Miracle-dz/UniFAR-FTUs huggingface dataset:
Computational nanofluidics for the study of biomolecular flows

Nanotechnology and biology are two areas of scientific resea rch where recent progress has disclosed a variety of new perspectives. The ad vances in both fields prepared the grounds for interdisciplinary studies and rec ent findings promise novel applications that could lead to a technological revol uti n in medicine. In particular the advent of carbon nanotubes (CNTs) gave rise t o peculations on future applications. CNTs are tubular carbon molecules which can be imagined to function as nanometer size pipes and pores. In this respect, th y could mimic transmembrane pores and channels and they could be used to manipul ate the transport across the membranes of cells and cellular organelles. Spec ifically, CNT based nanopores are envisioned to transport biomolecules across ellular membranes for biomedical purposes. In this thesis we assess the viability of transmembrane RNA transport through CNT nanopores. Life on earth has evolved in an environment that is character ized by the presence of water. Consequently, biological systems such as cells an d their cytoplasm consist, to a large percentage, of water. The interaction of tra nsmembrane pores with water will be highly influential to their transport properti s. To assess the viability of transmembrane pores based on CNTs, it is therefore mandat ory to understand their interaction with aqueous solutions. Throughout the first part of this thesis we study the water car bon interaction in detail. In an initial study we assess the interaction betwee n water and benzene and between water and naphthalene using a quantum mechanica l pproach. We compare and evaluate different correction schemes for dens ity functionals and we recommend a correction scheme to be used in future studies. Due to the limitations of quantum mechanical methods to smal l systems we then focus on molecular dynamics simulations. After an introduc tion to molecular dynamics we present a methodological advancement to steered m ol cular dynamics. In molecular dynamics simulations the interactions betwee n particles are modeled using empirical interaction potentials. This reduces the c omputational cost significantly and allows to simulate systems with several ten-t housand atoms. Due to the empirical nature of the interaction potentials, the m odel assumptions and simplifications need to be validated carefully to ensure the ir legitimacy.
Influence of thermal stratification and storms on acoustic telemetry detection efficiency: a year-long test in the US Southern Mid-Atlantic Bight

Background The detection efficiency of ultrasonic transmitters is seasonally variable, requiring long-term studies to evaluate key environmental features that mask, alter speed, bend, or reflect transmissions. The US Southern Mid-Atlantic Bight shelf is characterized by a strong summer thermocline capping remnant winter water, known as the Cold Pool, and a well-mixed water column in other seasons. To investigate the effects of interactions between temperature stratification and storm-induced noise on transmission detectability, we conducted a year-long range test of 69-kHz acoustic transmitters in the bottom waters of the US Southern Mid-Atlantic Bight. We used generalized additive models and cross-validation to develop and evaluate a predictive model of detection efficiency and visualize variability in detection distance throughout the year of deployment. Results The most-predictive model contained the effects of temperature stratification and ambient noise, predicting that stratification results in a 33% increase in detectability and 56% increase in detection distance. The model had an overall error rate of 17.1% and an 18.7% error at a distance of 800 m, predicting 17% detectability at median ambient noise when the water column was not stratified and > 50% when the difference between surface and bottom temperatures was greater than 4.2 °C. The distance at 50% detectability increased with the formation of the Cold Pool during spring, increasing by nearly 300 m over 3 days. All seasons were associated with storm-induced reductions in overall detectability and distance at 50% detectability. Conclusion Thermal stratification within the Southern Mid-Atlantic Bight increases bottom water ultrasonic transmitter detection distance and reduces the impact of surface noise. This effect leads to a seasonal increase in detection distance from the late-spring through the summer. To our knowledge, this study is the first to report and quantify an increase in detection range as a result of temperature stratification, likely due to placing transmitters and receivers on the same side of a strong thermocline.
A method of studying the formation of cracks in a material subjected to stress

