Miracle-dz/UniFAR-FTUs huggingface dataset:
Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential

Stellatolides are natural compounds that have shown promising biological activities, including antitumor, antimicrobial, and anti-inflammatory properties, making them potential candidates for drug development. Chemical Reactivity Theory (CRT) is a branch of chemistry that explains and predicts the behavior of chemical reactions based on the electronic structure of molecules. Conceptual Density Functional Theory (CDFT) and Computational Peptidology (CP) are computational approaches used to study the behavior of atoms, molecules, and peptides. In this study, we present the results of our investigation of the chemical reactivity and ADMET properties of Stellatolides A-H using a novel computational approach called Conceptual DFT-based Computational Peptidology (CDFT-CP). Our study uses CDFT and CP to predict the reactivity and stability of molecules and to understand the behavior of peptides at the molecular level. We also predict the ADMET properties of the Stellatolides A–H to provide insight into their effectiveness, potential side effects, and optimal dosage and route of administration, as well as their biological targets. This study sheds light on the potential of Stellatolides A–H as promising candidates for drug development and highlights the potential of CDFT-CP for the study of other natural compounds and peptides.
Reservoir sedimentation; a literature survey

A survey of literature is made on reservoir sedimentation, one of the most threatening processes for world-wide reservoir performance. The sedimentation processes, their impacts, and their controlling factors are assessed from a hydraulic engineering point of view with special emphasis on mathematical modelling. The objective of this study is to find the remaining gaps in the understanding of the relevant features, and the needs for further research. The physics of sediment distribution (such as delta formation and density currents) and the present modelling techniques are identified for various types of reservoirs. Attention is also paid to the operational aspects and the environmental impacts of the reservoir on the river-system morphology. Finally the methods to reduce the sediment inflow, to reduce the accumulation, or to remove the deposits are described. Evaluating the state of knowledge it is clear that a large number of physical processes are involved which are not well understood or hard to simulate. Recommended is to develop more comprehensive mathematical models and to do more specific laboratory research.
Trends of OCS, HCN, SF6, CHClF2 (HCFC‐22) in the lower stratosphere from 1985 and 1994 Atmospheric Trace Molecule Spectroscopy Experiment measurements near 30°N latitude

Volume mixing ratio (VMR) profiles of OCS, HCN, SF6, and CHClF2 (HCFC-22) have been measured near 30°N latitude by the Atmospheric Trace Molecule Spectroscopy Fourier transform spectrometer during shuttle flights on 29 April–6 May 1985 and 3–2 November 1994. The change in the concentration of each molecule in the lower stratosphere has been derived for this 9 1/2-year period by comparing measurements between potential temperatures of 395 to 800 K (∼17 to 30 km altitude) relative to simultaneously measured values of the long-lived tracer N2O. Exponential rates of increase inferred for 1985–to–1994 from these comparisons are (0.1 ± 0.4)% yr−1 for OCS, (1.0±1.0)% yr−1 for HCN, (8.0±0.7)% yr−1 for SF6, and (8.0±1.0)% yr−1 for CHClF2 (HCFC-22), 1 sigma. The lack of an appreciable trend for OCS suggests the background (i.e., nonvolcanic) source of stratospheric aerosol was the same during the two periods. These results are compared with trends reported in the literature.
Shoaling of Solitary Waves on Plane Beaches

Shoaling of solitary waves on both gentle (1:35) and steeper slopes ( 1:6.50) is analyzed up to breaking using both a fully nonlinear wave model and high-accuracy laboratory experiments. For the mildest slope, close agreement is obtained between both approaches up to breaking, where waves become very asymmetric and breaking indices reach almost twice the value for the largest stable symmetric wave. Bottom friction does not seem to affect the results at all. Wave celerity decreases during shoaling and slightly increases before breaking. At breaking, the crest particle velocity is almost horizontal and reaches 90% of the crest celerity, which is two to three times larger than the bottom velocity. The nonlinear shallow water equations and the Boussinesq approximation both fail to predict these results. Finally, shoaling rates for various wave heights and bottom slopes differ from the predictions of Green's or Boussinesq shoaling laws. On the mildest slope, shoaling rates roughly follow a "two-zone" model proposed earlier but on steeper slopes reflection becomes significant and wave heights change little during shoaling.
Sea Conch Peptides Hydrolysate Alleviates DSS-Induced Colitis in Mice through Immune Modulation and Gut Microbiota Restoration

