Modeling the influence of bacteria concentration on the mechanical properties of self-healing concrete (SHC) for sustainable bio-concrete structures.

In this research paper, the intelligent learning abilities of the gray wolf optimization (GWO), multi-verse optimization (MVO), moth fly optimization, particle swarm optimization (PSO), and whale optimization algorithm (WOA) metaheuristic techniques and the response surface methodology (RSM) has been studied in the prediction of the mechanical properties of self-healing concrete. Bio-concrete technology stimulated by the concentration of bacteria has been utilized as a sustainable structural concrete for the future of the built environment. This is due to the recovery tendency of the concrete structures after noticeable structural failures. However, it requires a somewhat expensive exercise and technology to create the medium for the growth of the bacteria needed for this self-healing ability. The method of data gathering, analysis and intelligent prediction has been adopted to propose parametric relationships between the bacteria usage and the concrete performance in terms of strength and durability. This makes is cheaper to design self-healing concrete structures based on the optimized mathematical relationships and models proposed from this exercise. The performance of the models was tested by using the coefficient of determination (R2), root mean squared errors, mean absolute errors, mean squared errors, variance accounted for and the coefficient of error. At the end of the prediction protocol and model performance evaluation, it was found that the classified metaheuristic techniques outclassed the RSM due their ability to mimic human and animal genetics of mutation. Furthermore, it can be finally remarked that the GWO outclassed the other methods in predicting the concrete slump (Sl) with R2 of 0.998 and 0.989 for the train and test, respectively, the PSO outclassed the rest in predicting the flexural strength with R2 of 0.989 and 0.937 for train and test, respectively and the MVO outclassed the others in predicting the compressive strength with R2 of 0.998 and 0.958 for train and test, respectively.

Machine learning optimization of bio-sandcrete brick modelling using response surface methodology.

In this study, raw grinded groundnut shell (RGGNS) was used as a fine aggregate in the brick industry to reuse agricultural waste in building materials. In this study, an experimental approach was used to examine a new cement brick with raw groundnut shells integrated with compressive strength, water absorption and dry density optimization utilizing response surface methodology (RSM). The raw ground-nut shell content improved the fine aggregate performance of the 40%, 50%, and 60% samples. The 28-day high compressive strength with the raw ground-nut shell was 6.1 N/mm2 maximum, as needed by the technical standard. Samples made from 40%, 50%, and 60% raw groundnut shells yielded densities of 1.7, 2.2, and 1.9 kg/cm3 for groundnut shell (GNS) brick, respectively. A product's mechanical properties meet the IS code standard's minimum requirements. RSM was then utilized to develop a model for the addition of raw groundnut shell to concrete. R-square and Adeq precision values indicated that the results are highly significant, and equations for predicting compressive strength, water absorption, and dry density have been developed. In addition, optimization was performed on the RSM findings to determine the efficiency optimization of the model. Following the optimization results, experiments were conducted to determine the applicability of the optimized model.

Prediction of steel plate-based damper for improving the behavior of concentrically braced frames based on RSM and ML approaches for sustainable structures.

The stiffness (K) and slenderness factor (λ) of a steel plate-based damper has been studied on the basis of elastic-inelastic-plastic buckling (EIP) modes and flexural/shear/flexural-shear failure mechanisms (FSF-S), which has been designed for the improvement of the behavior of concentrically braced frames. Steel plate-based dampers offer significant benefits in terms of mode shapes and failure mechanisms, contributing to improved dynamic performance, enhanced structural resilience, and increased safety of civil engineering structures. Their effectiveness in mitigating dynamic loads makes them a valuable tool for engineers designing structures to withstand extreme environmental conditions and seismic events. This study was undertaken by using the learning abilities of the response surface methodology (RSM), artificial neural network (ANN) and the evolutionary polynomial regression (EPR). Steel plate dampers are special structural designs used to withstand the effect of special loading conditions especially seismic effects. Its design based on the prediction of its stiffness (K) and slenderness factor (λ) cannot be overlooked in the present-day artificial intelligence technology. In this research work, thirty-three entries based on the steel plate damper geometrical properties were recorded and deployed for the intelligent forecast of the fundamental properties (λ and K). Design ratios of the steel plate damper properties were considered and models behavior was recorded. From the outcome of the model, it can be observed that even though the EPR and ANN in that order outclassed the other techniques, the RSM produced model minimization and maximization features of the desirability levels, color factor scales and 3D surface observation, which shows the real model behaviors. Overall, the EPR with R2 of 0.999 and 1.000 for the λ and K, respectively showed to be the decisive model but the RSM has features that can be beneficial to the structural design of the studied steel plate damper for a more robust and sustainable construction. With these performances recorded in this exercise, the techniques have shown their potential to be applied in the prediction of steel damper stiffness with optimized characteristic features to withstand structural stresses.