A method is described to determine the onset of cracking in specimens of concrete subjected to tension or compression in mechanical testing machines. While the loads were being applied, measurements were made at intervals of the velocities of ultrasonic pulses passing through the test-piece in the axial and/or transverse directions. In compression, the velocity of the ultrasonic pulses in the direction of loading remained constant while the load was increased to failure, but in the transverse direction a fall in the velocity started at only a fraction of the ultimate load, and the velocity then decreased with increase of load. This indicated that cracking occurred internally parallel to the direction of loading. The load at which it started depended on the strength of the concrete and the uniformity of the stress distribution. In tension, fracture was preceded by only a very small, and often insignificant, amount of cracking which occurred at right angles to the direction of loading.
Physical and thermal mechanical properties of corn starch/LDPE composites

The potential of biodegradable polymers has long been recognized. In this work, composites of low density polyethylene (LDPE) and low density polyethylene/thermoplastic starch (LDPE/TPS) at different ratios of TPS (40%-60% w/w) were prepared in internal mixer. Polyethylene-grafted maleic anhydride (PE-g-MA) at 3 wt % was used as coupling agent. Chemical reactions between functional groups of composite components were studied and confirmed by Fourier transforms infrared (FTIR) spectroscopy. The morphology of film surfaces was studied using scanning electron microscopy. The physical, mechanical, and dynamic-mechanical thermal analyses of LDPE/TPS composites were evaluated. The FTIR results showed transmission peak at 1642 cm−1, which is the result of chemical reaction between the hydroxyl groups of starch and anhydride groups of coupling agent. This verifies the presence of the carboxylate group due to the formation of ester bonding. The results showed that the water absorption and density of composite films increased by increasing the starch content in LDPE/TPS composites. The tensile strength and elongation at break decreased by increasing the starch level in the composites, but the young's modulus increased. The morphological studies showed that the biodegradability of composites increased by increasing the starch content and the results was confirmed by weight loss in buring the samples in wet soil during time intervals. The dynamic mechanical thermal analyzer thermograms showed that there are two relaxation temperature peaks. The amplitude of peaks increased by increasing the starch content from 40 to 60% probably due to increasing amorphous phase of composite. The starch was uniformly distributed throughout the LDPE polymer matrix and compatible and biodegradable composites were formed. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Perpetual American Cancellable Standard Options in Models with Last Passage Times

We derive explicit solutions to the perpetual American cancellable standard put and call options in an extension of the Black–Merton–Scholes model. It is assumed that the contracts are cancelled at the last hitting times for the underlying asset price process of some constant upper or lower levels which are not stopping times with respect to the observable filtration. We show that the optimal exercise times are the first times at which the asset price reaches some lower or upper constant levels. The proof is based on the reduction of the original optimal stopping problems to the associated free-boundary problems and the solution of the latter problems by means of the smooth-fit conditions.
Reconsideration of the wavelength dependence of extinction: a γ-ray case

The wavelength dependence of extinction has been re-examined by means of new γ-ray diffraction data collected from NiF2 at 0.0205, 0.0265 and 0.0392 A. The standard model of extinction has been confirmed and substantiated by experimentally accessible parameters such as the intrinsic mosaic width. The predicted kinematic limit values are in accordance with the results from charge-density analyses. The model proposed by Mathieson & Stevenson [Acta Cryst. (2002), A58, 185–189] leads to a purely phenomenological polynomial fit function. The extrapolated values are shown to be inconsistent with structure analyses based on extended γ-ray data sets and cannot be recommended for use.
Nature’s contributions to people: coproducing quality of life from multifunctional landscapes

Nature's contributions to human well-being within social-ecological systems have been widely studied using multiple conceptual frameworks, yet there is a growing need to better articulate how both humans and nature contribute to quality of life. We present an operationalization of the Intergovernmental Platform on Biodiversity and Ecosystem Services (IPBES) conceptual framework with an in-depth analysis of the coproduction of nature's contributions to people (NCP) in a mountain social-ecological system. Based on a participatory process questioning stakeholders on nature's contributions to their quality of life, we propose an analysis of NCP coproduction mechanisms in a multifunctional landscape. We refine the consideration of NCP coproduction in the IPBES framework by distinguishing three coproduction types at different steps of the benefits flow from ecosystems to quality of life: (1) ecosystem management; (2) mobilization, harvesting, and physical access; and (3) appropriation, social access, and appreciation. For each of these coproduction types, we describe the types of natural and human-derived capital involved. This approach highlights: nature's key contributions to people as perceived by participants; landscape multifunctionality and interlinkages among NCP induced by their simultaneous coproduction to improve quality of life; and a gradient of natural and human-derived capital among coproduction types and among material, nonmaterial, and regulating NCP. This approach documents how NCP coproduction creates social-ecological trade-offs and synergies among multiple NCP, as well as collaborations and conflicts among beneficiaries at the landscape level. We conclude that the analysis of NCP coproduction can provide new opportunities for ecosystem services research by tackling the involvement of both humans and nature in quality of life objectives.
Evidence of Neuroplasticity Due to Acupuncture: An fNIRS Study