Inflammatory bowel disease (IBD) is a persistent, lifelong inflammation of the digestive system. Dextran sulfate sodium is commonly used to induce colitis in experimental animal models, which causes epithelial damage, intestinal inflammation, mucin depletion, and dysbiosis of the gut microbiota. Various prebiotics, polysaccharides, and polypeptides are used for IBD treatment. In this study, we used a murine model utilizing BALB/c mice, with 10 mice per group, to investigate the treatment effect of sea conch peptide hydrolysate (CPH) on DSS-induced colitis mice. Colitis was induced through the administration of 2.5% DSS in drinking water over a seven-days period. Furthermore, on the eighth day of the experiment, sea conch peptide hydrolysate (CPH) at low (100 mg/kg), medium (200 mg/kg), and high (400 mg/kg) doses, which were continued for 14 days, were assessed for medicinal purposes in DSS-induced colitis mice. Our results showed that CPH treatment significantly alleviated the severity and symptoms of colitis. The epithelial integrity and histological damage were improved. Intestinal inflammation and inflammatory cell infiltration were improved. Furthermore, the expression of pro-inflammatory cytokines was reduced, and intestinal barrier integrity was restored by elevating the tight junction proteins. Moreover, 16s RNA sequencing revealed dysbiosis of the gut microbiota was observed upon DSS treatment, which was reinstated after CPH treatment. An increased level of Firmicutes and Lactobacillus was observed in the treatment groups. Finally, our results suggest that CPH would be recommended as a functional food source and also have the potential to be used as a medicinal product for different gastrointestinal disorders.
The impact of conservation tillage on soil quality and potential for climate change mitigation

Conservation tillage is generally considered as an important component of sustainable agriculture. The benefits of conservation tillage have been presented as reducing runoff, enhancing water retention and preventing soil erosion. There is also general agreement that it can be used to conserve and enhance soil organic carbon levels to some extent. However, its applicability in mitigating climate change has been extensively debated, especially when the whole profile of carbon in soil is considered along with a reported risk of enhanced N2O emissions under conservation tillage. The suitability of conservation tillage in mitigating climate change and enhancing carbon sequestration is addressed in this research in an integrated approach combining characterisation of the soil porous architecture and other chemical and biological properties. Novel analytical tools such as X-ray Computed Tomography were used to characterise the 3-D soil pore network under conservation tillage for the first time. The study indicated zero tilled soils had a lower net emission of greenhouse gases on a CO2 equivalent basis indicating potentially zero tillage can be used to mitigate climate change. The net global warming potential under conventional tillage was 20% higher than zero tilled soil. A model developed to predict the greenhouse gas emissions from soil found that soil pore characteristics such as porosity played a significant role in the emission of greenhouse gases such as CO2 and CH4 among other factors such as microbial biomass carbon, bulk density and shear strength. Soil porosity alone accounted for 39.7% of the total variation for CO2 flux which was larger than any other parameter including microbial biomass carbon and soil carbon. Soil pore characteristics were revealed as one of the important determinant in aiding the GHG flux in soil. However N2O emission from soil was mainly dependent on soil moisture, microbial biomass carbon and microbial biomass nitrogen. It was also found that zero tilled soils contained 9% more soil carbon and 30% higher microbial biomass carbon than the tilled soil. It was found that tillage mediated aggregate changes could bring changes in carbon storage in soil depending on texture of soil. Increased microbial activity was evident at zero tilled soils as observed from the increased activities of hydrolysing and oxidising enzymes. The preservation of aromatic structures during residue decomposition might have contributed to enhanced sequestration of carbon under zero tilled soils as revealed by the FTIR data. The study indicates that soil management practices strongly influence other properties and by making a suitable choice of the tillage system, a comparative reduction in greenhouse gas emissions could be achieved at the same time enhancing sequestration of carbon.
Convective growth rate of ion cyclotron waves in a H+−He+ and H+−He+−O+ plasma

