Miracle-dz/UniFAR-FTUs huggingface dataset:
Weakening of the pinning point buttressing Thwaites Glacier, West Antarctica

Abstract. The Thwaites Eastern Ice Shelf continues to buttresses a significant portion of Thwaites Glacier through contact with a pinning point 40 km offshore of the present grounding line. Predicting future rates of Thwaites Glacier’s contribution to sea-level rise depends on the evolution of this pinning point and the resultant change in the ice-shelf stress field since the break-up of the Thwaites Western Glacier Tongue in 2009. Here we use Landsat-8 feature tracking of ice velocity in combination with model perturbation experiments to show how past changes in flow velocity have been governed in large part by changes in lateral shear and pinning point interactions with the Thwaites Western Glacier Tongue. We then use recent satellite altimetry data from ICESat-2 to show that Thwaites Glacier’s grounding line has continued to retreat rapidly; in particular, the grounded area of the pinning point is greatly reduced from earlier mappings in 2014, and grounded ice elevations continuing to decrease. This loss has created two pinned areas with ice flow now funneled between them. If current rates of surface lowering persist, the entire Thwaites Eastern Ice Shelf will unpin from the seafloor in less than a decade, despite our finding from airborne radar data that the seafloor underneath the pinning point is about 200 m shallower than previously reported. Advection of relatively thin and mechanically damaged ice onto the remaining portions of the pinning point and feedback mechanisms involving basal melting, may further accelerate the unpinning. As a result, ice discharge will likely increase along a 45 km stretch of the grounding line that is currently buttressed by the Thwaites Eastern Ice Shelf.
Behavior of Using the Food Marketplace System in the New Normal Era of COVID-19 in Indonesia

The obligation to keep a distance from other people due to the pandemic has changed the pattern of human life, especially in shopping for their primary needs, namely food. The food marketplace's presence presents new hope in maintaining health and food availability without having to crowd with other people while shopping. The main problem that is often a concern for shopping online is the security of transactions and the ease of using this food marketplace application. This research is the intensity of using the Food Marketplace in terms of interest, transaction security, and ease of use of this application. Researchers analyzed the relationship between variables with the Structural equation model. Respondents who became this sample were 300 application users spread across various major cities in Indonesia. This study's results provide a view that the intensity of the use of the food marketplace has increased significantly during the new normal life. This paper's main value lies in providing a better understanding of consumer behavior in the Indonesian food marketplace that has not been previously researched. By investigating the factors that influence the intensity of use of the food marketplace, it is hoped that it will provide a basis for further research
An Optimization Approach for Multiple Sequence Alignment using Divide-Conquer and Genetic Algorithm

Multiple Sequence Alignment (MSA) is a very effective tool in bioinformatics. It is used for the prediction of the structure and function of the protein, locating DNA regulatory elements like binding sites, and evolutionary analysis. This research paper proposed an optimization method for the improvement of multiple sequence alignment generated through progressive alignment. This optimization method consists of a fusion of two problem-solving techniques, divide-conquer and genetic algorithms in which the initial population of MSAs was generated through progressive alignment. Each multiple alignment was then divided vertically into four parts, three genetic operators were applied on each part of the MSA, recombination was done to reconstruct the full MSA. To estimate the performance of the method the results generated through the method are compared with well-known existing MSA methods named Clustal Ω, MUSCLE, PRANK, and Clustal W. Experimental results showed an 11-26% increase in sum_of_pair score (SP score) in the proposed method in comparison to the above-mentioned methods. SP score is the cumulative score of all possible pairs of alignment within the MSA. Keywords—Multiple sequence alignment; divide; and conquer; genetic algorithm; optimization method
In vitro interaction investigation between three Ru(II) arene complexes and human serum albumin: structural influences