Background: Mild cognitive impairment (MCI) is a precursor to the critical disease known as Alzheimer’s. It is imperative to develop a proper treatment for this neurological disease in the aging society. This study investigates the effects of acupuncture therapy (AT) on MCI patients.Methods: Eleven healthy individuals and eleven MCI patients were recruited for this study. Oxy- and deoxy-hemoglobin signals in the prefrontal cortex during working-memory tasks were monitored using functional near-infrared spectroscopy. Before the AT, working-memory experiments were conducted for healthy control (HC) and MCI groups (MCI-0), followed by 24 sessions of AT for the MCI group. The AT sessions were initially carried out for six weeks (two sessions per week), after which experiments were performed again on the MCI group (MCI-1). This was followed by another set of AT sessions that also lasted for six weeks, after which the experiments were repeated again on the MCI group (MCI-2). Statistical analyses of the signals and classifications based on activation maps as well as temporal features were performed.Results: The highest classification accuracies obtained using binary connectivity maps were 85.7% HC vs. MCI-0, 69.5% HC vs. MCI-1, and 61.69% HC vs. MCI-2. The classification accuracies using the temporal features mean (i.e., mean(5:28 s)) and maximum (i.e., max(5:28 s)) values were 60.6% HC vs. MCI-0, 56.9% HC vs. MCI-1, and 56.4% HC vs. MCI-2. Conclusions: The results reveal that there was a change in the temporal characteristics of the hemodynamic response of MCI patients due to acupuncture. This was reflected by a reduction in the classification accuracy after the therapy, indicating that the patients’ brain response improved and became comparable to those of healthy subjects. Similar trend was reflected in the classification using image feature. These results indicate that acupuncture can be used for the treatment of MCI patients.Trial registration: Clinical research and information service (CRIS), KCT 0002451, Registered 05 September 2017, https://cris.nih. go.kr/cris/en/
Therapeutic Role of Dipeptidyl Peptidase-4 Inhibitors in COVID-19

Background: Limited retrospective data suggest that dipeptidyl peptidase-4 (DPP-4) inhibitors such as sitagliptin may decrease mortality in patients with type 2 diabetes hospitalized with coronavirus disease 2019 (COVID-19). Objective: To review the strength of evidence that supports possible therapeutic role of DPP-4 inhibitors in COVID-19. Methods: PUBMED search until October 10, 2020. Search terms included COVID-19, DPP-4 inhibitors, sitagliptin, CD26, mortality, diabetes. Retrospective studies, pertinent animal investigations and pre-print studies are reviewed. Results: Three retrospective studies have shown that use of DPP-4 inhibitors was associated with significant mortality reduction of approximately 56- 87% in patients with diabetes admitted with COVID-19. In addition, in one of these studies, the use of sitagliptin before hospitalization was associated with greater number of hospital discharges, improvement of clinical status, reduced risk of transfer to intensive care unit (ICU) and need for mechanical ventilation compared with patients who were not receiving sitagliptin. Moreover, there was significant decrease in some pro-inflammatory markers in the sitagliptin group. A small retrospective study of 9 patients who were taking a DPP-4 inhibitor prior to admission did not find any significant effect of DPP-4 inhibitors on mortality and clinical outcomes after hospitalization. Results of another small study suggested increase susceptibility to COVID-19, but not to its severity, in patients taking DPP-4 inhibitors. Conclusions: Weak evidence derived from observational studies suggests possible beneficial effects of DPP-4 inhibitors use in patients with type 2 diabetes and COVID-19. Randomized trials are urgently needed to clarify the efficacy and safety of DPP-4 inhibitors in patients with COVID-19 with and without type 2 diabetes
CORRELATION ANALYSIS OF DRINKING WATER QUALITY IN AND AROUND PERUR BLOCK OF COIMBATORE DISTRICT, TAMIL NADU, INDIA