Numerical modeling of the funnel multiphysical flow of fresh self-compacting concrete considering proportionate heterogeneity of aggregates.

Filling ability is one of the prominent rheological properties of the self-compacting concrete (SCC), which has been studied in this research work deploying the functional behavior of the concrete through the studied funnel apparatus using the coupled ANSYS-SPH interface. Seven (7) model cases were studied and optimized. The aim of this numerical study is to propose a more sustainable mix of coarse and fine aggregates proportion that allows for most minimum flow time to enhance a more efficient filling of forms during concreting. The maximum size of the coarse aggregates considered is 20 mm and that of the fine aggregates is below 4 mm. The Bingham model properties for the multiphysics (SPH)-ANSYS models' simulation are; viscosity = 20 ≤ µ ≤ 100 and the yield stress = 50 [Formula: see text], standard flow time, t (s) ranges; 6 ≤ t ≤ 25 and the funnel volume is 12 L. The minimum boundary flow time, which represents the time it takes for the SCC to completely flow through a specified distance, typically measured in seconds was modeled for in the seven (7) model cases. The second case with 40% coarse mixed with 60% fine completely flowed out in 16 s, thus fulfilling the minimum flow time. This minimum flow time was considered alongside other relevant parameters and tests, such as slump flow, passing ability, segregation resistance, and rheological properties (stresses), to comprehensively assess the filling ability of SCC in this model. By considering these factors and the optimized mix (40%C + 60%F:16s), engineers and researchers can optimize the SCC mix design to achieve the desired flowability and filling performance for their specific construction applications. The multiphase optimized mix was further simulated using the coupled interface of the ANSYS-SPH platform operating with the CFX command at air temperature of 25 °C. The results show energy reduction jump at the optimized flow time. Ideally, the mix, 40%C + 60%F:16s has been proposed as the mix with the most efficient flow to achieve the filling ability for sustainable structural concrete construction.

Lived experience of work and long COVID in healthcare staff.

BACKGROUND: Healthcare workers (HCWs) had a greater occupational risk of exposure to coronavirus disease 2019 (COVID-19) and reported higher rates of long COVID (LC). This has implications for the provision of health care in already stretched health services. AIMS: This study explored the impact of LC on a range of UK National Health Service (NHS) HCWs, their health and well-being, the effect on work patterns, and occupational support received. METHODS: Mixed-methods study, online survey and qualitative interviews. Participants self-reporting LC symptoms were recruited through social media and NHS channels. Interviews used maximum variation sampling of 50 HCWs including healthcare professionals, ancillary and administration staff. Thematic analysis was conducted using NVivo software. RESULTS: A total of 471 HCWs completed the online survey. Multiple LC symptoms were reported, revealing activity limitations for 90%. Two-thirds had taken sick leave, 18% were off-work and 33% reported changes in work duties. There were few differences in work practices by occupational group. Most participants were working but managing complex and dynamic symptoms, with periods of improvement and exacerbation. They engaged in a range of strategies: rest, pacing, planning and prioritizing, with work prioritized over other aspects of life. Symptom improvements were often linked to occupational medicine, managerial, colleague support and flexible workplace adjustments. CONCLUSIONS: LC has a significant impact on the lives of HCWs suffering prolonged symptoms. Due to the variability and dynamic nature of symptoms, workplace support and flexible policies are needed to help retain staff.

A critical review of rheological models in self-compacting concrete for sustainable structures.

