Structures, Energies, and Bonding Analysis of Monoaurated Complexes with N-Heterocyclic Carbene and Analogues

In this work, we computationally investigated from quantum chemical calculations (DFT) at the BP86 level with the various basis sets def2-SVP, def2-TZVPP, and TZ2P+, chemical bonding issues of the recently described carbene-analogues gold(I) complexes AuCl-NHEMe (Au1-NHE) with E = C – Pb. The optimized structures and the metal-ligand bond dissociation energy (BDE) were calculated, and the nature of the E→Au bond was studied with charge and energy decomposition methods. The equilibrium structures of the system showed that there were major differences in the bonded orientation from the ligands NHC-NHPb to gold(I) complex between the lighter and the heavier homologues. The BDEs results showed that the metal-carbene analogues bonds were very strong bonds and the strongest bond was calculated for Au1-NHC which had the bond strength De = 79.2 kcal/mol. Bonding analysis of Au1-NHE showed that NHE ligands exhibited donor-acceptor bonds with the σ lone pair electrons of NHE donated into the vacant orbital of the acceptor fragment (AuCl). The EDA-NOCV results indicated that the ligand NHE in Au1-NHE complexes were strong σ-donors and very weak π donor and the bond order in complexes was Au1-NHC > Au1-NHSi > Au1-NHGe > Au1-NHSn > Au1-NHPb. We also realised that the gold-ligand bond was characterized by a π back-donation component from the Au to the ligand. All investigated complexes in this study were suitable targets for synthesis and gave a challenge in designing Au nano-crystals of narrow size distribution from gold(I) complexes that carried versatile N-heterocyclic carbene-analogues NHE

Pneumonia: Drug-Related Problems and Hospital Readmissions

Pneumonia is one of the most common infectious diseases and the fourth leading cause of death globally. According to US statistics in 2019, pneumonia is the most common cause of sepsis and septic shock. In the US, inpatient pneumonia hospitalizations account for the top 10 highest medical costs, totaling $9.5 billion for 960,000 hospital stays. The emergence of antibiotic resistance in the treatment of infectious diseases, including the treatment of pneumonia, is a globally alarming problem. Antibiotic resistance increases the risk of death and re-hospitalization, prolongs hospital stays, and increases treatment costs, and is one of the greatest threats in modern medicine. Drug-related problems (DRPs) in pneumonia - such as suboptimal antibiotic indications, prolonged treatment duration, and drug interactions - increase the rate of antibiotic resistance and adverse effects, thereby leading to an increased burden in treatment. In a context in which novel and effective antibiotics are scarce, mitigating DRPs in order to reduce antibiotic resistance is currently a prime concern. A variety of interventions proven useful in reducing DRPs are antibiotic stewardship programs, the use of biomarkers, computerized physician order entries and clinical decision support systems, and community-acquired pneumonia scores

Hepatitis E virus seroprevalence in indigenous residents of the Hà Giang northern province of Vietnam

Vietnam is an endemic territory of the South-East Asia in terms of the prevalence of hepatitis E virus. However, the data on the prevalence of HEV infection among the indigenous population of Vietnam are limited, whereas the data on various minor ethnic groups are not available. Рopulation of the Northern province Hà Giang is characterized by ethnic diversity and consists of about 22 ethnic groups that have preserved their ethnic identity determining the features of their lifestyle and farming. The goal of the current study was to conduct a cross-sectional examination to assess prevalence of serological markers of HEV infection in the indigenous population of the Northern province of Vietnam, Hà Giang. Materials and methods. A total of 1127 healthy indigenous residents aged 18 to 83 years (average age 42.8±1.5) who lived in three regions (Yên Minh, Bắc Mê and Đông Văn) of Hà Giang province in 2019 were enrolled in the study. The presence of HEV-specific IgG antibodies (anti-HEV IgG) was determined by the ELISA using kits “DS-IFA-ANTI-HEV-G” (LLC NPO “Diagnostic Systems”, Russia). Results. The prevalence of anti-HEV IgG antibodies in the indigenous population in the Hà Giang province was 74.4% (838/1127; 95% CI 71.7–76.8), with the peak occurrence of anti-HEV IgG (87.6%) found in Đông Văn region, which was significantly higher compared to those in the Bắc Mê (χ2 = 16.37, p = 0.000052) and Yên Minh (χ2 = 214.64, p < 0.00001) regions. The Yên Minh Region was characterized by the lowest percentage of subjects involved in the epidemic process (χ2 = 77.55, p < 0.00001). No significant gender-related differences were detected in antiHEV IgG level both in general and in individual regions. The peak frequency of anti-HEV IgG (85.9%) was found in the H’mong ethnic group, which was significantly higher than in the Tay ethnic groups (χ2 = 77.32, p < 0.00001) and in the remaining minor ethnic groups (χ2 = 63.44, p < 0.00001). Conclusion. The results of this study indicate a high seroprevalence of hepatitis E virus in the minor ethnic groups, which preserve the national lifestyle in the Hà Giang province of the Northern Vietnam. As the Hà Giang province is located in remote mountain areas, a number of which are still difficult to access, its low economic status, poor sanitary and hygienic living conditions, lack of high-quality water supply, multinational population following different lifestyles, the contact of population with natural potential sources of HEV infection, including various wild and domestic animals, contribute to the successful spread of the hepatitis E virus in the region and the involvement of all populational age groups in the epidemic process. Taking into account the rapid development of the tourism industry in the Hà Giang Province particularly in the Đông Văn Region, where the Đông Văn Karst Plateau Geopark being recognized by UNESCO as national treasure is located, the results of this study emphasize a need to plan and perform the events aimed for preventing and monitoring HEV infection in endemic regions in Vietnam in order to reduce a risk of spread of hepatitis E virus not only inside, but also outside the country