The behavior of the convective growth rate of the electromagnetic proton-cyclotron instability is investigated in detail in a H+, He+ plasma and when a third (minority) cold ion component such as O+ is taken into account. It is shown that amplification is the result of an interplay between the cold species and the thermal anisotropy of the energetic protons. The results seem to be in good agreement with the observations performed on board GEOS 1 and 2 concerning the generation of ULF waves, below the proton gyrofrequency. It is also shown that a small amount of O+ can strongly affect the behavior of the convective growth rate of the instability below the He+ gyrofrequency, even far away from the O+ stop band.
The mineralogy, geochemistry and surface area of mudrocks from the London Clay Formation of southern England

This report describes the results of mineralogical and geochemical analysis of a suite of mudstones from the London Clay Formation of southern and south-eastern England. The work was carried out as part of the ongoing ‘Ground Movements: Shrink/Swell’ project under the Physical Hazards Programme. The first part of the report gives an introduction to the geology of the London Clay Formation and a summary of previous mineralogical studies of these rocks. A summary of analytical methods employed (X-ray diffraction analysis, X-ray fluorescence spectrometry and surface area determinations) is then provided and the results discussed with reference to their likely effect on the engineering performance of the London Clay Formation. The study has generally confirmed the findings of previous workers with typical non-clay mineral assemblages composed of quartz, feldspar (albite and K-feldspar), carbonates (dolomite, siderite and calcite), ‘mica’, pyrite, gypsum and goethite while clay mineral assemblages are generally formed of smectite, illite, kaolinite and chlorite. However, the wide geographic and stratigraphic distribution of the analysed samples has provided important new information which will aid not only interpretation of the engineering behaviour of these rocks but also their diagenetic and geological histories. The engineering properties of the London Clay Formation are heavily influenced by its clay mineralogy and the proportion of clay minerals present. This study has shown that while the composition of the clay mineral assemblages is similar across the London Clay Formation outcrop, the proportion of clay material increases from west to east. The most clay-rich samples are found in the London Basin and particularly around the Thames estuary, central Essex and just west of London in eastern Berkshire/Surrey. These clay-rich samples also contain the most smectite and are therefore likely to undergo the greatest shrink-swell volume changes during wetting and drying and provide the most problems in terms of their engineering behaviour. It would appear most likely that the smectite in the London Clay Formation was contributed by the reworking of ash-rich soils while kaolinite was sourced from tropical weathering of granites to the west. A rare occurrence of a pure interlayered kaolinite/smectite clay assemblage in a sample from Studland Bay, Dorset is likely to have developed due to the acidic, tropical weathering of a volcanic-ash or smectite-rich deposit. The very common presence of pyrite, together with gypsum in the London Clay Formation means that concrete engineering sited in these rocks may require sulphate-resistant compositions to avoid acid attack and thaumasite formation.
The 1997-1998 Umbria-Marche post-earthquakes investigation: Perspective from a decade of analyses and debates on the surface fractures

