Artificial intelligence for the prevention and prediction of colorectal neoplasms.

BACKGROUND: Colonoscopy is a useful as a cancer screening test. However, in countries with limited medical resources, there are restrictions on the widespread use of endoscopy. Non-invasive screening methods to determine whether a patient requires a colonoscopy are thus desired. Here, we investigated whether artificial intelligence (AI) can predict colorectal neoplasia. METHODS: We used data from physical exams and blood analyses to determine the incidence of colorectal polyp. However, these features exhibit highly overlapping classes. The use of a kernel density estimator (KDE)-based transformation improved the separability of both classes. RESULTS: Along with an adequate polyp size threshold, the optimal machine learning (ML) models' performance provided 0.37 and 0.39 Matthews correlation coefficient (MCC) for the datasets of men and women, respectively. The models exhibit a higher discrimination than fecal occult blood test with 0.047 and 0.074 MCC for men and women, respectively. CONCLUSION: The ML model can be chosen according to the desired polyp size discrimination threshold, may suggest further colorectal screening, and possible adenoma size. The KDE feature transformation could serve to score each biomarker and background factors (health lifestyles) to suggest measures to be taken against colorectal adenoma growth. All the information that the AI model provides can lower the workload for healthcare providers and be implemented in health care systems with scarce resources. Furthermore, risk stratification may help us to optimize the efficiency of resources for screening colonoscopy.

Development and Optimization of Water-Soluble Double-Walled Carbon Nanotubes by Effective Surface Treatment of Inner Walls.

Carbon nanotubes are a significant class of nanomaterials with distinctive properties that have led to their application in a variety of fields, such as polymer composites, medicine, electronics, and material science. However, their nonpolar nature and insolubility in polar solvents limit their applications. To address this issue, highly functionalized and water-soluble double-walled carbon nanotubes (DWNTs) were developed by selectively oxidizing the inner walls of the DWNTs using oleum and nitric acid. The impact of reaction time on the chemical functionalization of DWNTs was investigated under two different reaction durations of 2 and 24 h. The presence of highly oxygenated functional groups resulted in high water solubility, which was confirmed by high- and low-frequency Raman spectroscopy, high-resolution transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) method, and optical spectroscopy. The conductivity of highly water-soluble W-DWNTs (24 h) was 122.65 × 102 S cm-1. After annealing for 12 h at 140 °C, the W-DWNTs retained 72% of their conductivity (88.79 × 102 S cm-1).

A finger-jointing model for describing ultrastructures of cellulose microfibrils.

In this paper, we propose a finger-jointing model to describe the possible ultrastructures of cellulose microfibrils based on new observations obtained through heating of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) oxidized cellulose nanofibrils (CNFs) in saturated water vapor. We heated the micrometers-long TEMPO-CNFs in saturated water vapor (≥ 120 °C, ≥ 0.2 MPa) and observed a surprising fact that the long TEMPO-CNFs unzipped into short (100 s of nanometers long) fibers. We characterized the heated TEMPO-CNFs using X-ray diffraction (XRD) and observed the XRD patterns were in consistent with Iß. We observed also jointed ultrastructures on the heated TEMPO-CNFs via high-resolution transmission electron microscopy (HR-TEM). Thus we concluded that cellulose microfibrils are not seamlessly long structures, but serial jointed structures of shorter blocks. Polysaccharide chains of the short blocks organized in Iß. The jointed region can be either Iα or amorphous, depending on positions and distances among the chains jointed in proximity. Under heating, Iα was not converted into Iß but was simply destroyed. The jointed structure implies a "working and resting rhythm" in the biosynthesis of cellulose.

Thermodynamics of Linear Carbon Chains.

Linear carbon chains (LCCs) are one-dimensional materials with unique properties, including high Debye temperatures and restricted selection rules for phonon interactions. Consequently, their Raman C-band frequency's temperature dependence is a probe to their thermal properties, which are well described within the Debye formalism even at room temperatures. Therefore, with the basis on a semiempirical approach we show how to use the C band to evaluate the LCCs' internal energy, heat capacity, coefficient of thermal expansion, thermal strain, and Grüneisen parameter, providing universal relations for these quantities in terms of the number of carbons atoms and the temperature.

Aerogels from copper (II)-cellulose nanofibers and carbon nanotubes as absorbents for the elimination of toxic gases from air.