Tracking development assistance for health and for COVID-19 : a review of development assistance, government, out-of-pocket, and other private spending on health for 204 countries and territories, 1990-2050

Background The rapid spread of COVID-19 renewed the focus on how health systems across the globe are financed, especially during public health emergencies. Development assistance is an important source of health financing in many low-income countries, yet little is known about how much of this funding was disbursed for COVID-19. We aimed to put development assistance for health for COVID-19 in the context of broader trends in global health financing, and to estimate total health spending from 1995 to 2050 and development assistance for COVID-19 in 2020. Methods We estimated domestic health spending and development assistance for health to generate total health-sector spending estimates for 204 countries and territories. We leveraged data from the WHO Global Health Expenditure Database to produce estimates of domestic health spending. To generate estimates for development assistance for health, we relied on project-level disbursement data from the major international development agencies' online databases and annual financial statements and reports for information on income sources. To adjust our estimates for 2020 to include disbursements related to COVID-19, we extracted project data on commitments and disbursements from a broader set of databases (because not all of the data sources used to estimate the historical series extend to 2020), including the UN Office of Humanitarian Assistance Financial Tracking Service and the International Aid Transparency Initiative. We reported all the historic and future spending estimates in inflation-adjusted 2020 US$, 2020 US$ per capita, purchasing-power parity-adjusted US$per capita, and as a proportion of gross domestic product. We used various models to generate future health spending to 2050. Findings In 2019, health spending globally reached$8. 8 trillion (95% uncertainty interval [UI] 8.7-8.8) or $1132 (1119-1143) per person. Spending on health varied within and across income groups and geographical regions. Of this total,$40.4 billion (0.5%, 95% UI 0.5-0.5) was development assistance for health provided to low-income and middle-income countries, which made up 24.6% (UI 24.0-25.1) of total spending in low-income countries. We estimate that $54.8 billion in development assistance for health was disbursed in 2020. Of this,$13.7 billion was targeted toward the COVID-19 health response. $12.3 billion was newly committed and$1.4 billion was repurposed from existing health projects. $3.1 billion (22.4$2.4 billion (17.9%) was for supply chain and logistics. Only $714.4 million (7.7$1519 (1448-1591) per person in 2050, although spending across countries is expected to remain varied. Interpretation Global health spending is expected to continue to grow, but remain unequally distributed between countries. We estimate that development organisations substantially increased the amount of development assistance for health provided in 2020. Continued efforts are needed to raise sufficient resources to mitigate the pandemic for the most vulnerable, and to help curtail the pandemic for all. Copyright (C) 2021 The Author(s). Published by Elsevier Ltd.Peer reviewe

The global burden of cancer attributable to risk factors, 2010–19: a systematic analysis for the Global Burden of Disease Study 2019

BACKGROUND: Understanding the magnitude of cancer burden attributable to potentially modifiable risk factors is crucial for development of effective prevention and mitigation strategies. We analysed results from the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2019 to inform cancer control planning efforts globally. METHODS: The GBD 2019 comparative risk assessment framework was used to estimate cancer burden attributable to behavioural, environmental and occupational, and metabolic risk factors. A total of 82 risk–outcome pairs were included on the basis of the World Cancer Research Fund criteria. Estimated cancer deaths and disability-adjusted life-years (DALYs) in 2019 and change in these measures between 2010 and 2019 are presented. FINDINGS: Globally, in 2019, the risk factors included in this analysis accounted for 4·45 million (95% uncertainty interval 4·01–4·94) deaths and 105 million (95·0–116) DALYs for both sexes combined, representing 44·4% (41·3–48·4) of all cancer deaths and 42·0% (39·1–45·6) of all DALYs. There were 2·88 million (2·60–3·18) risk-attributable cancer deaths in males (50·6% [47·8–54·1] of all male cancer deaths) and 1·58 million (1·36–1·84) risk-attributable cancer deaths in females (36·3% [32·5–41·3] of all female cancer deaths). The leading risk factors at the most detailed level globally for risk-attributable cancer deaths and DALYs in 2019 for both sexes combined were smoking, followed by alcohol use and high BMI. Risk-attributable cancer burden varied by world region and Socio-demographic Index (SDI), with smoking, unsafe sex, and alcohol use being the three leading risk factors for risk-attributable cancer DALYs in low SDI locations in 2019, whereas DALYs in high SDI locations mirrored the top three global risk factor rankings. From 2010 to 2019, global risk-attributable cancer deaths increased by 20·4% (12·6–28·4) and DALYs by 16·8% (8·8–25·0), with the greatest percentage increase in metabolic risks (34·7% [27·9–42·8] and 33·3% [25·8–42·0]). INTERPRETATION: The leading risk factors contributing to global cancer burden in 2019 were behavioural, whereas metabolic risk factors saw the largest increases between 2010 and 2019. Reducing exposure to these modifiable risk factors would decrease cancer mortality and DALY rates worldwide, and policies should be tailored appropriately to local cancer risk factor burden