Ru(II) arene complex-based anticancer drugs have attracted great attention in biomedical and pharmacological areas. The investigation of structural influences helps in understanding biological effects and in contributing to the development of new drugs. The study of protein–drug interactions is very important for understanding the mechanism behind the bioactivities of drugs. To examine the potential of Ru(II) arene complexes as therapeutics, we systematically investigated the structural influences of three Ru(II) arene complexes (Ru-1, Ru-2, and Ru-3) based on their in vitro interaction with human serum albumin (HSA) by multi-spectroscopic methods. The binding interactions of three drugs with HSA results in the formation of three HSA–drug complexes, and van der Waals forces and hydrogen bonding played major roles in stabilizing these complexes. The changes of micro-environments and conformations of HSA were significant and the biological activity of HSA was weakened when present in the three drugs. We found that a number of Ru(II) arene groups and space steric hindrance were responsible for the differences in the in vitro interactions between different Ru(II) arene complexes and HSA. Our results together provide further molecular level understanding of binding interactions of protein with Ru(II) arene complexes and a strategy for the research of structural influences.
Development of GSK's NMR guides – a tool to encourage the use of more sustainable solvents

Residual solvents often appear as nuisance signals in experimental NMR spectra, and many chemists turn to well-known literature sources to quickly identify such peaks. While these publications are very useful, they do not currently include many solvents exemplified in green chemistry-related literature. This work provides a single compiled reference for NMR chemical shifts of 80 solvents in each of 6 deuterated NMR solvents. The overall green chemistry assessments, as reached via the methodology of the GSK Solvent Sustainability Guide, are displayed on these charts.
Bacteriological profile of septicemia in post-neonatal age group and children at Tertiary Care Hospital, Gujarat

Introduction: Infections remain one of the major problems in pediatric intensive care unit and are leading cause not only of admission but also mortality in developing countries. Mortality from pediatric sepsis ranges from 9% to 35%. Objective: To study the prevalence & bacteriological profile of septicemia in post neonatal (29 days to 1 year) age group and older children (> 1- 12 year). Material and Methods: Venous blood was collected (2 ml in post neonatal and 5 ml in older children) and inoculation in blood culture bottle. Further processing was done by standard microbiological guidelines. Results: In present study out of 84 clinically suspected 52 (61.90%) were males and 32 (38.10%) were females. Among 84 cases, 31 (36.90%) were post neonatal cases and 53 (63.10%) were older children. Out of 31 post neonatal cases, in 6 (19.35%) cases pathogen were isolated and among them 3 were S.aureus & 1(33.33%) was MRSA. Out of 53 older children, in 14 (26.42%) cases pathogen were isolated and among them 5 S.aureus, 3E.coli, 3Klebsiella spp. were isolated out of which 3(60%), 6 (50%) were MRSA & ESBL respectively. Conclusion: Prevalence of septicemia is 9.83% in post neonatal age group and 22.95% in older children. Septicemia is more common in male age group. Most common clinical presentation in post neonatal age group and older children was fever of unknown origin. Keywords: Pediatric Septicemia, Age & Gender wise distribution, Bacteriological profile, Associated factors, Clinical presentation
Preparation and application of novel biodegradable polyurethane copolymer

Polyurethanes and polylactides are widely used due to their excellent mechanical properties, biocompatibility, and flexible construction options and their degradable, hydrolyzable and biocompatible characteristics, respectively. Herein, a novel polyurethane copolymer, poly(L-lactide)-b-(4,4′-diphenylmethane diisocyanate)-functionalized graphene (PLLA-b-PU-f-G), was prepared by the ring-opening polymerization of LLA using phenol-functionalized graphene and tin octoate as the initiator and catalyst, respectively, followed by the condensation polymerization of OH-terminated poly(L-lactide)-functionalized graphene (G-g-PLLA) and 4,4′-diphenylmethane diisocyanate (MDI). The compositional analysis and structural characterization of the resulting materials were done by FTIR, 1H NMR, TG, and DSC. The FTIR and 1H NMR results clearly showed that graphene can be covalently functionalized with polyurethane and polylactides by the proposed approach. DSC analysis indicated that with increasing graphene content, the Tg value of G-g-PLLA tends to increase mildly. A simulative ocean hanging plate experiment indicated that the copolymer material has a better antifouling performance than polyurethane. A static hydrolysis experiment showed that the incorporation of graphene increased the hydrolysis ability of polyurethane, indicating that the functionalized polyurethane can be expected to serve as a marine antifouling coating by conferring a smooth surface.
High-pressure synthesis of Na2Mg6Si6O18(OH)2—a new hydrous silicate phase isostructural with aenigmatite