Studying the rheological behavior of concrete, especially self-compacting concrete is vital in the design and structural integrity of concrete structures for design, construction, and structural material sustainability. Both analytical and numerical techniques have been applied in the previous research works to study precisely the behavior of the yield stress and plastic viscosity of the fresh self-compacting concrete with the associated flow properties and these results have not been systematically presented in a critical review, which will allow researchers, designers and filed operators the opportunity to be technically guided in their design and model techniques selection in order to achieve a more sustainable concrete model for sustainable concrete buildings. Also, the reported analytical and numerical techniques have played down on the effect of the shear strain rate behavior and as to reveal the viscosity changes of the Bingham material with respect to the strain rate. In this review paper, a critical study has been conducted to present the available methods from various research contributions and exposed the inability of these contributions to revealing the effect of the shear strain rate on the rheological behavior of the self-compacting concrete. With this, decisions related to the rheology and flow of the self-compacting concrete would have been made with apt and more exact considerations.

Recycling and sustainable applications of waste printed circuit board in concrete application and validation using response surface methodology.

The present investigation aims to examine the mechanical and durability properties of concrete that has been reinforced with a waste printed circuit board (WPCB) towards a low-carbon built environment. It assessed the fresh and hardened characteristics of the low-carbon concrete reinforced with WPCB fibres, after a curing period of 7 and 28 days. The evaluation was done by quantifying slump, compressive strength, split tensile strength, flexural strength, sorptivity, rapid, and acid tests. It further analysed eleven discrete concrete mixes with WPCB fibres at a weight percentage ranging from 1 to 5% in the cement mixture. The results indicate that incorporating WPCB fibre into concrete improves its mechanical strength. The results revealed that incorporating 5% WPCB fibre yielded the most favourable outcomes. The properties of WPCB fibre-reinforced concrete have been theoretically validated through Response Surface Methodology (RSM), which employs various statistical and mathematical tools to analyse the experimental data. The results derived from RSM were compared with the experimental results. It was found that the RSM model demonstrated a high level of accuracy (R2 ≥ 0.98) in validating the mechanical properties of WPCB fibre concrete. The statistical model exhibited no indication of prediction bias and demonstrated a statistically significant outcome, with a p-value below 0.5.

HIV incidence among non-migrating persons following a household migration event: a population-based, longitudinal study in Uganda.

Background: The impact of migration on HIV risk among non-migrating household members is poorly understood. We measured HIV incidence among non-migrants living in households with and without migrants in Uganda. Methods: We used four survey rounds of data collected from July 2011-May 2018 from non-migrant participants aged 15-49 years in the Rakai Community Cohort Study, an open, population-based cohort. Non-migrants were individuals with no evidence of migration between surveys or at the prior survey. The primary exposure, household migration, was assessed using census data and defined as ≥1 household member migrating in or out of the house from another community between surveys (∼18 months). Incident HIV cases tested positive following a negative result at the preceding visit. Incidence rate ratios (IRR) with 95% confidence intervals were estimated using Poisson regression with generalized estimating equations and robust standard errors. Analyses were stratified by gender, migration into or out of the household, and the relationship between non-migrants and migrants (i.e., any household migration, spouse, child). Findings: Overall, 11,318 non-migrants (5,674 women) were followed for 37,320 person-years. 28% (6,059/21,370) of non-migrant person-visits had recent migration into or out of the household, and 240 HIV incident cases were identified in non-migrating household members. Overall, non-migrants in migrant households were not at greater risk of acquiring HIV. However, HIV incidence among men was significantly higher when the spouse had recently migrated in (adjIRR:2·12;95%CI:1·05-4·27) or out (adjIRR:4·01;95%CI:2·16-7·44) compared to men with no spousal migration. Women with in- and out-migrant spouses also had higher HIV incidence, but results were not statistically significant. Interpretation: HIV incidence is higher among non-migrating persons with migrant spouses, especially men. Targeted HIV testing and prevention interventions such as pre-exposure prophylaxis could be considered for those with migrant spouses. Funding: National Institutes of Health, US Centers for Disease Control and Prevention. Research in context: We searched PubMed for studies focused on HIV acquisition, prevalence or sexual behaviors among non-migrants who lived with migrants in sub-Saharan Africa (SSA) using search terms such as "HIV", "Emigration and Immigration", "family", "spouses", "household", "parents", and "children". Despite high levels of migration and an established association with HIV risk in SSA, there is limited data on the broader societal impacts of migration on HIV acquisition risk among non-migrant populations directly impacted by it.There has been only one published study that has previously evaluated impact of migration on HIV incidence among non-migrating persons in sub-Saharan Africa. This study, which exclusively assessed spousal migration, was conducted in Tanzania more than two decades earlier prior to HIV treatment availability and found that non-migrant men with long-term mobile partners were more than four times as likely to acquire HIV compared to men who had partners that were residents. To the best of our knowledge, this is the first study to examine the effect of non-spousal migration, including any household migration and child migration, on HIV incidence among non-migrants. Added value of this study: In this study, we used data from the Rakai Community Cohort Study (RCCS), a population-based HIV surveillance cohort to measure the impact of migration on HIV incidence for non-migrant household members. The RCCS captures HIV incident events through regular, repeat HIV testing of participants and migration events through household censuses. Our study adds to the current literature by examining the general effect of migration in the household on HIV incidence in addition to child, and spousal migration. Using data from over 11,000 non-migrant individuals, we found that spousal, but not other types of household migration, substantially increased HIV risk among non-migrants, especially among men. Taken together, our results suggest that spousal migration may be associated with an increased risk of HIV acquisition in the period surrounding and immediately after spousal migration. Implications of all the available evidence: Our findings suggest that spousal migration in or out of the household is associated with greater HIV incidence. Targeted HIV testing and prevention interventions such as pre-exposure prophylaxis could be considered for men with migrant spouses.

