Corrosion Inhibition of Mild-Steel in (1M) HCl using Spands Reagent

The effect of Spands Reagent on the dissolution of Mild-steel in 1M HCl solution was studied using weight loss and galvanostatic polarization techniques. The inhibition efficiency of inhibitor increases with concentration to attain (75.26%) at concentration  1—10-2 M ,and standing time for 180 min at 25°C. Temperature effect on the corrosion behavior was studied at temperature range from 25-45°C, the results showed that inhibition efficiency decreased with increasing temperature to attain (64.53%) at concentration 1—10-2 M at 45°C and with standing time equal to 180 min. The effect of temperature on the rate of corrosion in the absence and presence of Spands Reagent was also studied. The Kinetic Parameters were calculated and discussed. The polarization curves revealed that the studied inhibitor represent a mixed type inhibitors. Adsorption of inhibitor was isotherm physisorption type

Synthesis, Analytical and Theoretical Studies of (Z)-4-amino-3-hydroxy-2-((4-(N-(5-methylisoxazol-3-yl)Sulfamoyl)Phenyl)Diazenyl)Naphthalene-1-Sulfonic Acid

New azodye that characterize (Z)-4-amino-3-hydroxy-2-((4-(N-(5-methylisoxazol-3-yl) sulfamoyl) phenyl)diazenyl)naphthalene-1-sulfonic acid (1) was synthesized. The azodye has been characterized by IR, visible spectra and elemental (CHN) analysis. The results of visible spectra which recorded in the range (360-6540) nm were showed that the maximum wave length (λmax) of azodye was 500 nm. Analytical studies carried on the dye, the results of the solvent effect were showed high solubility in ethanol and water. But, the results of the pH effect in a range of buffer solution were gave three isopestic points. The ionization constant (pKa) and protonation constant (pKb) were calculated by using the half height method. The results were showed that the pKp1 and pKp2 of each nitrogen atom and pKa of OH-group were equal to 2.5, 4.5 and 8.5 respectively. Theoretical studies also carried on azodye (1). The actual and optimal bonds length of -N=N- was equal to 1.248 in each. Though, internal coordinate mechanics (ICM) of (1) was showed that the angle type in most of atoms was dihedral. But, the R and S configuration were observed in other atoms in the structure of azodye. The results also indicated that the torsion angles (ψ) of (1) were variable. High close contacts of atoms were observed in the structure of azodye. The molecular mechanics (MM2) properties was intended for (1), the results showed that the stretch, bend, stretch-bend, torsion, non-1,4 VDW, 1,4 VDW and the total energy were equal to 61.0809, 627.0240, -1.6517, 179.0634, 4686.8146, 33.0379 and 5585.3692 kcal/mol respectively. High VDW interactions of this molecule was observed, due to the results of dipole/dipole were not computed. Thus, the result of MM2 minimization for azodye (1) was showed high VDW interactions of this molecule higher than before the minimization, due to the result of dipole/dipole was also not computed. The high steric energy (1235.782) was affecting the results of minimization. However, the results of the molecular mechanics force field (MMFF94) energy and gradient for azodye (1) were showed that the total energy and RMS gradient were equal to 26223.422 kcal/ mol and 9113.745 respectively. Further, the results of MMFF94 minimization and MMFF94 minimization/sampling of azodye (1) were showed that the minimization was attended successfully using this method. Keywords: Internal coordinate, Molecular mechanics, Azodye

Editorial: EBV-Associated Carcinomas: Presence, Role, and Prevention Strategies.

This special issue addresses an important topic related to the role of Epstein-Barr virus (EBV) in human carcinomas initiation and progression, which is one of the most common viral infections worldwide. Today, the relationship between EBV infection and several types of human lymphomas is clearly established, including Hodgkin and Burkitt's lymphoma; meanwhile, it was recently pointed out that EBV is present in nasopharyngeal carcinomas as well as other epithelial cancers (1). EBV is ubiquitous human herpesvirus 4, its genome codes more than 85 proteins of which only few are well-understood; More specifically, six nuclear antigens (EBNA: 1, 2, 3A, 3B, 3C, and LP); three latent membrane proteins/genes (LMP: 1, 2A, 2B) as well as small non-polyadenylated RNAs, EBERs 1 and 2 in addition to few microRNAs have been identified so far, as key regulators, of the oncogenic activity of this virus (2, 3). Present estimates indicate that EBV causes 200,000 new cancer cases annually, accounting for ~2% of cancers worldwide (Cancer Research UK). On the other hand, it is important to emphasize that recent investigations have revealed the possible involvement of EBV in other cancers such as cervical, gliomas, and breast, which are highlighted in this issue.This work is supported by Qatar University grants# GCC-2017-002 QU/KU and QUCG-CMED-20182019-3