Abstract A new hydrous phase, Na2Mg6Si6O18(OH)2, which is isostructural with aenigmatite, was synthesized at 10 GPa and 1250 °C and its structure studied with X-ray diffraction data collected from a twinned crystal on a CCD diffractometer. The unit-cell parameters are a = 10.2925(9), b = 10.7052(9), c = 8.8027(10) Å, α = 105.280(2), β = 96.712(2), γ = 125.256(2)°, and V = 718.1(5) Å3. The structure refinement indicates that O4 and O14, the only 2 O atoms that are not bonded to Si, are protonated. The presence of OH in the structure is confirmed by an unpolarized Raman spectrum. Compared to anhydrous sodic phases with the aenigmatite-type structure, silicate chains in hydrous Na2Mg6Si6O18(OH)2 are more kinked, resulting in relatively long average Na-O distances.
Study of Japanese sensitivity of surrounding information on photo-haiku

Introduction Educational and psychological research on the ways culture influences how we look at, and interpret, photographs are supported by this current study which uses haiku to measure viewpoints.This study adds to the increasing number of research studies which suggest that Westerners and East Asians literally see the world differently (Hall, 1989; Masuda and Nisbett, 2001; Gutchess, Welsh, Boduroglu, and Park, 2006; lyengar, 2010). Culture does affect the way the participants in this project perceived the world through photographs. And what they saw in the photos determined how they interpreted the world and wrote about it.
Modeling the Aggregation of Asphaltene Nanoaggregates in Crude Oil−Precipitant Systems

This study discusses the development of a generalized geometric population balance model for simulating the growth of asphaltene aggregates from the nanometer scale to micrometer-sized particles. The Smoluchowski kernel has been incorporated to describe the aggregation of asphaltene nanoaggregates, which is induced by the addition of a precipitant, e.g., heptane. Rather than using the discretization of particle sizes based on the particle volumes, a discretization scheme based on the number of asphaltene molecules is incorporated, which ensures that the mass is conserved in this model. The model is in good agreement with the experimental data for the evolution of asphaltene aggregates at different times collected by centrifugation. The particle size distribution (PSD) of the asphaltene aggregates as a function of time is also determined. It was observed that the shift of the PSD to larger diameters is faster in the case of higher heptane concentrations because of the greater mass of asphaltenes precipitat.
Computational Chemistry Analysis of Hydrodesulfurization Reactions Catalyzed by Molybdenum Disulfide Nanoparticles

Molybdenum disulfide, MoS2, is a very versatile material used in several applications of science and engineering. In particular, when supported on alumina, it is a widely used catalyst for hydrotreating processes in petroleum refineries. Stringent environmental norms and uncertainty in import of low sulfur crude oil put pressure on refiners worldwide to develop more efficient catalysts to meet the demand of clean fuel. The hydrodesulfurization of thiophene and dibenzothiophene on both unpromoted and nickel-promoted MoS2 catalyst is analyzed using a multiscale approach including classical molecular dynamics (MD) and density functional theory (DFT). MD simulations are performed on a hydrocarbon mixture containing sulfur compounds to determine relative positions of thiophene and dibenzothiophene molecules with respect to the MoS2 catalytic surface previous to possible reactions that are then studied with DFT. The sample box contains a total of 57 515 atoms and is able to represent a realistic size of the nan.
A revised diamond-graphite transition curve