Secondary-sphere preorganization enables nickel-catalyzed nitrile hydroboration.

Herein, we describe nickel-catalyzed nitrile hydroboration with pinacolborane, wherein a tethered NHC-pyridonate ligand enables efficient catalysis (5 mol% [Ni], ≤6 h reaction time) at room temperature. Mechanistic studies, including isolation of the catalytically relevant intermediates, shed light on the cooperative role of the ligand in activating both reagents simultaneously.

Distinguishing Competing Mechanistic Manifolds for C(acyl)-N Functionalization by a Ni/N-Heterocyclic Carbene Catalyst System.

Carboxylic acid derivatives are appealing alternatives to organohalides as cross-coupling electrophiles for fine chemical synthesis due to their prevalence in biomass and bioactive small molecules as well as their ease of preparation and handling. Within this family, carboxamides comprise a versatile electrophile class for nickel-catalyzed coupling with carbon and heteroatom nucleophiles. However, even state-of-the-art C(acyl)-N functionalization and cross-coupling reactions typically require high catalyst loadings and specific substitution patterns. These challenges have proven difficult to overcome, in large part due to limited experimental mechanistic insight. In this work, we describe a detailed mechanistic case study of acylative coupling reactions catalyzed by the commonly employed Ni/SIPr catalyst system (SIPr = 1,3-bis(2,6-di-isopropylphenyl)-4,5-dihydroimidazol-2-ylidine). Stoichiometric organometallic studies, in situ spectroscopic measurements, and crossover experiments demonstrate the accessibility of Ni(0), Ni(I), and Ni(II) resting states. Although in situ precatalyst activation limits reaction efficiency, the low concentrations of active, SIPr-supported Ni(0) select for electrophile-first (closed-shell) over competing nucleophile-first (open-shell) mechanistic manifolds. We anticipate that the experimental insights into the nature and controlling features of these distinct pathways will accelerate rational improvements to cross-coupling methodologies involving pervasive carboxamide substrate motifs.

Soft computing techniques for predicting the properties of raw rice husk concrete bricks using regression-based machine learning approaches.

In this study, the replacement of raw rice husk, fly ash, and hydrated lime for fine aggregate and cement was evaluated in making raw rice husk-concrete brick. This study optimizes compressive strength, water absorption, and dry density of concrete brick containing recycled aggregates via Response Surface Methodology. The optimized model's accuracy is validated through Artificial Neural Network and Multiple Linear Regression. The Artificial Neural Network model captured the 100 data's variability from RSM optimization as indicated by the high R threshold- (R > 0.9997), (R > 0.99993), (R > 0.99997). Multiple Linear Regression model captured the data's variability the decent R2 threshold confirming- (R2 > 0.9855), (R2 > 0.9768), (R2 > 0.9155). The raw rice husk-concrete brick 28-day compressive strength, water absorption, and density prediction were more accurate when using Response Surface Methodology and Artificial Neural Network compared to Multiple Linear Regression. Lower MAE and RMSE, coupled with higher R2 values, unequivocally indicate the model's superior performance. Additionally, employing sensitivity analysis, the influence of the six input parameters on outcomes was assessed. Machine learning aids efficient prediction of concrete's mechanical properties, conserving time, labor, and resources in civil engineering.

