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1.
J Chem Phys ; 160(6)2024 Feb 14.
Article in English | MEDLINE | ID: mdl-38349632

ABSTRACT

Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much less clear. In particular, the addition of salt has been consistently reported to affect the solution's viscosity, but most modeling attempts fail to reproduce experimental data even at moderate salt concentrations. Here, we use an approach based on stochastic density functional theory, which accurately captures charge fluctuations and correlations. We derive a simple analytical expression for the viscosity correction in concentrated electrolytes, by directly linking it to the liquid's structure factor. Our prediction compares quantitatively to experimental data at all temperatures and all salt concentrations up to the saturation limit. This universal link between the microscopic structure and viscosity allows us to shed light on the nanoscale dynamics of water and ions under highly concentrated and correlated conditions.

6.
Faraday Discuss ; 246(0): 556-575, 2023 Oct 12.
Article in English | MEDLINE | ID: mdl-37449958

ABSTRACT

Ion transport through biological and solid-state nanochannels is known to be a highly noisy process. The power spectrum of current fluctuations is empirically known to scale like the inverse of frequency, following the long-standing yet poorly understood Hooge's law. Here, we report measurements of current fluctuations across nanometer-scale two-dimensional channels with different surface properties. The structure of fluctuations is found to depend on the channel's material. While in pristine channels current fluctuations scale like 1/f1+a with a = 0-0.5, the noise power spectrum of activated graphite channels displays different regimes depending on frequency. Based on these observations, we develop a theoretical formalism directly linking ion dynamics and current fluctuations. We predict that the noise power spectrum takes the form 1/f × Schannel(f), where 1/f fluctuations emerge in fluidic reservoirs on both sides of the channel and Schannel describes fluctuations inside it. Deviations to Hooge's law thus allow direct access to the ion transport dynamics of the channel - explaining the entire phenomenology observed in experiments on 2D nanochannels. Our results demonstrate how current fluctuations can be used to characterize nanoscale ion dynamics.

7.
J Chem Phys ; 158(16)2023 Apr 28.
Article in English | MEDLINE | ID: mdl-37093148

ABSTRACT

Nanofluidics, the field interested in flows at the smallest scales, has grown at a fast pace, reaching an ever finer control of fluidic and ionic transport at the molecular level. Until now, artificial pores are far from reaching the wealth of functionalities of biological channels that regulate sensory detection, biological transport, and neurostransmission-all while operating at energies comparable to thermal noise. Here, we argue that artificial ionic machines can be designed by harnessing the entire wealth of phenomena available at the nanoscales and exploiting techniques developed in various fields of physics. As they are generally based on solid-state nanopores, rather than soft membranes and proteins, they should, in particular, aim at taking advantage of their specific properties, such as their electronic structure or their ability to interact with light. These observations call for the design of new ways of probing nanofluidic systems. Nanofluidics is now at the crossroads, there are new avenues to build complex ionic machines, and this may allow to develop new functionalities inspired by nature.

8.
J Chem Phys ; 158(12): 124703, 2023 Mar 28.
Article in English | MEDLINE | ID: mdl-37003721

ABSTRACT

Ion transport measurements are widely used as an indirect probe for various properties of confined electrolytes. It is generally assumed that the ion concentration in a nanoscale channel is equal to the ion concentration in the macroscopic reservoirs it connects to, with deviations arising only in the presence of surface charges on the channel walls. Here, we show that this assumption may break down even in a neutral channel due to electrostatic correlations between the ions arising in the regime of interaction confinement, where Coulomb interactions are reinforced due to the presence of the channel walls. We focus on a one-dimensional channel geometry, where an exact evaluation of the electrolyte's partition function is possible with a transfer operator approach. Our exact solution reveals that in nanometer-scale channels, the ion concentration is generally lower than in reservoirs and depends continuously on the bulk salt concentration, in contrast to the conventional mean-field theory that predicts an abrupt filling transition. We develop a modified mean-field theory taking into account the presence of ion pairs that agrees quantitatively with the exact solution and provides predictions for experimentally relevant observables, such as the ionic conductivity. Our results will guide the interpretation of nanoscale ion transport measurements.