A novel deodorizer that is capable of selectively eliminating the odorous chemicals, such as ammonia, trimethylamine, hydrogen sulfide and methyl mercaptan, is described. The deodorizer is a nanostructured aerogel by nature, consisting of 2,2-6,6-tetramethylpiperidine-1-oxyl (TEMPO) oxidized cellulose nanofibrils (CNF), transition metal divalent cations (M2+), and multi-walled carbon nanotubes (CNT) as the constitutive elements. CNF are firstly mixed with M2+ (M2+, in this paper, typifies Ni2+, Co2+ and Cu2+) to form CNF-M2+ complexes, monodispersed CNT is then mixed to prepare CNT/CNF-M2+ waterborne slurries; CNT/CNF-M2+ hybridized aerogels are finally obtained via freezing-drying of the CNT/CNF-M2+ waterborne slurries. The CNT/CNF-M2+ aerogels are a foam-like structure consisting of CNF and CNT as backbones and M2+ as linkers. The aerogels show higher capabilities (in comparison with activated carbon) for selectively adsorbing ammonia, trimethylamine, hydrogen sulfide and methyl mercaptan. Computing simulations suggest a theoretical conclusion that the odorous chemicals are absorbed in a preferring manner of bimolecular absorptions via the M2+ moieties. The CNT/CNF-M2+ hybridized aerogels are lightweight, eco-friendly, and easy to produce in industrial scales. Our new finding, as is described in this paper, demonstrates potential applications of the TEMPO-oxidized CNF to the field of deodorizations.

Single-atom doping of MoS2 with manganese enables ultrasensitive detection of dopamine: Experimental and computational approach.

Two-dimensional transition metal dichalcogenides (TMDs) emerged as a promising platform to construct sensitive biosensors. We report an ultrasensitive electrochemical dopamine sensor based on manganese-doped MoS2 synthesized via a scalable two-step approach (with Mn ~2.15 atomic %). Selective dopamine detection is achieved with a detection limit of 50 pM in buffer solution, 5 nM in 10% serum, and 50 nM in artificial sweat. Density functional theory calculations and scanning transmission electron microscopy show that two types of Mn defects are dominant: Mn on top of a Mo atom (MntopMo) and Mn substituting a Mo atom (MnMo). At low dopamine concentrations, physisorption on MnMo dominates. At higher concentrations, dopamine chemisorbs on MntopMo, which is consistent with calculations of the dopamine binding energy (2.91 eV for MntopMo versus 0.65 eV for MnMo). Our results demonstrate that metal-doped layered materials, such as TMDs, constitute an emergent platform to construct ultrasensitive and tunable biosensors.

Nanocomposite desalination membranes made of aromatic polyamide with cellulose nanofibers: synthesis, performance, and water diffusion study.

Reverse osmosis membranes of aromatic polyamide (PA) reinforced with a crystalline cellulose nanofiber (CNF) were synthesized and their desalination performance was studied. Comparison with plain PA membranes shows that the addition of CNF reduced the matrix mobility resulting in a molecularly stiffer membrane because of the attractive forces between the surface of the CNFs and the PA matrix. Fourier transform-infrared spectroscopy and X-ray photoelectron spectroscopy results showed complex formation between the carboxy groups of the CNF surface and the m- phenylenediamine monomer in the CNF-PA composite. Molecular dynamics simulations showed that the CNF-PA had higher hydrophilicity which was key for the higher water permeability of the synthesized nanocomposite membrane. The CNF-PA reverse osmosis nanocomposite membranes also showed enhanced antifouling performance and improved chlorine resistance. Therefore, CNF shows great potential as a nanoreinforcing material towards the preparation of nanocomposite aromatic PA membranes with longer operation lifetime due to its antifouling and chlorine resistance properties.

Enhanced desalination performance in compacted carbon-based reverse osmosis membranes.

Reverse osmosis membranes typically suffer compaction during the initial stabilization stage due to the applied hydraulic pressure, altering the desalination performance. The elucidation of the underlying transformations during compaction is key for further development of new membranes and its deployment in real-world scenarios. Hydraulic compaction of amorphous carbon (a-C) based membranes under cross-flow operation for water purification and desalination has been observed experimentally, and analysed employing molecular dynamics simulations. The previous outstanding separation performance for carbon membranes, especially for the nitrogen-containing (a-C:N) type, has been studied during compaction using lab-scale cross-flow desalination membrane systems. Our results indicate that the high-water pressure induces an overall reduction in the interstitial spaces within the a-C structure. Remarkably, the compacted a-C:N membrane exhibits improved performance in salt rejection and water permeability, compared to the a-C based membrane. Our analysis shows that performance improvement can be related to the higher mechanical stability of the carbon structure due to the presence of nitrogen sites, which also promote water diffusion and permeability. These results show that a-C:N based membranes are a feasible alternative to conventional polymeric membranes.

Enhanced Antifouling Feed Spacer Made from a Carbon Nanotube-Polypropylene Nanocomposite.

