Molecular description for magnesium iodide

Graph theory, which has become a powerful area of mathematics, owns much advancement in the field of mathematical chemistry. Recently, chemical graph theory has turned into a very popular area among researchers because of its wide-ranging applications in the field of mathematical chemistry. The manipulation and inspection of chemical structural information is made feasible using molecular descriptors. The molecular topological descriptors are the numerical invariants of a molecular graph and are valuable for predicting their bioactivity. An abundant variety of such indices are taken into consideration and used in pharmaceutical researchers, in theoretical chemistry, in drugs and in several other fields. A topological index actually relates a chemical structure by means of a numeric number. In this recent research work, we have considered the chemical graph of magnesium iodide. We computed degree based topological indices. Mainly, we addressed atom-bond connectivity index (ABC), geometric arithmetic index (GA), fourth atom-bond connectivity index (ABC4), The fifth geometric-arithmetic index (GA5), general Randic' index Ra(G) and First Zagreb index M1(G), Second Zagreb index M2(G) for magnesium iodide, MgI2. Furthermore, the results are analysed and we have provided general formulas for all these above mentioned families of graphs that are in fact very helpful in studying the underlying topologies

Understanding the role of Rho GTPase Rac1 in signaling pathways using antioxidants.

Antioxidants are intimately involved in the prevention of cellular damage, the common pathway for cancer, aging, and a variety of diseases. Antioxidants are molecules, which can safely interact with free radicals and terminate the chain reaction before vital molecules are damaged. Although there are several enzyme systems within the body that scavenge free radicals, the principle micronutrient antioxidants are vitamin E, beta-carotene, and vitamin C. Additionally, selenium, a trace metal that is required for proper function of one of the body's antioxidant enzyme systems, is sometimes included in this category. The body cannot manufacture these micronutrients so they must be supplied in the diet. Antioxidant is capable of slowing or preventing the oxidation of other molecules. Oxidation is a chemical reaction that transfers electrons from a substance to an oxidizing agent. Oxidation reactions can produce free radicals, which start chain reactions that damage cells. Antioxidants terminate these chain reactions by removing free radical intermediates, and inhibit other oxidation reactions by being oxidized themselves. As a result, antioxidants are often reducing agents such as thiols or polyphenols. Although oxidation reactions are crucial for life, they can also be damaging; hence, plants and animals maintain complex systems of multiple types of antioxidants, such as glutathione, Vitamin C, and vitamin E as well as enzymes such as catalase, super oxide dismutase and various peroxidases. Low levels of antioxidants, or inhibition of the antioxidant enzymes, causes oxidative stress and may damage or kill cells. As oxidative stress might be an important part of many human diseases, the use of antioxidants in pharmacology is intensively studied, particularly as treatments for stroke and neurodegenerative diseases. However, it is unknown whether oxidative stress is the cause or the consequence of disease.Digital copy of Thesis.University of Kashmir

Fundamentals of Density Functional Theory: Recent Developments, Challenges and Future Horizons

Density Functional Theory (DFT) is a powerful and commonly employed quantum mechanical tool for investigating various aspects of matter. The research in this field ranges from the development of novel analytical approaches focused on the design of precise exchange-correlation functionals to the use of this technique to predict the molecular and electronic configuration of atoms, molecules, complexes, and solids in both gas and solution phases. The history to DFT’s success is the quest for the exchange-correlation functional, which utilizes density to represent advanced many-body phenomena inside one element formalism. If a precise exchange-correlation functional is applied, it may correctly describe the quantum nature of matter. The estimated character of the exchange-correlation functional is the basis for DFT implementation success or failure. Hohenberg-Kohn established that every characteristic of a system in ground state is a unique functional of its density, laying the foundation for DFT, which is being utilized to explore the novelty of materials. This chapter is aimed to present an overview of DFT by explaining the theoretical background, commonly used approximations as well as their recent developments and challenges faced along-with new horizons

Toxicopathological effects of endosulfan in female Japanese Quails (Coturnix japonica)