9.
J Chem Phys ; 157(11): 114703, 2022 Sep 21.
Article in English | MEDLINE | ID: mdl-36137776

ABSTRACT

The transport of fluids at the nanoscale is fundamental to manifold biological and industrial processes, ranging from neurotransmission to ultrafiltration. Yet, it is only recently that well-controlled channels with cross sections as small as a few molecular diameters became an experimental reality. When aqueous electrolytes are confined within such channels, the Coulomb interactions between the dissolved ions are reinforced due to dielectric contrast at the channel walls: We dub this effect "interaction confinement." Yet, no systematic way of computing these confined interactions has been proposed beyond the limiting cases of perfectly metallic or perfectly insulating channel walls. Here, we introduce a new formalism, based on the so-called surface response functions, that expresses the effective Coulomb interactions within a two-dimensional channel in terms of the wall's electronic structure, described to any desired level of precision. We use it to demonstrate that in few-nanometer-wide channels, the ionic interactions can be tuned by the wall material's screening length. We illustrate this approach by implementing these interactions in Brownian dynamics simulations of a strongly confined electrolyte and show that the resulting ionic conduction can be adjusted between Ohm's law and a Wien effect behavior. Our results provide a quantitative approach to tuning nanoscale ion transport through the electronic properties of the channel wall material.


Subject(s)
Electrolytes , Molecular Dynamics Simulation , Electrolytes/chemistry , Electronics , Ions/chemistry , Water/chemistry
10.
Science ; 373(6555): 687-691, 2021 08 06.
Article in English | MEDLINE | ID: mdl-34353953

ABSTRACT

Recent advances in nanofluidics have enabled the confinement of water down to a single molecular layer. Such monolayer electrolytes show promise in achieving bioinspired functionalities through molecular control of ion transport. However, the understanding of ion dynamics in these systems is still scarce. Here, we develop an analytical theory, backed up by molecular dynamics simulations, that predicts strongly nonlinear effects in ion transport across quasi-two-dimensional slits. We show that under an electric field, ions assemble into elongated clusters, whose slow dynamics result in hysteretic conduction. This phenomenon, known as the memristor effect, can be harnessed to build an elementary neuron. As a proof of concept, we carry out molecular simulations of two nanofluidic slits that reproduce the Hodgkin-Huxley model and observe spontaneous emission of voltage spikes characteristic of neuromorphic activity.

11.
Neuropsychol Rev ; 28(4): 507-508, 2018 Dec.
Article in English | MEDLINE | ID: mdl-30552551

ABSTRACT

The members of MTAC were removed from the author group and full list are shown in the Acknowledgements section. Also, members "Roee, A" and "Van Amselvoort, T" should be "Admon, R" and "Van Amelsvoort, T", respectively. The original article has been corrected.

12.
Environ Monit Assess ; 190(12): 724, 2018 Nov 14.
Article in English | MEDLINE | ID: mdl-30430268

ABSTRACT

Air inside poultry houses must be removed on a regular basis to prevent excess of heat, particles and noxious gases that can imperil animals. To cope with this issue, natural ventilation could be an effective method when assisted by accurate predictions. This study investigates air discharges caused by natural ventilation of a poultry house by means of a three-dimensional computational fluid dynamics (CFD) model. It solves the governing equations of momentum, heat and mass transport, radiative transfers and animal-generated heat. Wind directions of 0°, 36° and 56° (0° corresponds to a wind blowing perpendicular to the ridgeline) were investigated; the CFD model predictions achieved a RMSE of 1.2 °C and 0.6 g[H2O] kg-1 [dry air] for internal temperature and absolute humidity, respectively, when air blew with an angle of 36°. Air renewal rates (ARR) were 39.5 (± 1.9), 34.9 (± 2.2) and 33.6 (± 1.7) volumes of the building per hour, when air blew at 0°, 36° and 56°, respectively. Such ARR predictions served to know how the gases contained in air would likely spread downstream from the building in order to define regions of potentially high gas concentration that could endanger neighbouring habitable facilities.


