Esterification of succinic anhydride to di-(p-cresyl) succinate over M n+-montmorillonite clay catalysts

Esterification of succinic anhydride to di-(p-cresyl) succinate over heterogeneous acid clay catalysts is reported. Montmorillonite clay samples exchanged with different cations were prepared and catalytic activity of the resulting materials was investigated in the synthesis of di-(p-cresyl) succinate esters. Among the exchanged clay catalysts, Al3+ and H +-mont were found to be more active for the esterification of succinic anhydride with p-cresol. The activity of Mn+-mont was found to be directly related to the charge to radius ratio of Mn+-ions. The influence of molar ratio of reactants, reaction time, and catalyst amount on the esterification reaction was investigated. The esterification was found to follow the second order rate kinetics and the kinetic parameters such as rate constant (k), equilibrium constant (K) and Gibbs free energy (ÎG°) for the reaction have been determined. The activity of Al3+-mont clay catalyst for the esterification of succinic anhydride with phenol, m-cresol, o-cresol, p-nitrophenol and resorcinol have been studied. Regeneration and reusability of the clay catalyst has also been investigated. © 2004 Elsevier B.V. All rights reserved

Brønsted and Lewis acidity of modified montmorillonite clay catalysts determined by FT-IR spectroscopy

The surface acidity of different modified montmorillonite clay catalysts, Al3+-exchanged montmorillonite (Al3+-Mont) and aluminium pillared montmorillonite (Al-PILC) was determined by DRIFTS (diffuse reflectance Fourier transform infrared spectra) using pyridine as probe molecule. The method involved treating the clay sample directly with pyridine, drying the sample at 120 °C and recording FT-IR spectra in the region 1650 and 1350 cm−1. The spectra obtained showed well resolved absorption bands for Lewis and Brønsted acid sites in the clay catalysts. In order to understand the role of acid sites present on clay catalysts, esterification of propionic acid with p-cresol has been studied. The Brønsted acidity data obtained by FT-IR study for modified montmorillonite clay catalysts correlated well with the catalytic activity in the esterification reaction. Among the modified clay catalysts, Al3+-Mont and H+-Mont clay catalysts showed good activity and Al-PILC showed negligible activity in esterification. The inactivity of Al-PILC catalysts is attributed to the absence of Brønsted acidity

Synthesis of phenylacetates using aluminium-exchanged montmorillonite clay catalyst

Liquid phase esterification of phenylacetic acid with phenol and substituted phenols has been investigated over montmorillonite clay exchanged with H + - Al 3+ - and aluminium polyhydroxy oligomer cations. Among the catalysts studied, Al 3+ - montmorillonite dried at 100°C showed 67 conversion, while the same catalyst dried at 200deg;C showed reduced conversion of 36. Al 3+ - montmorillonite dried at 400°C and montmorillonite exchanged with aluminium polyhydroxy oligomer cations dried at 100°C and calcined at 500°C failed to bring about the reaction. Effects of mole ratio of reactants, reaction period and catalyst amount on yield of the ester and catalyst regeneration are also investigated. Esterification of phenylacetic acid with phenol, cresols, nitrophenols and resorcinol has been carried out in the presence of montmorillonite clay exchanged with H +-ions, Al 3+-ions and polyhydroxy oligomer cations of Al. Na +-montmorillonite (raw clay) was inactive, H +- and Al 3+-montmorillonites, dried at 100°C, showed 52 and 67 conversions to ester, respectively, upon refluxing the phenylacetic acid (20 mmol) and p-cresol (40 mmol) for 6 h. While Al 3+- montmorillonite dried at 200°C showed a conversion of 36 the same catalyst when dried at 400°C showed no conversion. Montmorillonite exchanged with aluminium polyhydroxy oligomers dried at 100°C and calcined at 500°C to get pillared clay (d 0 0 1=17.5 à ) failed to bring about the esterification. Effect of concentration of reactants, amount of catalyst and the reaction time on the yield of p-cresyl phenylacetate has been investigated. The esterification of phenylacetic acid with phenol and substituted phenols like m-cresol, o-cresol, p-nitro phenol and o-nitro phenol showed reduced yield due to steric factors. The activity of the clay catalyst after regeneration has also been studied. © 2004 Published by Elsevier B.V

Synthesis and Pharmacological Evaluation of Novel Schiff Base Analogues of 3-(4-amino) Phenylimino) 5-fluoroindolin-2-one

In our study, a series of novel 3-(4-(benzylideneamino) phenylimino) 4-fluoroindolin-2-one derivatives were synthesized and characterized by spectral (I.R, 1H NMR, mass) and elemental analysis. The title compounds (N1-N10) were evaluated for analgesic, anti-inflammatory, and ulcerogenic index activities. Results displayed that compound N3 exhibited significant analgesic activity. Among the title compounds studied, N2, N3, and N8 exhibited significant anti- inflammatory activity comparable to reference standard diclofenac sodium. Interestingly, the test compounds showed only mild ulcerogenic side effect when compared to aspirin