Abstract The transition from diamond to graphite is a key equilibrium for interpreting ultrahigh-pressure metamorphic rocks. Despite widespread interest, there remain significant systematic differences between the best available experimental determinations of P and T (Kennedy and Kennedy 1976) and numerous thermodynamic calculations of the transition. At temperatures below 1400 K, calculated equilibrium pressures are lower than extrapolations of the experiments by as much as 5 kbar. At 3000 K, calculated pressures vary from more than 8 kbar above to almost 20 kbar below the position of the extrapolated transition. A revised curve based on a critical review of the experimental and thermodynamic data is consistent with expanded experimental brackets and the preferred calorimetric data. It is steeper than the transition proposed by Kennedy and Kennedy (1976) and previous calculations and passes through 16.2 kbar, 298 K; 33.9 kbar, 1000 K; 63.5 kbar, 2000 K; and 98.4 kbar, 3000 K. The revised curve implies that the minimum pressure for formation of diamond-bearing crustal rocks is 3-4 kbar less than implied by extrapolation of the experiments. Because the revised transition is steeper than most previous calculations, the triple point among graphite, diamond, and liquid carbon may be as much as 40 kbar higher than previously estimated.
A Density Functional Theory Study on Pyrolysis Mechanism of Lignin in Hydrogen Plasma

The reaction mechanism of lignin pyrolysis in hydrogen plasma has been studied by using phenethyl phenyl ether as the model compound. Density functional theory was employed here. Many possible reactions were proposed. All calculations were performed in the Gaussian 09 program, and the reaction enthalpies and activation energies of these reactions were determined at the B3LYP/6-31G (d,p) level. Calculation results indicate that syngas and acetylene are the main products of lignin pyrolysis in hydrogen plasma. The aldehyde group is the main source of CO. The dehydrogenation process is responsible for the production of hydrogen, and active hydrogen atoms in plasma can make it more favorable. Acetylene mainly comes from the benzene ring and its branch. A subsequent discussion on biomass pyrolysis in plasma found that biomass composition has important effects on product distribution. Syngas can come from both cellulose and lignin, while only lignin is the main source of acetylene formation.
Aceclofenac–β-cyclodextrin-vesicles: a dual carrier approach for skin with enhanced stability, efficacy and dermatokinetic profile

The aim of the current investigation was to develop and characterize lipid-based carriers of aceclofenac (ACE) with enhanced stability and transdermal delivery potential to the inflammatory sites in osteoarthritis. An attempt was made to complex the drug with a biocompatible complexing agent, i.e., β-cyclodextrin and the same was further encapsulated in the lipid bilayers of liposomes. FT-IR studies depicted the masking of one of the functional groups of ACE indicating the interaction of the drug–CD complex with the lipid bilayers of the prepared liposomes. The values of particle size, polydispersity index (PDI), zeta potential of the developed carrier system were found to be 481.7 nm, 0.214 and −29.54 mV, respectively. The system was further incorporated in a hydrogel which was found to be a shear-thinning system with a yield value of 3.625 Pa and viscosity of 3.085 Pa s. Skin permeation studies revealed the superiority of the prepared ACE loaded-β-CD liposomal gel over the MKT gel with an enhancement ratio of 2.69. Skin irritancy studies performed on LACA mice skin proved the safety and non-irritancy of the prepared formulation. The dermatokinetic studies confirmed better permeation and enhanced skin bioavailability of ACE to epidermis as well as dermis vis-a-vis the MKT product. The developed system not only improved the delivery aspects of ACE, but also offered substantial stability to this highly hydrolysis labile molecule. The current findings provide a lead for the development of an effective topical formulation of ACE with substantial stability in β-cyclodextrin-vesicles.
High rate thermophilic anaerobic wastewater treatment in compartmentalized upflow reactors