Subject(s)
Environmental Monitoring/methods , Hydrodynamics , Wind , Animals , Gases/analysis , Poultry , Temperature , Ventilation
13.
Neuropsychol Rev ; 28(4): 496-506, 2018 12.
Article in English | MEDLINE | ID: mdl-30255220

ABSTRACT

The monetary incentive delay task breaks down reward processing into discrete stages for fMRI analysis. Here we look at anticipation of monetary gain and loss contrasted with neutral anticipation. We meta-analysed data from 15 original whole-brain group maps (n = 346) and report extensive areas of relative activation and deactivation throughout the whole brain. For both anticipation of gain and loss we report robust activation of the striatum, activation of key nodes of the putative salience network, including anterior cingulate and anterior insula, and more complex patterns of activation and deactivation in the central executive and default networks. On between-group comparison, we found significantly greater relative deactivation in the left inferior frontal gyrus associated with incentive valence. This meta-analysis provides a robust whole-brain map of a reward anticipation network in the healthy human brain.


Subject(s)
Anticipation, Psychological/physiology , Brain Mapping/statistics & numerical data , Magnetic Resonance Imaging , Motivation/physiology , Nerve Net/physiology , Reward , Humans
14.
Dis Colon Rectum ; 59(3): 165-72, 2016 Mar.
Article in English | MEDLINE | ID: mdl-26855389

ABSTRACT

BACKGROUND: In rectal cancer surgery, low anterior resection and abdominoperineal resection have equivocal impact on overall quality of life. A rectal cancer decision aid was developed to help patients weigh features of options and share their preference. OBJECTIVE: The aim of this study was to evaluate the effect of a patient decision aid for mid to low rectal cancer surgery on the patients' choice and decision-making process. DESIGN: A before-and-after study was conducted. Baseline data collection occurred after surgeon confirmation of eligibility at the first consultation. Patients used the patient decision aid at home (online and/or paper-based formats) and completed post questionnaires. SETTING: This study was conducted at an academic hospital referral center. PATIENTS: Adults who had rectal cancer at a maximum of 10 cm proximal to the anal verge and were amenable to surgical resection were considered. Those with preexisting stoma and those only receiving abdominoperineal resection for technical reasons were excluded from the study. INTERVENTION: Patient with rectal cancer were provided with a decision aid. MAIN OUTCOME MEASURES: The primary outcomes measured were decisional conflict, knowledge, and preference for a surgical option. RESULTS: Of 136 patients newly diagnosed with rectal cancer over 13 months, 44 (32.4%) were eligible, 36 (81.9%) of the eligible patients consented to participate, and 32 (88.9%) patients completed the study. The mean age of participants was 61.9 ± 9.7 years and tumor location was on average 7.3 ± 2.1 cm above the anal verge. Patients had poor baseline knowledge (52.5%), and their knowledge improved by 37.5% (p < 0.0001) after they used the patient decision aid. Decisional conflict was reduced by 24.2% (p = 0.0001). At baseline, no patients preferred a permanent stoma, and after decision aid exposure, 2 patients (7.1%) preferred permanent stoma. Over 96% of participants would recommend the patient decision aid to others. LIMITATIONS: This study was limited by the lack of control for potential confounders and potential response bias. CONCLUSIONS: The patient decision aid reduced decisional conflict and improved patient knowledge. Participants would recommend it to other patients with rectal cancer.


Subject(s)
Colorectal Surgery/psychology , Controlled Before-After Studies/methods , Decision Making , Decision Support Techniques , Patient Participation/psychology , Rectal Neoplasms/psychology , Adult , Aged , Aged, 80 and over , Female , Humans , Male , Middle Aged , Quality of Life , Rectal Neoplasms/surgery , Surveys and Questionnaires
15.
Water Sci Technol ; 63(6): 1314-20, 2011.
Article in English | MEDLINE | ID: mdl-21436573

