bangladesh

Physico-chemical factors of water at different gradient of the salt production pans (reservoir, condenser and crystallizer) of the coastal area in Cox’s Bazar were studied.Analyses of water temperature at different gradient of salt pans show almost similar values (31°C-32°C). The pH values varied from 4.9 to 7.4. The acidic pH values were recorded in Chakaria Sundarban area. Salinity ranged from 30.03‰ to 330.52‰, lowest salinity was found in reservoir pan and highest in crystallizer pan. Electric conductivity values fluctuated between 9.60 and 336.00 mmhos/cm and its values gradually increase from reservoir to crystallizer pans. Total hardness, Ca, Mg and HCO3 varied from 8000 to 213600 mg/l; 2987 to 106300 mg/l, 5013 to 107300 mg/l and 36.6 to 146.4 mg/l respectively and their values were always found to be Reservoir < Condenser< Crystallizer. Alkalinity ranged from 50-570 ppm, the lowest values were recorded in reservoir pan and highest were found in crystallizer. Usually higher concentration of K was obtained in crystallizer pan and the highest value (15.2g/l) was recorded at Moheskhali sampling area

Current and emerging imaging techniques in the diagnosis and assessment of pulmonary hypertension

Introduction: Pulmonary hypertension (PH) is a challenging condition to diagnose and treat. Over the last two decades, there have been significant advances in therapeutic approaches and imaging technologies. Current guidelines emphasize the importance of cardiac catheterization; however, the increasing availability of non-invasive imaging has the potential to improve diagnostic rates, whilst providing additional information on patient phenotypes. Areas covered: This review discusses the role of imaging in the diagnosis, prognostic assessment and follow-up of patients with PH. Imaging methods, ranging from established investigations (chest radiography, echocardiography, nuclear medicine and computerized tomography (CT)), to emerging modalities (dual energy CT, magnetic resonance imaging (MRI), optical coherence tomography and positron emission tomography (PET)) are reviewed. The value and limitations of the clinical utility of these imaging modalities and their potential clinical application are reviewed. Expert commentary: Imaging plays a key role in the diagnosis and classification of pulmonary hypertension. It also provides valuable prognostic information and emerging evidence supports a role for serial assessments. The authors anticipate an increasing role for imaging in the pulmonary hypertension clinic. This will reduce the need for invasive investigations, whilst providing valuable insights that will improve our understanding of disease facilitate a more targeted approach to treatment

IodiNe Subtraction mapping in the diagnosis of Pulmonary chronIc thRomboEmbolic disease (INSPIRE) : rationale and methodology of a cross-sectional observational diagnostic study

Chronic thromboembolic pulmonary hypertension (CTEPH) is a severe but treatable disease that is commonly underdiagnosed. Computed tomography lung subtraction iodine mapping (CT-LSIM) in addition to standard CT pulmonary angiography (CTPA) may improve the evaluation of suspected chronic pulmonary embolism and improve the diagnostic pick up rate. We aim to recruit 100 patients suspected of having CTEPH and perform CT-LSIM scans in addition to the current gold standard test of nuclear medicine test (lung single photon emission computed tomography (SPECT) imaging) as a pilot study which will contribute to and inform the definitive trial. The diagnostic accuracy of CT-LSIM and lung SPECT will be compared. The primary outcome of the full definitive study is non-inferiority of CT-LSIM versus lung SPECT imaging

Extraction of Dye from Natural Source (LAC) & its Application on Leather

The aspect of dyeing leather without hampering the environment and human health is burning issue since the last century. This study was an endeavor to introduce a convenient natural dye from the insect of Cocus Lacca for dyeing leather in an eco-friendly way. The effect of process parameters of dyeing viz. pH, temperature, time duration, exhaustion of color, shade brightness, color fastness etc. had been studied. Result showed that the optimum extraction was 4% at 90°C. The pH of the developed dye was 6.5 and optimum time of dye exhaustion was 80 minutes. The extracted dye was applied on split leather with and without mordant. It was found that mordant has a significant effect on the color of leather. Ferrous Sulfate (FeSO4) mordant showed more excellence. Future research on the same field using different extraction methods, different mordants, and mordanting methods will optimize the results of the current study.

Pathways for outpatient management of venous thromboembolism in a UK centre.

It has become widely recognised that outpatient treatment may be suitable for many patients with venous thromboembolism. In addition, non-vitamin K antagonist oral anticoagulants that have been approved over the last few years have the potential to be an integral component of the outpatient care pathway, owing to their oral route of administration, lack of requirement for routine anticoagulation monitoring and simple dosing regimens. A robust pathway for outpatient care is also vital; one such pathway has been developed at Sheffield Teaching Hospitals in the UK. This paper describes the pathway and the arguments in its favour as an example of best practice and value offered to patients with venous thromboembolism. The pathway has two branches (one for deep vein thrombosis and one for pulmonary embolism), each with the same five-step process for outpatient treatment. Both begin from the point that the patient presents (in the Emergency Department, Thrombosis Clinic or general practitioner's office), followed by diagnosis, risk stratification, treatment choice and, finally, follow-up. The advantages of these pathways are that they offer clear, evidence-based guidance for the identification, diagnosis and treatment of patients who can safely be treated in the outpatient setting, and provide a detailed, stepwise process that can be easily adapted to suit the needs of other institutions. The approach is likely to result in both healthcare and economic benefits, including increased patient satisfaction and shorter hospital stays