Adsorption of Reactive Particles on a Random Catalytic Chain: An Exact Solution

We study equilibrium properties of a catalytically-activated annihilation $A + A \to 0$ reaction taking place on a one-dimensional chain of length $N$ ($N \to \infty$) in which some segments (placed at random, with mean concentration $p$) possess special, catalytic properties. Annihilation reaction takes place, as soon as any two $A$ particles land onto two vacant sites at the extremities of the catalytic segment, or when any $A$ particle lands onto a vacant site on a catalytic segment while the site at the other extremity of this segment is already occupied by another $A$ particle. Non-catalytic segments are inert with respect to reaction and here two adsorbed $A$ particles harmlessly coexist. For both "annealed" and "quenched" disorder in placement of the catalytic segments, we calculate exactly the disorder-average pressure per site. Explicit asymptotic formulae for the particle mean density and the compressibility are also presented.Comment: AMSTeX, 27 pages + 4 figure

Response of seeds and pollen of Onobrychis viciifolia and Onobrychis oxyodonta var. armena to NaCl stress

Sainfoin (Onobrychis viciifolia Scop.) is an important forage legume crop with 52 species adapted to dry and poor soils in Turkey, but little is known about the effects of salinity on germination and seedling growth in arid and semiarid regions suffering from salinity problem. The seeds and pollen of two species of sainfoin O. viciifolia and O. oxyodonta var. armena (Syn: O. armena) were exposed to 0, 5, 10, 20 and 30 dS m-1 of NaCl under in vivo and in vitro conditions and evaluated for germination under salt stress by comparing germination percentage, mean germination time, root and shoot length, fresh and dry seedling weight and dry matter. Increased salinity levels generally resulted in decrease in all traits except time to germination, dry seedling weight and dry matter, which increased at high salinity levels. O. viciifolia seeds germinated and grew more rapidly compared to O. armena seeds under NaCl stress. No decrease in germination and seedling growth up to 10 dS m-1 was recorded. On the other hand, there was a clear difference for germination and seedling growth between in vivo and in vitro conditions. Lower values were obtained from in vitro experiments; suggesting that mineral salts, sucrose and agar may have resulted in higher osmotic potential inhibiting germination and seedling growth of species compared in vivo conditions. Decrease in pollen germination with increasing salinities was very sharp, indicating that pollen germination had higher sensitive to salinity. But, pollen grains of O. armena germinated rapidly compared to O. viciifolia. The results emphasize that in vivo experiments could be used for screening of NaCl tolerance in sainfoin cultivars without expensive chemicals and sophisticated equipments, but pollen germination is more appropriate for its wild relatives

Integrative analysis of genomic variants reveals new associations of candidate haploinsufficient genes with congenital heart disease

Congenital Heart Disease (CHD) affects approximately 7-9 children per 1000 live births. Numerous genetic studies have established a role for rare genomic variants at the copy number variation (CNV) and single nucleotide variant level. In particular, the role of de novo mutations (DNM) has been highlighted in syndromic and non-syndromic CHD. To identify novel haploinsufficient CHD disease genes we performed an integrative analysis of CNVs and DNMs identified in probands with CHD including cases with sporadic thoracic aortic aneurysm (TAA). We assembled CNV data from 7,958 cases and 14,082 controls and performed a gene-wise analysis of the burden of rare genomic deletions in cases versus controls. In addition, we performed mutation rate testing for DNMs identified in 2,489 parent-offspring trios. Our combined analysis revealed 21 genes which were significantly affected by rare genomic deletions and/or constrained non-synonymous de novo mutations in probands. Fourteen of these genes have previously been associated with CHD while the remaining genes (FEZ1, MYO16, ARID1B, NALCN, WAC, KDM5B and WHSC1) have only been associated in singletons and small cases series, or show new associations with CHD. In addition, a systems level analysis revealed shared contribution of CNV deletions and DNMs in CHD probands, affecting protein-protein interaction networks involved in Notch signaling pathway, heart morphogenesis, DNA repair and cilia/centrosome function. Taken together, this approach highlights the importance of re-analyzing existing datasets to strengthen disease association and identify novel disease genes

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. Funding: Bill & Melinda Gates Foundation

Highly-parallelized simulation of a pixelated LArTPC on a GPU

The rapid development of general-purpose computing on graphics processing units (GPGPU) is allowing the implementation of highly-parallelized Monte Carlo simulation chains for particle physics experiments. This technique is particularly suitable for the simulation of a pixelated charge readout for time projection chambers, given the large number of channels that this technology employs. Here we present the first implementation of a full microphysical simulator of a liquid argon time projection chamber (LArTPC) equipped with light readout and pixelated charge readout, developed for the DUNE Near Detector. The software is implemented with an end-to-end set of GPU-optimized algorithms. The algorithms have been written in Python and translated into CUDA kernels using Numba, a just-in-time compiler for a subset of Python and NumPy instructions. The GPU implementation achieves a speed up of four orders of magnitude compared with the equivalent CPU version. The simulation of the current induced on 10^3 pixels takes around 1 ms on the GPU, compared with approximately 10 s on the CPU. The results of the simulation are compared against data from a pixel-readout LArTPC prototype