Synthesis and Biological Activity of Three Novel Azo Dyes

The azo dyes that named, (E)-4-((2-nitrophenyl) diazenyl) benzene-1,3-diol (1), (E)-4- ((3-nitrophenyl) diazenyl) benzene-1,3-diol (2) and (E)-4-((4-nitrophenyl) diazenyl) benzene-1,3-diol (3) were synthesized and then characterized using IR, UV-visible spectrum. These results were compared with that obtained by ChemBio 3D Ultra - [Chem3D XML] Gaussian Interface and were seems to be identical. Then, the antimicrobial activity of each azo dye was carried out against two bacterial strains: Staphylococcus aureus NCTC 6571, and Escherichia coli ATCC 25922, and fungal strains of Candida albicans using Agar-well diffusion method. The results were showed that the three azo dyes were biologically active and the best reactivity was observed in (2). Though, the biological activity of (1) with NO2 group in ortho- position remained reasonable against Candida albicans. But, the effect of (1) was resisted by Staphylococcus aureus and Escherichia coli. However, the (2) and (3) with substituted NO2 group in meta- and para- positions respectively were showed better reactivity’s than (1) towered Candida albicans and Staphylococcus aureus. Further, the Gaussian interface properties and the conformational analysis of (1), (2) and (3) were intended. The results were indicated that the variations in the properties of each azo dye and their conformational energies of generated conformers can affect their biological activity afterward. Keywords: key words, Azo dyes, Staphylococcus aureus, Escherichia coli, Candida albicans, Agar-well diffusion method, Antimicrobial activit

The Effect of a DNA Repair Gene on Cellular Invasiveness: Xrcc3 Over-Expression in Breast Cancer Cells

Over-expression of DNA repair genes has been associated with resistance to radiation and DNA-damage induced by chemotherapeutic agents such as cisplatin. More recently, based on the analysis of genome expression profiling, it was proposed that over-expression of DNA repair genes enhances the invasive behaviour of tumour cells. In this study we present experimental evidence utilizing functional assays to test this hypothesis. We assessed the effect of the DNA repair proteins known as X-ray complementing protein 3 (XRCC3) and RAD51, to the invasive behavior of the MCF-7 luminal epithelial-like and BT20 basal-like triple negative human breast cancer cell lines. We report that stable or transient over-expression of XRCC3 but not RAD51 increased invasiveness in both cell lines in vitro. Moreover, XRCC3 over-expressing MCF-7 cells also showed a higher tumorigenesis in vivo and this phenotype was associated with increased activity of the metalloproteinase MMP-9 and the expression of known modulators of cell-cell adhesion and metastasis such as CD44, ID-1, DDR1 and TFF1. Our results suggest that in addition to its' role in facilitating repair of DNA damage, XRCC3 affects invasiveness of breast cancer cell lines and the expression of genes associated with cell adhesion and invasion

Illegal births and legal abortions – the case of China

BACKGROUND: China has a national policy regulating the number of children that a woman is allowed to have. The central concept at the individual level application is "illegal pregnancy". The purpose of this article is to describe and problematicize the concept of illegal pregnancy and its use in practice. METHODS: Original texts and previous published and unpublished reports and statistics were used. RESULTS: By 1979 the Chinese population policy was clearly a policy of controlling population growth. For a pregnancy to be legal, it has to be defined as such according to the family-level eligibility rules, and in some places it has to be within the local quota. Enforcement of the policy has been pursued via the State Family Planning (FP) Commission and the Communist Party (CP), both of which have a functioning vertical structure down to the lowest administrative units. There are various incentives and disincentives for families to follow the policy. An extensive system has been created to keep the contraceptive use and pregnancy status of all married women at reproductive age under constant surveillance. In the early 1990s FP and CP officials were made personally responsible for meeting population targets. Since 1979, abortion has been available on request, and the ratio of legal abortions to birth increased in the 1980s and declined in the 1990s. Similar to what happens in other Asian countries with low fertility rates and higher esteem for boys, both national- and local-level data show that an unnaturally greater number of boys than girls are registered as having been born. CONCLUSION: Defining a pregnancy as "illegal" and carrying out the surveillance of individual women are phenomena unique in China, but this does not apply to other features of the policy. The moral judgment concerning the policy depends on the basic question of whether reproduction should be considered as an individual or social decision

AI is a viable alternative to high throughput screening: a 318-target study

: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery

Global age-sex-specific mortality, life expectancy, and population estimates in 204 countries and territories and 811 subnational locations, 1950–2021, and the impact of the COVID-19 pandemic: a comprehensive demographic analysis for the Global Burden of Disease Study 2021