CMR measures of left atrial volume index and right ventricular function have prognostic value in chronic thromboembolic pulmonary hypertension

Providing prognostic information is important when counseling patients and planning treatment strategies in chronic thromboembolic pulmonary hypertension (CTEPH). The aim of this study was to assess the prognostic value of gold standard imaging of cardiac structure and function using cardiac magnetic resonance imaging (CMR) in CTEPH. Consecutive treatment-naive patients with CTEPH who underwent right heart catheterization and CMR between 2011 and 2017 were identified from the ASPIRE (Assessing-the-Specturm-of-Pulmonary-hypertensIon-at-a-REferral-center) registry. CMR metrics were corrected for age and sex where appropriate. Univariate and multivariate regression models were generated to assess the prognostic ability of CMR metrics in CTEPH. Three hundred and seventy-five patients (mean+/-standard deviation: age 64+/-14 years, 49% female) were identified and 181 (48%) had pulmonary endarterectomy (PEA). For all patients with CTEPH, left-ventricular-stroke-volume-index-%predicted (LVSVI%predicted) (p = 0.040), left-atrial-volume-index (LAVI) (p = 0.030), the presence of comorbidities, incremental shuttle walking test distance (ISWD), mixed venous oxygen saturation and undergoing PEA were independent predictors of mortality at multivariate analysis. In patients undergoing PEA, LAVI (p < 0.010), ISWD and comorbidities and in patients not undergoing surgery, right-ventricular-ejection-fraction-%predicted (RVEF%pred) (p = 0.040), age and ISWD were independent predictors of mortality. CMR metrics reflecting cardiac function and left heart disease have prognostic value in CTEPH. In those undergoing PEA, LAVI predicts outcome whereas in patients not undergoing PEA RVEF%pred predicts outcome. This study highlights the prognostic value of imaging cardiac structure and function in CTEPH and the importance of considering left heart disease in patients considered for PEA

The impact of patient choice on survival in chronic thromboembolic pulmonary hypertension

Pulmonary endarterectomy (PEA) is the gold standard treatment for operable chronic thromboembolic pulmonary hypertension (CTEPH). However, a proportion of patients with operable disease decline surgery. There are currently no published data on this patient group. The aim of this study was to identify outcomes and prognostic factors in a large cohort of consecutive patients with CTEPH. Data were collected for consecutive, treatment-naive CTEPH patients at the Pulmonary Vascular Disease Unit of the Royal Hallamshire Hospital (Sheffield, UK) between 2001 and 2014. Of 550 CTEPH patients (mean±sd age 63±15 years, follow-up 4±3 years), 49% underwent surgery, 32% had technically operable disease and did not undergo surgery (including patient choice n=72 and unfit for surgery n=63), and 19% had inoperable disease due to disease distribution. The 5-year survival was superior in patients undergoing PEA (83%) versus technically operable disease who did not undergo surgery (53%) and inoperable due to disease distribution (59%) (p<0.001). Survival was superior in patients following PEA compared with those offered but declining surgery (55%) (p<0.001). In patients offered PEA, independent prognostic factors included mixed venous oxygen saturation, gas transfer and patient decision to proceed to surgery. Outcomes in CTEPH following PEA are excellent and superior to patients declining surgery, and strongly favour consideration of a surgical intervention in eligible patients

High power high efficiency electron-hole and unipolar quantum dot lasers

The goal of this research work is to develop and analyze Quantum Dot (QD) lasers aimed at improving high power performance which is crucial for numerous scientific, military and industrial applications. Fundamentally two dissimilar types of lasers are investigated: namely bipolar electron-hole laser and unipolar quantum cascade laser. Planar quantum well (QW) laser diodes are already well-established as commercially available high power semiconductor lasers. However these lasers are unable to deliver power greater few 10's of watts due to reduction in efficiency at longer cavity lengths. This limitation arises from inherent optical losses tied to the two-dimensional density of available states in QWs. A novel approach is proposed here to circumvent this limitation by introducing self-assembled QDs into the laser cavity which due to their delta-like discrete density of states promise to reduce the optical losses by at least an order of magnitude, hence allowing cavity length to increase proportionally. Detailed analysis based on harmonic oscillator model and solution at quasi-equilibrium condition reveal that total internal losses as low as 0.05 per cm⁻¹ can be achieved in a QD laser enabling it to deliver 50 watts of power from each bar while maintaining efficiency close to 90%. In order to take full advantage of the discrete atom-like behavior, it is also of utmost importance to reduce the inhomogeneous broadening of the dot distribution originating from size fluctuation. Experimental data of ultra narrow linewidth InAs quantum dots having linewidth of only 22 meV is presented. Research attempt has been taken to integrate these narrowly distributed dots into a workable structure. Preliminary data shows that these dots are extremely sensitive to the laser material which calls for careful optimization of the entire structure. As for the unipolar QCL, it is shown that internal absorption caused by phonon emission of electrons in a planar quantum cascade laser represents a possible limitation to the maximum operating efficiency. Possibility of reducing this absorption is explored and it is optimistically asserted that introducing QDs into the gain stage of a QCL can eliminate this internal loss mechanism, thus greatly improving high power operating characteristics.Electrical and Computer Engineerin