Thermophilic anaerobic treatment of acidified and partially acidified wastewater was studied using Upflow Staged Sludge Bed (USSB) reactors. Reactors were composed of various compartments of which each was equipped with a gas-solid separator. This novel approach for thermophilic wastewater treatment led to a reduction or even elimination of major biological and physical limitations of conventional high rate thermophilic conversion processes. The main achievements of the plugflow reactor were i) very low concentrations of volatile fatty acids (VFA) in the effluent, ii) a high degree of sludge retention, and iii) stable reactor performance. The start-up of the reactors was done with either ‘crushed’ mesophilic granular sludge (MGS) or the digested organic fraction of municipal solid waste (OFMSW) as inoculum. A mixture of VFA and a mixture of sucrose-VFA were used as feed. A good operation performance was achieved within 1 month, and the granulation process of the thermophilic biomass was clearly visible after 1-1.5 months of operation. Within 2-3 months, the organic loading rate could be increased up to 100 kg sucrose-VFA-COD m −3 day −1 with a COD removal efficiency exceeding 90% at a HRT of 2-2.5 h. No significant wash-out of the thermophilic biomass was observed despite the extreme biogas load of 40-50 m 3 m −3 reactor day. A certain percentage of sucrose was essential for the thermophilic granulation process; in the reactors treating solely the VFA mixture almost no granules were formed. Nevertheless, also in the latter reactors a satisfactory biomass hold up was observed despite the disperse nature of the sludge. The advantage of using compartmentalized reactors was clearly demonstrated under extreme loading conditions. A typical sequence in the degradation of the partially acidified substrate was found. In the first compartment sucrose was converted, followed by the conversion of butyrate and acetate in the next compartments. Propionate was the most difficult intermediate to degrade, but in the last compartments even this fatty acid was degraded almost completely.
On the Decomposition Rate of Soil Organic Matter in Humic Allophane Soils of Mt. Kirigamine

Large areas in Japan are covered with volcanic ash soils (humic allophane soils, Ando soils, etc. ). These areas are generally less productive because of scarcity of nutrient salts available to plant growth, and only a few parts of the areas have been utilized for cultivation, most parts being left as semi-natural grassland. Although enrichment of these areas to make well-managed pastures with high yield of forage production is an urgent problem, we have so far little fundamental knowledge about the circulation of nutrient elements in such humic allophane soils. Essential elements for plant growth circulate, though imperfectly, between soil and plants in an ecosystem. Little part of nutrients in plant tissues is leached out from living leaves by rain and dewy , but most part is just released after the death of the tissues to be available to the producer through the decomposition by soil microbes. Therefore, the decomposition rate may decide the velocity of circulation of nutrient elements, and the growth of plants. The present paper is concerned with the decomposition rate of the organic matter in humic allophane soils in relation to the various factors such as temperature, pH, and nutrient element level in the soil.
DISPONIBILIDADE DE COBRE À VIDEIRA CONSORCIADA COM GRAMÍNEAS EM SOLO COM ALTA CONCENTRAÇÃO DO METAL

O trabalho teve como objetivo obter informacoes sobre o acumulo de cobre nos tecidos da videira quando consorciada com gramineas sobre solos contaminados com o metal, durante o desenvolvimento inicial. O ensaio foi conduzidos em 2008/2009, em casa de vegetacao, com a cultivar Cabernet Sauvignon ( Vitis vinifera ), enxertada sobre Paulsen 1103 , conduzidas em haste unica em vasos de 10 L. Os tratamentos corresponderam ao plantio da videira em solo contaminado sem consorciacao (Controle), consorciada com ( Cynodon dactylon L.) (T1) e ( Digitaria decumbens Stent) (T2), compondo um delineamento inteiramente casualizado. Avaliou-se a concentracao de cobre na videira e nas gramineas apos 75 dias e o cobre apoplastico e simplastico. Para as condicoes experimentais, a pratica de consorciacao influencia na absorcao e no acumulo de cobre nas videiras, reduzindo o conteudo do metal nas raizes e folhas quando consorciadas, concentrando cobre na parede celular das raizes reduzindo sua mobilidade aos orgaos superiores.