The Umbria-Marche sequence represents the first case in Italy for which the surface effects of a moderate seismic event (5<M<6) were systematically investigated and documented. Surface fractures attributed to the events were mapped by several groups of researchers. The coseismic features were expressed mainly by NW-SE trending, discontinuous, linear open fractures, as well as fracture swarms, locally with centimetric vertical displacements. They affected rocks and loose deposits, buildings, and roads. Because of the earthquake sizes (M? 6), the deformation was faint, making the detection difficult and giving rise to different seismotectonic interpretations: specifically, surface rupture of the seismogenic fault, triggered slip on secondary faults, and shaking-induced sliding of debris. Consequently, different models of connection between surface offsets and displacements at depth were proposed that integrated geology with other geophysical data. However, whether direct or indirect expression of the deep dislocation, the geometry of these fractures reflected the seismogenic structure. Even in the case of these moderate-earthquakes features, geomorphical and paleoseismological studies provide data for reconstructing the recent tectonic evolution of the region and for determining the frequency and size of earthquakes. Finally, we learned a more efficient way to prepare for post-earthquake emergency response, particularly for long-lasting sequences in highly vulnerable built environments, such as the ancient villages within the Apennines.
Estimation of Vertical Concentration Profiles from Existing Wells

A method of computing the vertical distributions of solute concentrations in aquifer strata penetrated by an existing well or borehole can be developed from a simple solute mass/water balance approach. This approach allows refinement of site characterization without the cost of drilling additional wells or using other site characterization methods. This method also allows pre‐diction of the water quality impacts of different well construction and screening options when the vertical distribution of flows from an aquifer and the aquifer water concentrations are known or can be estimated. Data requirements and methods of data collection for use of the technique are reviewed. Flowmeter or spinner logging surveys indicate the flow contribution of each portion of the well. When depth‐specific samples are collected under the same pumping conditions as the spinner logging, a solute mass/water balance approach allows vertical concentration distributions in the aquifer to be estimated. Application to a well containing arsenic concentrations that approach the maximum contaminant level (MCL) of 50 μ/L indicates that water with arsenic concentrations of nearly 100 μ/L enters the well from a particular stratum.
Online Self-Help Acceptance and Commitment Therapy Module for College Students with Higher Gaming Disorder During COVID-19: A Pilot Study

Abstract During the COVID-19 pandemic, there was an increase in online gaming behaviour among college students. This study aimed to examine the impact of online self-help interventions consisting of different components within the Acceptance and Commitment Therapy (ACT) framework on college students’ gaming disorder and gaming frequency. Additionally, it evaluated the effectiveness of both interventions in addressing psychological distress among college students during the COVID-19 pandemic. One intervention was a full ACT program, which consists of six core components, while the other intervention focused on the engaged components of ACT (specifically targeting value-based actions). The study employed a 2 conditions (Full ACT vs. Engaged ACT) × 3 times (pre-, mid- and post-program) design to examine the effectiveness of these interventions. Each intervention consisted of 10 sessions, delivered at a frequency of five sessions per week over a 2-week period for both groups. The participants in this study were enrolled in two online classes. Participants with gaming disorder scores in the top 20% were selected and assigned to either the Full group (N = 49) or the Engaged group (N = 41) for the interventions. The study assessed outcome variables, including gaming disorder, psychological flexibility, daily gaming hours, weekly gaming days and psychological distress, at pre-intervention, mid-intervention, post-intervention and one-month follow-up for both groups. No significant differences were observed between the two groups on these outcomes at the pre-intervention stage. The findings of this study indicate that both interventions effectively reduced gaming disorder and weekly gaming frequency, while enhancing psychological flexibility. Nonetheless, the Engaged group exhibited a significant reduction in daily gaming hours. There was no substantial change in psychological distress in either group during and after the intervention. The implications and limitations of this study were also reported.
Parcel Trajectories in Quasigeostrophic Jets: Neutral Modes