Background Estimates of demographic metrics are crucial to assess levels and trends of population health outcomes. The profound impact of the COVID-19 pandemic on populations worldwide has underscored the need for timely estimates to understand this unprecedented event within the context of long-term population health trends. The Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2021 provides new demographic estimates for 204 countries and territories and 811 additional subnational locations from 1950 to 2021, with a particular emphasis on changes in mortality and life expectancy that occurred during the 2020–21 COVID-19 pandemic period. Methods 22 223 data sources from vital registration, sample registration, surveys, censuses, and other sources were used to estimate mortality, with a subset of these sources used exclusively to estimate excess mortality due to the COVID-19 pandemic. 2026 data sources were used for population estimation. Additional sources were used to estimate migration; the effects of the HIV epidemic; and demographic discontinuities due to conflicts, famines, natural disasters, and pandemics, which are used as inputs for estimating mortality and population. Spatiotemporal Gaussian process regression (ST-GPR) was used to generate under-5 mortality rates, which synthesised 30 763 location-years of vital registration and sample registration data, 1365 surveys and censuses, and 80 other sources. ST-GPR was also used to estimate adult mortality (between ages 15 and 59 years) based on information from 31 642 location-years of vital registration and sample registration data, 355 surveys and censuses, and 24 other sources. Estimates of child and adult mortality rates were then used to generate life tables with a relational model life table system. For countries with large HIV epidemics, life tables were adjusted using independent estimates of HIV-specific mortality generated via an epidemiological analysis of HIV prevalence surveys, antenatal clinic serosurveillance, and other data sources. Excess mortality due to the COVID-19 pandemic in 2020 and 2021 was determined by subtracting observed all-cause mortality (adjusted for late registration and mortality anomalies) from the mortality expected in the absence of the pandemic. Expected mortality was calculated based on historical trends using an ensemble of models. In location-years where all-cause mortality data were unavailable, we estimated excess mortality rates using a regression model with covariates pertaining to the pandemic. Population size was computed using a Bayesian hierarchical cohort component model. Life expectancy was calculated using age-specific mortality rates and standard demographic methods. Uncertainty intervals (UIs) were calculated for every metric using the 25th and 975th ordered values from a 1000-draw posterior distribution. Findings Global all-cause mortality followed two distinct patterns over the study period: age-standardised mortality rates declined between 1950 and 2019 (a 62·8% [95% UI 60·5–65·1] decline), and increased during the COVID-19 pandemic period (2020–21; 5·1% [0·9–9·6] increase). In contrast with the overall reverse in mortality trends during the pandemic period, child mortality continued to decline, with 4·66 million (3·98–5·50) global deaths in children younger than 5 years in 2021 compared with 5·21 million (4·50–6·01) in 2019. An estimated 131 million (126–137) people died globally from all causes in 2020 and 2021 combined, of which 15·9 million (14·7–17·2) were due to the COVID-19 pandemic (measured by excess mortality, which includes deaths directly due to SARS-CoV-2 infection and those indirectly due to other social, economic, or behavioural changes associated with the pandemic). Excess mortality rates exceeded 150 deaths per 100 000 population during at least one year of the pandemic in 80 countries and territories, whereas 20 nations had a negative excess mortality rate in 2020 or 2021, indicating that all-cause mortality in these countries was lower during the pandemic than expected based on historical trends. Between 1950 and 2021, global life expectancy at birth increased by 22·7 years (20·8–24·8), from 49·0 years (46·7–51·3) to 71·7 years (70·9–72·5). Global life expectancy at birth declined by 1·6 years (1·0–2·2) between 2019 and 2021, reversing historical trends. An increase in life expectancy was only observed in 32 (15·7%) of 204 countries and territories between 2019 and 2021. The global population reached 7·89 billion (7·67–8·13) people in 2021, by which time 56 of 204 countries and territories had peaked and subsequently populations have declined. The largest proportion of population growth between 2020 and 2021 was in sub-Saharan Africa (39·5% [28·4–52·7]) and south Asia (26·3% [9·0–44·7]). From 2000 to 2021, the ratio of the population aged 65 years and older to the population aged younger than 15 years increased in 188 (92·2%) of 204 nations. Interpretation Global adult mortality rates markedly increased during the COVID-19 pandemic in 2020 and 2021, reversing past decreasing trends, while child mortality rates continued to decline, albeit more slowly than in earlier years. Although COVID-19 had a substantial impact on many demographic indicators during the first 2 years of the pandemic, overall global health progress over the 72 years evaluated has been profound, with considerable improvements in mortality and life expectancy. Additionally, we observed a deceleration of global population growth since 2017, despite steady or increasing growth in lower-income countries, combined with a continued global shift of population age structures towards older ages. These demographic changes will likely present future challenges to health systems, economies, and societies. The comprehensive demographic estimates reported here will enable researchers, policy makers, health practitioners, and other key stakeholders to better understand and address the profound changes that have occurred in the global health landscape following the first 2 years of the COVID-19 pandemic, and longer-term trends beyond the pandemic