ABSTRACT

Since 2001 the swine experimental station of Guernévez has studied biological treatment plants for nutrient recovery and water recycling, suited to the fresh liquid manure coming out of flushing systems. An integrated system with continuous recycling was set up in 2007, associated with a piggery of 30 pregnant sows. It includes a screen, a vermifilter, and macrophyte ponds alternating with constructed wetlands. The screen and the vermifilter had a lower removal efficiency than in previous studies on finishing pigs. A settling tank was then added between the vermifilter and the first lagoon to collect the worm casts. A second vermifilter was added to recover this particulate organic matter. A storage lagoon was added to compensate for evaporative losses and complete pollution abatement, with goldfish as a bioindicator of water quality. The removal efficiency of the whole system was over 90% for COD and nitrogen, over 70% for phosphorus and potassium, and more than 4 logarithmic units for pathogens (E. coli, enterococci, C perfringens). Plant production was about 20 T DM ha(-1) y(-1). Floating macrophytes (Azolla caroliniana, Eichhornia crassipes, Hydrocotyle vulgaris) were more concentrated in nutrients than helophytes (Phragmites australis, Glyceria aquatica,…). Azolla caroliniana was successfully added to feed finishing pigs.


Subject(s)
Housing, Animal , Recycling , Swine , Waste Disposal, Fluid/methods , Water Purification , Wetlands , Agriculture , Animals , Biomass , Oligochaeta
16.
Bioresour Technol ; 102(4): 3679-86, 2011 Feb.
Article in English | MEDLINE | ID: mdl-21185175

ABSTRACT

Treatment of liquid manure can result in the production of ammonia, nitrous oxide and methane. Earthworms mix and transform nitrogen and carbon without consuming additional energy. The objective of this paper is to analyse whether earthworms modify the emissions of NH(3), N(2)O, CH(4) and CO(2) during vermifiltration of pig slurry. The experiment used mesocosms of around 50 L, made from a vermifilter treating the diluted manure of a swine house. Three levels of slurry were added to the mesocosms, with or without earthworms, during one month, in triplicate. Earthworm abundance and gas emissions were measured three and five times, respectively. There was a decrease in emissions of ammonia and nitrous oxide and a sink of methane in treatments with earthworms. We suggest that earthworm abundance can be used as a bioindicator of low energy input, and low greenhouse gas and ammonia output in systems using fresh slurry with water recycling.


Subject(s)
Agriculture/methods , Gases/analysis , Manure , Waste Management/methods , Ammonia/chemistry , Animals , Biotechnology/methods , Fertilizers , Greenhouse Effect , Methane/chemistry , Nitrous Oxide/chemistry , Oligochaeta , Swine , Temperature , Time Factors
17.
Water Sci Technol ; 60(11): 3001-10, 2009.
Article in English | MEDLINE | ID: mdl-19934522

ABSTRACT

Rural sewage treatment is now paid more and more attention in China. Vermifiltration technology could be one of the practical options under the review of previous studies. It showed good removal rates of contaminants on small to pilot scales for short-term tests. However, the impacts of season, temperature or other unknown factors are usually not taken into account. In this study, a larger vermifilter was designed to treat the sewage on village scale for long-term operation. Filter material composition was optimized by a half year experimentation. The treatment effects of vermifiltration were also compared with traditional activated sludge process for the same influent sewage. The results showed that the designed vermifiltration system could continuously treat the sewage produced by more than 100 inhabitants per day. COD, BOD5 and SS concentration in outflow were rather stable despite the fluctuation of hydraulic loading rate and organic input during one year test. It can also remove N and P to some extent. A suspending design of vermifilter bed cause adequate oxygen content in outflow of vermifilter. The comparative test showed that the treatment efficacy of vermifiltration was similar as activated sludge process. Generally, this vermifiltration system has practical application value for village sewage treatment.