Abstract The kinematics and dynamics of linear neutral modes propagating in a mean zonal jet are studied in an effort to understand how particle pathways within and across oceanic jets, such as the Gulf Stream, are determined. Sinuous-, varicose-, and mixed-mode waves are superposed on cusped jets that are governed by quasigeostrophic dynamics and characterized by piecewise uniform potential vorticity. Significant excursions (greater than the wave amplitude) of particle trajectories are found in the vicinity of steering lines that lie in the horizontal plane of motion, particularly when the background shear vanishes locally. Monochromatic waves produce pathways with simple periodic meandering, whereas a superposition of two waves results in chaotic parcel behavior, consistent with a number of earlier studies based on kinematic models. By identifying the steering surface, the surface on which the particle speed matches the speed of a propagating meander, as the site for preferential exchange, a mixing geom.
Digital connectedness and exports upgrading: Is sub‐Saharan Africa catching up?

We highlight a new dimension of the submarine cable infrastructure network, termed ‘digital connectedness’, reflecting a country's digital proximity to main world markets and assess its impact on export upgrading. Using an instrumental variables approach conducted on a sample of 60 developing countries—including 23 sub‐Saharan African countries—over the period 1995–2017, we find that digital connectedness contributes positively and significantly to the export basket complexity but also points out spatial heterogeneity within our sample. In fact, estimations stress that compared to the Rest of the World, a 10 pp increase in the share of world GDP directly cabled to SSA countries leads to a supplementary increase ranging from 4.6 index points to 5.3 index points in the export complexity index. Moreover, while everywhere else the positive effect of digital connectedness declines with distance from global markets, in sub‐Saharan Africa the benefit increases. Finally, in line with the literature, improved digital connectedness also translates into higher exports of differentiated goods and greater participation in the global value chain.
Relationship between 3-meter backward walk test and grip strength test in community-dwelling older adults

Introduction: The 3-Meter Backward Walk Test (3-MBWT) is an important assessment tool used in evaluating neuromuscular control, proprioception, risk of fall and balance. On the other hand, the Hand Grip Strength (HGS) test primarily is used to measure muscular strength or maximum tension generated by one’s forearm muscles. This study aimed to assess the relationship between 3-MBWT and HGS among community-dwelling young older adults. Material and methods: Sixty-two community-dwelling older adults participated in this study. 3-MBWT was measured using a standardized procedure. HGS was measured in line with the guidelines of the American Society of Hand Therapists. Anthropometric variables were assessed following standard procedures. Pearson’s correlation coefficient was used to verify the correlation between 3-MBWT and HGS and the influence of socio-demographic factors on both 3-MBWT and HGS. Results: The mean values for 3-MBWT and HGS were 3.45 ± 0.80s and 29.58 ± 15.53kg. There was a significant correlation between 3-MBWT and HGS (r = –0.39; p = 0.002). However, there was no significant correlation between 3-MBWT and socio-demographics (p > 0.05). Similarly, there was no significant correlation between HGS and socio-demographics (p > 0.05), except height (r = 0.51, p < 0.001). Conclusions: The 3-MBWT and HGS were significantly correlated with one another. Anthropometric characteristics did not influence the 3-MBWT. Only height and sex showed a significant influence on HGS. Therefore, both 3-MBWT and HGS may serve as useful functional outcome measures for fall predictability and frailty in older adults.
China's organic revolution.

China is at the onset of an organic agriculture revolution. From 2000 to 2006, China has moved from 45th to 2nd position in the world in number of hectares under organic management. China now has more land under organic horticulture than any other country. In the year 2005/2006, China added 12% to the world’s organic area. This accounted for 63% of the world’s annual increase in organic land, and China now has 11% of the world’s organically managed land. The antecedents to China’s Organic Revolution are examined, and reveal further growth potential in the Chinese organic sector. Longitudinal analysis of China’s food production statistics reveals explosive growth, and the consequent capacity for export has implications for food exporting nations. China has adopted an innovative path, via Green Food, towards achieving an organic future. This transition strategy may be a model for other countries seeking a rapid expansion of organics. Food exporting countries can expect in future to have their chemi-agricultural produce competing with certified organic produce of China.