Background: The current study was planned to investigate the toxico-pathological effects of endosulfan in female Japanese quails.Methods: A total of 120 quail of 4 weeks old were divided into six equal groups (A-F) and administered endosulfan in feed at dose rate of 0, 5, 25, 50, 100, and 500 mg/kg feed, respectively for 90 days. Parameters studied included clinical signs, feed intake, body weight and mortality. Hematology, serum biochemistry, hatchability and fertility were also determined. Gross and microscopic changes on different organs were recorded.Results: The quails of the group B did not show any clinical signs and had significantly lower values of feed intake, testes relative weight and leukocyte number than those of the control group A. The quails of group C and D had mild depression while those of the group E and F showed nervous excitation following ingestion of endosulfan. There was a dose related delay in onset of crowing, appearance of foamy material in the droppings. The feed intake, erythrocyte and leukocyte counts, hematocrit values, and serum total proteins of endosulfan fed quails were significantly (p < 0.05) lower than that of the group A. The total egg production in groups A, B and C was significantly higher from group D, E and F.  The hatchability in group A and B was significantly higher from groups C, D, E and F. The difference of dead in shell % and early dead among different groups was nonsignificant. Infertile egg percentage was significantly higher in group E compared with all other groups except group F. The necrotic changes were observed in all parts of oviduct in high dose groups, similarly necrotic changes and vacuolar degeneration was observed in hepatic parenchyma in high dose groups D-F.Conclusion: It may be concluded that endosulfan leads to dose dependent changes in the quails.Keywords: Body weight; Coturnix japonica; Endosulfan; Haematological values; Histopatholog

Global incidence, prevalence, years lived with disability (YLDs), disability-adjusted life-years (DALYs), and healthy life expectancy (HALE) for 371 diseases and injuries in 204 countries and territories and 811 subnational locations, 1990–2021: a systematic analysis for the Global Burden of Disease Study 2021