Smartphone Ocular Fundal Photography in the Diagnosis of Raised Intracranial Pressure: A Novel Adaptation to Neurosurgical Practice.

Background Consistently raised intracranial pressure (ICP) is a common final pathway to morbidity/mortality in many neurosurgical conditions. This underscores the need for early diagnosis and prompt management of raised ICP. This study aims to determine whether smartphone fundal photography features of raised ICP can accurately predict the computed tomography (CT) findings suggestive of elevated ICP in neurosurgery patients. Methods Dilated ocular fundal photography examinations using an ophthalmoscope adapter mounted on a smartphone were done on 82 patients with clinical suspicion of raised ICP. Fundal photography findings were recorded as pictures/videos for disc analysis. Patients subsequently had neuroimaging with results analyzed for radiological features of raised ICP. These were correlated with fundal photography findings. Results A total of 82 adult patients participated in this study. Chi-square analysis showed a relationship between radiological signs of raised ICP and the absence of spontaneous retinal venous pulsation (SRVP) (p=0.001). There was no relationship observed between papilledema and radiological signs of raised ICP. However, when the fundal photography signs were aggregated, there was a significant relationship between the fundal signs of raised ICP and radiological signs of raised ICP (p=0.004). The sensitivity and specificity of smartphone-fundoscopy-detected papilledema in predicting radiological signs of raised ICP were 43.2% and 100%, respectively, while those of absent SRVP were 100% and 92.6%, respectively. Conclusion Smartphone ophthalmoscopy is a reliable screening tool for evaluating ICP in neurosurgical patients. It should be introduced into the neurosurgeon's tools for prompt evaluation of raised ICP, especially in developing/resource-poor settings where CT or magnetic resonance imaging is not readily available.

Toward countering muscle and bone loss with spaceflight: GSK3 as a potential target.

We examined the effects of ∼30 days of spaceflight on glycogen synthase kinase 3 (GSK3) content and inhibitory serine phosphorylation in murine muscle and bone samples from four separate missions (BION-M1, rodent research [RR]1, RR9, and RR18). Spaceflight reduced GSK3ß content across all missions, whereas its serine phosphorylation was elevated with RR18 and BION-M1. The reduction in GSK3ß was linked to the reduction in type IIA fibers commonly observed with spaceflight as these fibers are particularly enriched with GSK3. We then tested the effects of inhibiting GSK3 before this fiber type shift, and we demonstrate that muscle-specific Gsk3 knockdown increased muscle mass, preserved muscle strength, and promoted the oxidative fiber type with Earth-based hindlimb unloading. In bone, GSK3 activation was enhanced after spaceflight; and strikingly, muscle-specific Gsk3 deletion increased bone mineral density in response to hindlimb unloading. Thus, future studies should test the effects of GSK3 inhibition during spaceflight.

Expression of L1 retrotransposons in granulocytes from patients with active systemic lupus erythematosus.

BACKGROUND: Patients with systemic lupus erythematosus (SLE) have autoantibodies against the L1-encoded open-reading frame 1 protein (ORF1p). Here, we report (i) which immune cells ORF1p emanates from, (ii) which L1 loci are transcriptionally active, (iii) whether the cells express L1-dependent interferon and interferon-stimulated genes, and (iv) the effect of inhibition of L1 ORF2p by reverse transcriptase inhibitors. RESULTS: L1 ORF1p was detected by flow cytometry primarily in SLE CD66b+CD15+ regular and low-density granulocytes, but much less in other immune cell lineages. The amount of ORF1p was higher in neutrophils from patients with SLE disease activity index (SLEDAI) > 6 (p = 0.011) compared to patients with inactive disease, SLEDAI < 4. Patient neutrophils transcribed seven to twelve human-specific L1 loci (L1Hs), but only 3 that are full-length and with an intact ORF1. Besides serving as a source of detectable ORF1p, the most abundant transcript encoded a truncated ORF2p reverse transcriptase predicted to remain cytosolic, while the two other encoded an intact full-length ORF2p. A number of genes encoding proteins that influence L1 transcription positively or negatively were altered in patients, particularly those with active disease, compared to healthy controls. Components of nucleic acid sensing and interferon induction were also altered. SLE neutrophils also expressed type I interferon-inducible genes and interferon ß, which were substantially reduced after treatment of the cells with drugs known to inhibit ORF2p reverse transcriptase activity. CONCLUSIONS: We identified L1Hs loci that are transcriptionally active in SLE neutrophils, and a reduction in the epigenetic silencing mechanisms that normally counteract L1 transcription. SLE neutrophils contained L1-encoded ORF1p protein, as well as activation of the type I interferon system, which was inhibited by treatment with reverse transcriptase inhibitors. Our findings will enable a deeper analysis of L1 dysregulation and its potential role in SLE pathogenesis.