Distributed intelligence : unleashing flexibilities for congestion management in smart distribution networks

Electrical distribution networks worldwide are facing frequent capacity challenges due to the widespread roll out of various distributed energy resources (DERs). A number of demand response (DR) mechanisms have been developed in order to circumvent the problems and enhance the flexibility of the distribution network. While the existing centralized control system remains its crucial role for reliable and secure grid operation, distributed intelligence is a complement technology with a focus on dividing the control task into a number of simpler problems and solve them with minimum exchange of information. Based on the recent developments of distributed intelligence, this paper discusses a decentralized approach to enable demand response for managing the congestions more efficiently. The approach is validated with simulations for representative Dutch low-voltage (LV) networks

Different smart grid frameworks in context of smart neighborhood: A review

Energy flexibility is becoming more significant part of future power systems. Buildings can be a massive source of flexibility to face the challenges associated with the Smart Grid. Specially, a collection of buildings or a neighborhood can offer better flexibility by managing their energy profile. There are a number of standard frameworks developed to provide support for the design of different smart grid use cases and to facilitate the interoperations among different actors in the smart grid context. But there is a lack of a comprehensive architecture framework which specifies the role of smart neighborhood. This paper reviews the existing research frameworks of Smart Grids and how to incorporate future intelligent neighborhood energy management systems into these frameworks. The analysis identifies gaps in the existing frameworks and proposes a modular interoperability framework focusing on the smart neighborhood aspect

Structures, Energies, and Bonding Analysis of Monoaurated Complexes with N-Heterocyclic Carbene and Analogues

In this work, we computationally investigated from quantum chemical calculations (DFT) at the BP86 level with the various basis sets def2-SVP, def2-TZVPP, and TZ2P+, chemical bonding issues of the recently described carbene-analogues gold(I) complexes AuCl-NHEMe (Au1-NHE) with E = C – Pb. The optimized structures and the metal-ligand bond dissociation energy (BDE) were calculated, and the nature of the E→Au bond was studied with charge and energy decomposition methods. The equilibrium structures of the system showed that there were major differences in the bonded orientation from the ligands NHC-NHPb to gold(I) complex between the lighter and the heavier homologues. The BDEs results showed that the metal-carbene analogues bonds were very strong bonds and the strongest bond was calculated for Au1-NHC which had the bond strength De = 79.2 kcal/mol. Bonding analysis of Au1-NHE showed that NHE ligands exhibited donor-acceptor bonds with the σ lone pair electrons of NHE donated into the vacant orbital of the acceptor fragment (AuCl). The EDA-NOCV results indicated that the ligand NHE in Au1-NHE complexes were strong σ-donors and very weak π donor and the bond order in complexes was Au1-NHC > Au1-NHSi > Au1-NHGe > Au1-NHSn > Au1-NHPb. We also realised that the gold-ligand bond was characterized by a π back-donation component from the Au to the ligand. All investigated complexes in this study were suitable targets for synthesis and gave a challenge in designing Au nano-crystals of narrow size distribution from gold(I) complexes that carried versatile N-heterocyclic carbene-analogues NHE

Smart real-time multi-node congestion management in active distribution networks

Widespread roll-out of different types of distributed energy resources (DERs) has been introducing capacity challenges in the electrical power distribution networks. Different types of demand response (DR) mechanisms have been developed in order to tackle such problems and defer expensive and unexpected network reinforcement. While the existing centralized mechanisms ensure reliable and secure grid operations, distributed intelligence has also been growing in popularity due to its ability of solving complex problems with minimum exchange of information. This paper discusses a decentralized approach to enable demand response methodologies for managing congestions involving multiple actors more efficiently. The proposed approach is validated with simulations for representative Dutch low-voltage (LV) networks

Telemedicine in the COVID-19 Pandemic: Motivations for Integrated, Interconnected, and Community-Based Health Delivery in Resource-Scarce Settings?

10.3389/fpsyt.2020.564452Frontiers in Psychiatry1156445