Background Detailed, comprehensive, and timely reporting on population health by underlying causes of disability and premature death is crucial to understanding and responding to complex patterns of disease and injury burden over time and across age groups, sexes, and locations. The availability of disease burden estimates can promote evidence-based interventions that enable public health researchers, policy makers, and other professionals to implement strategies that can mitigate diseases. It can also facilitate more rigorous monitoring of progress towards national and international health targets, such as the Sustainable Development Goals. For three decades, the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) has filled that need. A global network of collaborators contributed to the production of GBD 2021 by providing, reviewing, and analysing all available data. GBD estimates are updated routinely with additional data and refined analytical methods. GBD 2021 presents, for the first time, estimates of health loss due to the COVID-19 pandemic. Methods The GBD 2021 disease and injury burden analysis estimated years lived with disability (YLDs), years of life lost (YLLs), disability-adjusted life-years (DALYs), and healthy life expectancy (HALE) for 371 diseases and injuries using 100 983 data sources. Data were extracted from vital registration systems, verbal autopsies, censuses, household surveys, disease-specific registries, health service contact data, and other sources. YLDs were calculated by multiplying cause-age-sex-location-year-specific prevalence of sequelae by their respective disability weights, for each disease and injury. YLLs were calculated by multiplying cause-age-sex-location-year-specific deaths by the standard life expectancy at the age that death occurred. DALYs were calculated by summing YLDs and YLLs. HALE estimates were produced using YLDs per capita and age-specific mortality rates by location, age, sex, year, and cause. 95% uncertainty intervals (UIs) were generated for all final estimates as the 2·5th and 97·5th percentiles values of 500 draws. Uncertainty was propagated at each step of the estimation process. Counts and age-standardised rates were calculated globally, for seven super-regions, 21 regions, 204 countries and territories (including 21 countries with subnational locations), and 811 subnational locations, from 1990 to 2021. Here we report data for 2010 to 2021 to highlight trends in disease burden over the past decade and through the first 2 years of the COVID-19 pandemic. Findings Global DALYs increased from 2·63 billion (95% UI 2·44–2·85) in 2010 to 2·88 billion (2·64–3·15) in 2021 for all causes combined. Much of this increase in the number of DALYs was due to population growth and ageing, as indicated by a decrease in global age-standardised all-cause DALY rates of 14·2% (95% UI 10·7–17·3) between 2010 and 2019. Notably, however, this decrease in rates reversed during the first 2 years of the COVID-19 pandemic, with increases in global age-standardised all-cause DALY rates since 2019 of 4·1% (1·8–6·3) in 2020 and 7·2% (4·7–10·0) in 2021. In 2021, COVID-19 was the leading cause of DALYs globally (212·0 million [198·0–234·5] DALYs), followed by ischaemic heart disease (188·3 million [176·7–198·3]), neonatal disorders (186·3 million [162·3–214·9]), and stroke (160·4 million [148·0–171·7]). However, notable health gains were seen among other leading communicable, maternal, neonatal, and nutritional (CMNN) diseases. Globally between 2010 and 2021, the age-standardised DALY rates for HIV/AIDS decreased by 47·8% (43·3–51·7) and for diarrhoeal diseases decreased by 47·0% (39·9–52·9). Non-communicable diseases contributed 1·73 billion (95% UI 1·54–1·94) DALYs in 2021, with a decrease in age-standardised DALY rates since 2010 of 6·4% (95% UI 3·5–9·5). Between 2010 and 2021, among the 25 leading Level 3 causes, age-standardised DALY rates increased most substantially for anxiety disorders (16·7% [14·0–19·8]), depressive disorders (16·4% [11·9–21·3]), and diabetes (14·0% [10·0–17·4]). Age-standardised DALY rates due to injuries decreased globally by 24·0% (20·7–27·2) between 2010 and 2021, although improvements were not uniform across locations, ages, and sexes. Globally, HALE at birth improved slightly, from 61·3 years (58·6–63·6) in 2010 to 62·2 years (59·4–64·7) in 2021. However, despite this overall increase, HALE decreased by 2·2% (1·6–2·9) between 2019 and 2021. Interpretation Putting the COVID-19 pandemic in the context of a mutually exclusive and collectively exhaustive list of causes of health loss is crucial to understanding its impact and ensuring that health funding and policy address needs at both local and global levels through cost-effective and evidence-based interventions. A global epidemiological transition remains underway. Our findings suggest that prioritising non-communicable disease prevention and treatment policies, as well as strengthening health systems, continues to be crucially important. The progress on reducing the burden of CMNN diseases must not stall; although global trends are improving, the burden of CMNN diseases remains unacceptably high. Evidence-based interventions will help save the lives of young children and mothers and improve the overall health and economic conditions of societies across the world. Governments and multilateral organisations should prioritise pandemic preparedness planning alongside efforts to reduce the burden of diseases and injuries that will strain resources in the coming decades

Specht's ratio and logarithmic mean in time scale dynamic inequalities and their retrospective variants

In this research article, we investigate reverse Radon's inequality, reverse Bergström's inequality, the reverse weighted power mean inequality, reverse Schlömilch's inequality, reverse Bernoulli's inequality and reverse Lyapunov's inequality with Specht's ratio on time scales. We also present reverse Rogers--Holder's inequality with logarithmic mean and Specht's ratio on time scales. The time scale dynamic inequalities unify and extend some continuous inequalities and their corresponding discrete and quantum versions

M-polynomial and topological indices of zigzag edge coronoid fused by starphene

Chemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial

Pythagorean m-polar Fuzzy Soft Sets with TOPSIS Method for MCGDM

In this article, we introduce the concept of Pythagorean m-polar fuzzy soft sets (PmFSSs). This set reduces to Pythagorean fuzzy soft set for m = 1. We define algebraic operations and some characteristics of PmFSSs. We define some linguistic terms utilizing the notion of product of PmFSSs (&otimes;) by assigning different numeric values to the constant k &isin; [0, &infin;[ and present an illustration to determine whether the traits of being well-dressed and attractive personality is possessed by a person or not and up to what extent. We present an application of PmFSSs in multi-criteria group decision making (MCGDM) problem of appraisal of employee for promotion making use of the well-distinguished tool TOPSIS