Argonaute, Vault, and Ribosomal Proteins Targeted by Autoantibodies in Systemic Lupus Erythematosus.

OBJECTIVE: To expand, in an unbiased manner, our knowledge of autoantigens and autoantibodies in patients with systemic lupus erythematosus (SLE) and evaluate their associations with serological and clinical variables. METHODS: Human proteome arrays (> 21,000 proteins) were screened with serum from patients with SLE (n = 12) and healthy controls (n = 6) for IgG and IgA binding. Top hits were validated with 2 cohorts of patients with SLE (cohort 1, n = 49; cohort 2, n = 46) and other rheumatic diseases by ELISA. Clinical associations of the autoantibodies were tested. RESULTS: Ro60 was the top hit in the screen, and the 10 following proteins included 2 additional known SLE autoantigens plus 8 novel autoantigens involved in microRNA processing (Argonaute protein 1 [AGO1], AGO2, and AGO3), ribosomes (ribosomal protein lateral stalk subunit P2 and ovarian tumor deubiquitinase 5 [OTUD5]), RNA transport by the vault (major vault protein), and the immune proteasome (proteasome activator complex subunit 3). Patient serum contained IgG reactive with these proteins and IgA against the AGO proteins. Using the 95th percentile of healthy donor reactivity, 5-43% were positive for the novel antigens, with OTUD5 and AGO1 showing the highest percentages of positivity. Autoantibodies against AGO1 proteins were more prevalent in patients with oral ulcers in a statistically significant manner. IgG autoantibodies against AGO proteins were also seen in other rheumatic diseases. CONCLUSION: We discovered new autoantigens existing in cytosolic macromolecular protein assemblies containing RNA (except the proteasome) in cells. A more comprehensive list of autoantigens will allow for a better analysis of how proteins are targeted by the autoimmune response. Future research will also reveal whether specific autoantibodies have utility in the diagnosis or management of SLE.

Extensive overview of soil constitutive relations and applications for geotechnical engineering problems.

A state-of-the-art review has been conducted in this work on soil constitutive modeling, which has emphasized on: soil type, ground-water conditions, loading conditions, structural behavior, constitutive relation discipline, and dimensions. By extension also, the soil constitutive applications were reviewed on the bases of: single discipline dealing with soil mechanical properties constitutive modeling which included slope stability problems, bearing capacity, settlement of foundations, earth pressure problems, soil dynamics, soil structure interaction, thermal and hydrological conditions; bi-discipline (coupled problems) which solve problems related to thermomechanical (freeze/thaw conditions), smoothed particle hydrodynamics (SPH) and hydromechanical (consolidation, collapse and liquefaction) conditions in soils and rocks and multi-discipline constitutive models which solve complex problems related to thermo-hydromechanical (THM) conditions in soils and rocks. This work has shown that smoothed particle hydrodynamics (SPH) and hydromechanical (HM) models, which belong to bi-discipline or coupled conditions are better suited for geotechnical applications, generally, while thermo-hydromechanical (THM) models, which belong to multi-discipline are better suited to solving freeze/thaw and thermal piles problems and these are proven with high performance and flexibility.

Automated Variable Electric-Field DFT Application for Evaluation of Optimally Oriented Electric Fields on Chemical Reactivity.