Spacers are widely used in membrane technologies to reduce fouling and concentration polarization. Fouling can start from the spacer surface and grow, thereby reducing flux, selectivity, and operation lifetime. Fluorescein isothiocyanate labeled bovine serum albumin was used for fouling studies and observed during cross-flow filtration operation for up to 144 h. Here, we mixed carbon nanotubes (CNTs) and polypropylene (PP) to make a spacer with better antifouling than plain PP spacers. The fouling process was observed by scanning electron microscopy and monitored in situ by fluorescence microscopy. Molecular dynamics simulations show that bovine serum albumin has a lower interaction energy with the nanocomposite CNTs/PP spacer than with the plain PP. The findings are relevant for the development of spacers to improve the operation lifetime of membranes in filtration technologies.

Graphite Whiskers Derived from Waste Coffee Grounds Treated at High Temperature.

Graphite whiskers (GWs) are obtained from coffee grounds (CGs) treated at 2500 °C for 1 h in the presence of Ar gas at 1 atm. The majority of the GWs formed inside the CGs shell are rod-like with a conical tip with diameter and length in the range between 1 to 3 µm and 4 to 10 µm, respectively. At first, the carbon layer might be grown in a turbostratic manner, and then progressively graphitized at higher temperature. The strong G' peak intensity might be induced by the disclination of graphitized carbon layers.

New Insights in the Natural Organic Matter Fouling Mechanism of Polyamide and Nanocomposite Multiwalled Carbon Nanotubes-Polyamide Membranes.

Polyamide (PA) membranes comprise most of the reverse osmosis membranes currently used for desalination and water purification. However, their fouling mechanisms with natural organic matter (NOM) is still not completely understood. In this work, we studied three different types of PA membranes: a laboratory made PA, a commercial PA, and a multiwalled carbon nanotube (CNT-PA nanocomposite membrane during cross-flow measurements by NaCl solutions including NOM, humic acid (HA), or alginate, respectively). Molecular dynamic simulations were also used to understand the fouling process of NOM down to its molecular scale. Low molecular weight humic acid binds to the surface cavities on the PA structures that leads to irreversible adsorption induced by the high surface roughness. In addition, the larger alginate molecules show a different mechanism, due to their larger size and their ability to change shape from the globule type to the uncoiled state. Specifically, alginate molecules either bind through Ca2+ bridges or they uncoil and spread on the surface. This work shows that carbon nanotubes can help to decrease roughness and polymer mobility on the surfaces of the membranes at the molecular scale, which represents a novel method to design antifouling membranes.

Defect Engineering and Surface Functionalization of Nanocarbons for Metal-Free Catalysis.

With the advent of carbon nanotechnology, which initiated significant research efforts more than two decades ago, novel materials for energy harvesting and storage have emerged at an amazing pace. Nevertheless, some fundamental applications are still dominated by traditional materials, and it is especially evident in the case of catalysis, and environmental-related electrochemical reactions, where precious metals such as Pt and Ir are widely used. Several strategies are being explored for achieving competitive and feasible metal-free carbon nanomaterials, among which doping and defect engineering approaches within nanocarbons are recurrent and promising. Here, the most recent efforts regarding the control of doping and defects in carbon nanostructures for catalysis, and in particular for energy-related applications, are addressed. Finally, an overview of alternative proposals that can make a difference when enabling carbon nanomaterials as efficient and emerging catalysts is presented.

Nitrogen self-doped activated carbons via the direct activation of Samanea saman leaves for high energy density supercapacitors.

In this study, nitrogen self-doped activated carbons (ACs) obtained via the direct activation of Samanea saman green leaves (SSLs) for high energy density supercapacitors were investigated. The SSL-derived direct-activated carbons (hereinafter referred to SD-ACs) were synthesized by impregnating sodium hydroxide as an activating agent and heating up to 720 °C without a hydrothermal carbonization or pyrolysis step. The optimum condition was investigated by varying the weight ratio of raw SSLs to NaOH. Surpassing the ACs derived from the two-step convention method, SD-ACs showed superior properties, including a higher surface area (2930 m2 g-1), total pore volume (1.37 cm3 g-1) and nitrogen content (4.6 at%). Moreover, SD-ACs exhibited enhanced electrochemical properties with specific gravimetric and volumetric capacitances of 179 F g-1 and 88 F cm-3 in an organic electrolyte, respectively, a high capacitance retention of approximately 87% at a current density of 0.5 A g-1 and excellent cycling stability of 97.5% after 3000 cycles at a current density of 5 A g-1. Moreover, the potential window of the supercapacitor cell was extended to 3.5 V with a significantly enhanced energy density of up to 79 W h kg-1. These results demonstrate that the direct activation of nitrogen-enriched SSLs offers advantages in terms of simplicity, low-cost and sustainable synthetic route to achieve nitrogen self-doped ACs for high energy density supercapacitors, which exhibit superior properties to that of ACs prepared via the conventional method.