Water is an elixir of life. It is an important component to human survival. Water should be purified for a better life style. It is the basic duty of every individual to conserve water resources. The present study attempts to bring an acute awareness among the people about the quality of ground water by taking water samples from specific locations for analysis. The experiment analyses its various Physico-chemical and biological parameters such as pH, Electrical Conductivity, TDS, TH, Ca 2+ , Mg 2+ , Cl , SO 4 2, Total Acidity, Total Alkalinity and DO etc., The results are compared with standards of WHO, USPH and ICMR. A systematic correlation and regression study showed significant linear relationship among different pairs of water quality parameters.
University of Southern Denmark Sex Differences in Coronary Computed Tomography Angiography–Derived Fractional Flow Reserve

ISS OBJECTIVES This study is to determine the management and clinical outcomes of patients investigated with coronary computed tomography angiography (CCTA)–derived fractional flow reserve (FFRCT) according to sex. BACKGROUND Women are underdiagnosed with conventional ischemia testing, have lower rates of obstructive coronary artery disease (CAD) at invasive coronary angiography (ICA), yet higher mortality compared to men. Whether FFRCT improves sex-based patient management decisions compared to CCTA alone is unknown. METHODS Subjects with symptoms and CAD on CCTA were enrolled (2015 to 2017). Demographics, symptom status, CCTA anatomy, coronary volume to myocardial mass ratio (V/M), lowest FFRCT values, and management plans were captured. Endpoints included reclassification rate between CCTA and FFRCT management plans, incidence of ICA demonstrating obstructive CAD ($50% stenosis) and revascularization rates. RESULTS A total of 4,737 patients (n 1⁄4 1,603 females, 33.8%) underwent CCTA and FFRCT. Women were older (age 68 10 years vs. 65 10 years; p < 0.0001) with more atypical symptoms (41.5% vs. 33.9%; p < 0.0001). Women had less obstructive CAD (65.4% vs. 74.7%; p < 0.0001) at CCTA, higher FFRCT (0.76 0.10 vs. 0.73 0.10; p < 0.0001), and lower likelihood of positive FFRCT # 0.80 for the same degree stenosis (p < 0.0001). A positive FFRCT #0.80 resulted in equal referral to ICA (n 1⁄4 510 [54.5%] vs. n 1⁄4 1,249 [56.5%]; p 1⁄4 0.31), but more nonobstructive CAD (n 1⁄4 208 [32.1%] vs. n 1⁄4 354 [24.5%]; p 1⁄4 0.0003) and less revascularization (n 1⁄4 294 [31.4%] vs. n 1⁄4 800 [36.2%]; p < 0.0001) in women, unless the FFRCT was #0.75 where revascularization rates were similar (n 1⁄4 253 [41.9%] vs. n 1⁄4 715 [46.4%]; p 1⁄4 0.06). Women have a higher V/M ratio (26.17 7.58 mm/ g vs. 24.76 7.22 mm/g; p < 0.0001) that is associated with higher FFRCT independent of degree stenosis (p < 0.001). Predictors of revascularization included stenosis severity, FFRCT, symptoms, and V/M ratio (p < 0.001) but not female sex (p 1⁄4 0.284). CONCLUSIONS FFRCT differs between the sexes, as women have a higher FFRCT for the same degree of stenosis. In FFRCT-positive CAD, women have less obstructive CAD at ICA and less revascularization, which is associated with higher V/M ratio. The findings suggest that CAD and FFRCT variations by sex need specific interpretation as these differences may affect therapeutic decision making and clinical outcomes. (Assessing Diagnostic Value of Non-invasive FFRCT in Coronary Care [ADVANCE]; NCT02499679) (J Am Coll Cardiol Img 2020;13:2576–87) © 2020 The Authors. Published by Elsevier on behalf of the American College of Cardiology Foundation. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). N 1936-878X https://doi.org/10.1016/j.jcmg. 2020.07. 008 AB BR E V I A T I O N S
Central Bank Digital Loonie: Canadian Cash for a New Global Economy