Recent theoretical work and experiments at molecular junctions have provided a strong conceptualization for the effects of oriented electric fields (OEFs) on organic reactions. Depending on the axis of application, OEFs can increase (or decrease) the reaction rate or distinguish between isomeric pathways. Despite the conceptual elegance of OEFs, which may be applied externally or induced locally, as tools for catalyzing organic reactions, implementation in synthetically relevant systems has been hampered by inefficiencies in evaluating reaction sensitivity to field effects. Herein, we describe the development of the Automated Variable Electric-Field DFT Application (A.V.E.D.A.) for streamlined evaluation of a reaction's susceptibility to OEFs. This open-source software was designed to be accessible for nonexpert users of computational and programming tools. Following initiation by a single command (and with no subsequent intervention) the Linux workflow manages a series of density functional theory calculations and mathematical manipulations to optimize local-minimum and transition-state structures in oriented electric fields of increasing magnitude. The resulting molecular and reaction dipole moments, field-perturbed geometries, and net effective activation energies are compiled for user interpretation. Ten representative pericyclic reactions that showcase the development and evaluation of A.V.E.D.A. are described.

Augmented-reality telementoring for leg fasciotomy: a proof-of-concept study.

BACKGROUND: Prolonged field care is required when casualty evacuation to a surgical facility is delayed by distance, weather or tactical constraints. This situation can occur in both civilian and military environments. In these circumstances, there are no established treatment options for extremity compartment syndrome. Telementoring by a surgeon may enable the local clinician to perform a fasciotomy to decompress the affected compartments. METHODS: Six military clinicians were asked to perform a two-incision leg fasciotomy in synthetic models under the guidance of an orthopaedic surgeon located 380 km away. Communication occurred through commercially available software and smartglasses, which also allowed the surgeon to send augmented-reality graphics to the operators. Two blinded surgeons evaluated the specimens according to objective criteria. Control specimens were added to ensure the integrity of the evaluation process. RESULTS: The six study participants were military physician assistants who had extensive clinical experience but had never performed a fasciotomy. The average duration of the procedure was 53 min. All six procedures were completed without major errors: release of all four compartments was achieved through full-length incisions in the skin and fascia. The only surgical complication was a laceration of the saphenous vein. All three control specimens were correctly assessed by the evaluators. None of the participants experienced adverse effects from wearing the smartglasses. Four dropped calls occurred, but the connection was re-established in all cases. CONCLUSION: All six surgical procedures were completed successfully. We attribute the dropped calls to a mismatch between the size of the graphic files and the available bandwidth. A better technical understanding of the software by the mentoring surgeon would have avoided this problem. Important considerations for future research and practice include protocols for dropped communications, surgical skills training for the operators and communication training for the surgeons.

Behavior of strip footing rested on undrained clay using consistency limits-based constitutive law.

The behavior of undrained clay was extensively studied by many earlier researchers. A lot of constitutive models were developed to describe the behavior of undrained clay based on its mechanical properties. The aim of this research is to present an innovative constitutive model for undrained clay based on its consistency limits and water content. The main concept of this model is to estimate the mechanical properties of clay using earlier correlations with consistency limits, then implement the estimated mechanical properties in a hyperbolic model and calibrate the hyperbolic parameters to match the failure criteria of the undrained clay. To verify the validity of the developed constitutive model, it was applied on a standard problem which is a strip footing rested on undrained clay layer, the results confirmed the ability of the model to simulate the nonlinear behavior of undrained clay up to ultimate condition. The main advantage of this constitutive model is the ability to capture the reduction of mechanical properties of clay with the increase in its water content, which makes it ideal to study the impact of seepage on shallow foundation.

Sarco(endo)plasmic reticulum Ca2+-ATPase function is impaired in skeletal and cardiac muscles from young DBA/2J mdx mice.

The DBA/2J (D2) mdx mouse is a more severe model of Duchenne muscular dystrophy when compared to the traditional C57BL/10 (C57) mdx mouse. Here, we questioned whether sarco(endo)plasmic reticulum Ca2+-ATPase (SERCA) function would differ in muscles from young D2 and C57 mdx mice. Both D2 and C57 mdx mice exhibited signs of impaired Ca2+ uptake in the gastrocnemius, diaphragm, and left ventricle; however, the level of impairment was more severe in D2 mdx mice. Reductions in maximal SERCA activity were also more prominent in the D2 mdx gastrocnemius and diaphragm when compared to those from C57 mdx mice; however, there were no differences detected in the left ventricle. Across all muscles, D2 mdx mice had the highest levels of oxidative stress as indicated by protein nitrosylation and/or nitration. In conclusion, our study shows that SERCA function is more impaired in young D2 mdx mice compared with age-matched C57 mdx mice.