Subject(s)
Sewage , Waste Management/methods , Animals , China , Filtration , Humans , Hydrogen-Ion Concentration , Oligochaeta/physiology , Oxygen/analysis , Refuse Disposal/methods , Rural Population , Seasons , Sewage/analysis , Waste Disposal, Fluid/methods
18.
Mol Imaging ; 7(2): 59-67, 2008.
Article in English | MEDLINE | ID: mdl-18706288

ABSTRACT

Recent progress in molecular magnetic resonance imaging (MRI) provides the opportunity to image cells and cellular receptors using microparticles of iron oxide (MPIOs). However, imaging targets on vessel walls remains challenging owing to the quantity of contrast agents delivered to areas of interest under shear stress conditions. We evaluated ex vivo binding characteristics of a functional MRI contrast agent to ligand-induced binding sites (LIBSs) on activated glycoprotein IIb/IIIa receptors of human platelets, which were lining rupture-prone atherosclerotic plaques and could therefore facilitate detection of platelet-mediated pathology in atherothrombotic disease. MPIOs were conjugated to anti-LIBS single-chain antibodies (LIBS-MPIO) or control antibodies (control MPIO). Ex vivo binding to human platelet-rich clots in a dose-dependent manner was confirmed on a 3 T clinical MRI scanner and by histology (p < .05 for LIBS-MPIO vs control MPIO). By using a flow chamber setup, significant binding of LIBS-MPIO to a platelet matrix was observed under venous and arterial flow conditions, but not for control MPIO (p < .001). A newly generated MRI contrast agent detects activated human platelets at clinically relevant magnetic field strengths and binds to platelets under venous and arterial flow conditions, conveying high payloads of contrast to specific molecular targets. This may provide the opportunity to identify vulnerable, rupture-prone atherosclerotic plaques via noninvasive MRI.


Subject(s)
Blood Platelets/metabolism , Contrast Media/metabolism , Magnetic Resonance Imaging/methods , Platelet Glycoprotein GPIIb-IIIa Complex/metabolism , Antibodies/metabolism , Blood Flow Velocity , Ferric Compounds/metabolism , Humans , Particle Size , Platelet Activation
19.
Bioresour Technol ; 99(16): 7636-43, 2008 Nov.
Article in English | MEDLINE | ID: mdl-18346889

ABSTRACT

Long term composting induces loss of C and organic matter stabilisation. These two processes may have opposite effects on long term carbon storage in soils. To check whether raw materials should be composted or not before being spread on the soil, changes in particle size fractions were quantified during composting of 9 tons of sewage sludge and straw. Both the mass of the fine fraction (<2 microm) and the amount of carbon contained in it increased after seven months, respectively, +37% and +43%. The fine fraction contributes to carbon sequestration. A literature review supported the assumption that composting should increase long term C storage. Nevertheless, soil texture or agricultural practices modify the behaviour of this fraction. Thus, the fractionation method used for soils is relevant to predict the effect of composting as a mitigation option in greenhouse gas reduction strategies, but is not sufficient in itself.


Subject(s)
Humic Substances/analysis , Particulate Matter/chemistry , Refuse Disposal/methods , Sewage/chemistry , Soil , Aerobiosis , Agriculture , Carbon/analysis , Carbon/chemistry , Hydrogen-Ion Concentration , Particle Size , Time Factors , Triticum/microbiology
20.
Bioresour Technol ; 98(14): 2619-28, 2007 Oct.
Article in English | MEDLINE | ID: mdl-17350251

ABSTRACT

Composting allows simple management of animal manure but excessive aeration can increase emissions of polluting gases such as ammonia or nitrous oxide. The aim of the present work was to determine the effect of three techniques--turning, compacting and the addition of water--on gaseous emissions. One ton of cattle manure and 3 tons of turkey manure were composted in two and four cells for 46 and 51 days respectively. The manure was either turned, wetted, or compacted. Emissions of carbon dioxide, water vapor, ammonia and nitrous oxide were monitored. The results show that turning did not alter the free air space. Compacting can be used specifically to reduce the water loss. A reduction of free air space by 20-60%, either by compacting or adding water (or both), reduced the ammonia and nitrous oxide emissions by 30-70%.


Subject(s)
Gases/analysis , Manure/analysis , Refuse Disposal/methods , Water , Air , Ammonia/analysis , Animals , Carbon Dioxide/analysis , Cattle , Nitrous Oxide/analysis , Soil/analysis , Temperature , Turkeys
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