Global economic digitization continues to advance at exponential speed. This development is in sharp contrast to the financial sector and payment systems that still operate on legacy infrastructure that lacks the flexibility to serve those technology needs. Further, the emergence of Decentralized Finance demonstrates the capacity to disrupt the financial sector, impact national sovereignty, and affect established monetary transmission channels. Hence, it is no surprise that nation-states and tech-firms alike are now building new digital infrastructures that circumvent the legacy practices. Central banks, in particular, are racing to explore the issuance of Central Bank-issued Digital Currencies (CBDCs) in an attempt to rediscover the very essence and use of fiat cash. In the past decade, the Bank of Canada (BoC) has emerged as an international thought leader on CBDCs. In early 2020, the BoC issued a contingency plan for the potential introduction of a CBDC and later that spring ran a global competition among universities to sample arm length’s designs. Being a finalist in this competition, this manuscript presents a design proposal for a Central Bank Digital Loonie (CBDL) based on careful academic research of the possible technological, legal, and economic components of such an unprecedented and historic expedition. We propose a two-phased approach. In the first phase, the BoC introduces a centralized platform as a public-good infrastructure that establishes digital cash and ensures global/domestic interoperability. In this phase, e-KYC-based authentication leverages existing private/public sector solutions but also safeguards users' privacy/data against third-party commercial interests while complying with AML/CFT. In the second phase, the BoC will expand the platform to an enterprise-level permissioned blockchain. This shared resource will transform CBDLs into "programmable e-money" within a “social operating system” that will enable Canadians to operate, innovate, compete, and thrive in this new global digital economy.
Impact of saline stress on the uptake of various macro and micronutrients and their associations with plant biomass and root traits in wheat

The associations among ion uptake, root development and biomass under salt stress have not been fully understood. To study this, a pot experiment was conducted with the objective to determine the concentrations of sodium (Na), potassium (K), calcium (Ca), magnesium (Mg), zinc (Zn) and iron (Fe) and explore their associations with the biomass and root development by using eight wheat cultivars grown on control and salt stress treatments. About 6 folds increase Na+/K+ ratio in root, while 10 folds in the shoot were detected in salt stress compared to that for control. Ca, Mg, Zn concentrations in both root and shoot, and Fe concentration in the shoot were significantly changed by salt stress, except Fe concentration in the root. Principal component analysis revealed significant associations of these ions with the aboveground biomass and root traits. On salt stress treatment, the Na+/K+ ratio in shoot showed a significant negative correlation with root weight and aboveground biomass, while aboveground biomass correlated positively with lateral root length and root weight. A strategy towards manipulating the ion homeostasis, particularly Na+/K+, combined with selecting genotypes with better salt tolerance is of promise to alleviate the effects of salt stress.
Brief communication: CMIP6 does not suggest any atmospheric blocking increase in summer over Greenland by 2100

The Greenland blocking index (GBI), an indicator of the synoptic‐scale circulation over Greenland, has been anomalously positive during most summers since the late 1990s. Such changes in atmospheric circulation, favouring anticyclonic conditions, have led to an increase in Greenland summer temperatures, a decrease in cloud cover and larger surface melt. The GBI is therefore a key indicator of melting and surface mass balance variability over the Greenland ice sheet. However, the models of fifth phase of the Coupled Model Intercomparison Project (CMIP5) do not represent the increase in GBI that is suggested by recent observations, and do not project any significant increase in GBI until 2100. In this study, the new generation of CMIP6 Earth‐system models is evaluated in order to analyse the evolution of the future GBI. All CMIP5 and CMIP6 projections reveal the same trend towards a decrease of the GBI until 2100 and no model reproduces the strong increase in the persistence of summer blocking events observed over the last few decades. Significant melting events related to a highly positive GBI, as observed in summer 2019, are still not considered by CMIP6 models and therefore the projected surface melt increase of the ice sheet could be underestimated if such summer circulation changes persist in the next decades.