Preparation and electrochemical performance of nitrogen-enriched activated carbon derived from silkworm pupae waste.

In this study, nitrogen-enriched activated carbon from silkworm pupae waste (P-AC) was successfully prepared and its electrochemical performances in aqueous and organic electrolytes were investigated. Silkworm pupae waste is beneficial because it is a nitrogen-enriched, inexpensive, and locally available material. The preparation process includes hydrothermal treatment of the silkworm pupae waste at 200 °C, and chemical activation using zinc chloride at activation temperatures of 700, 800 and 900 °C (P700, P800, and P900, respectively). The nitrogen content in the P-ACs was approximately 3.8-6.4 at%, decreasing with activation temperature, while the surface area was approximately 1062-1267 m2 g-1, increasing with activation temperature. Compared to a commercial AC, the P-ACs show higher nitrogen content but lower surface area. Furthermore, the P800 exhibited superior specific capacitance (154.6 and 91.6 F g-1 in aqueous and organic electrolytes) compared to a commercial AC despite possessing smaller surface area. The high nitrogen content enhanced the pseudocapacitance and improved the electrical conductivity of the P-ACs. These properties were confirmed by relatively low series and charge transfer resistances, a capacity retention higher than 88% at a current density of 0.5 A g-1 and excellent cycling stability demonstrated by maintaining 97.6% of its capacitance after 3000 cycles. These results demonstrate that silkworm pupae waste is a viable source of nitrogen-enriched AC for application in supercapacitors.

Effect of boron doping on the electrical conductivity of metallicity-separated single walled carbon nanotubes.

We explored the effect of substitutional boron doping on the electrical conductivity of a metallicity-separated single walled carbon nanotube (SWCNT) assembly. Boron atoms were introduced into semiconducting (S)- and metallic (M)-SWCNT assemblies using high temperature thermal diffusion and the concentration of the doped boron atoms was controlled by the thermal treatment temperature. Depending on the conduction mechanism of the SWCNT assembly, both positive and negative effects upon boron incorporation are observed. For the S-SWCNT sheet, the electrical resistivity decreased by about 1 order on introduction of a small amount of boron atoms, due to the localized state for hopping conduction. In contrast, we observed an increase in the electrical resistivity on boron doping for M-SWCNTs. The pristine and boron doped metallic SWCNTs exhibited a tendency of decreasing electrical resistivity in the presence of an external magnetic field perpendicular to the film, which indicated two-dimensional weak localization behavior. A detailed analysis of the resistivity and the magnetoresistance implied that an increase in the inelastic scattering event at the doped boron site reduced the phase coherence length, leading to an increase in the electrical resistivity.

Effective Antiscaling Performance of Reverse-Osmosis Membranes Made of Carbon Nanotubes and Polyamide Nanocomposites.

The antiscaling properties of multiwalled carbon nanotube (MWCNT)-polyamide (PA) nanocomposite reverse-osmosis (RO) desalination membranes (MWCNT-PA membranes) were studied. An aqueous solution of calcium chloride (CaCl2) and sodium bicarbonate (NaHCO3) was used to precipitate in situ calcium carbonate (CaCO3) to emulate scaling. The MWCNT contents of the studied nanocomposite membranes prepared by interfacial polymerization ranged from 0 wt % (plain PA) to 25 wt %. The inorganic antiscaling performances were compared for the MWCNT-PA membranes to laboratory-made plain and commercial PA-based RO membranes. The scaling process on the membrane surface was monitored by fluorescence microscopy after labeling the scale with a fluorescent dye. The deposited scale on the MWCNT-PA membrane was less abundant and more easily detached by the shear stress under cross-flow compared to other membranes. Molecular dynamics simulations revealed that the attraction of Ca2+ ions was hindered by the interfacial water layer formed on the surface of the MWCNT-PA membrane. Together, our findings revealed that the observed outstanding antiscaling performance of MWCNT-PA membranes results from (i) a smooth surface morphology, (ii) a low surface charge, and (iii) the formation of an interfacial water layer. The MWCNT-PA membranes described herein are advantageous for water treatment.

Corrigendum: Nitrogen-doped porous carbon monoliths from polyacrylonitrile (PAN) and carbon nanotubes as electrodes for supercapacitors.

This corrects the article DOI: 10.1038/srep40259.

Antiorganic Fouling and Low-Protein Adhesion on Reverse-Osmosis Membranes Made of Carbon Nanotubes and Polyamide Nanocomposite.

We demonstrate efficient antifouling and low protein adhesion of multiwalled carbon nanotubes-polyamide nanocomposite (MWCNT-PA) reverse-osmosis (RO) membranes by combining experimental and theoretical studies using molecular dynamics (MD) simulations. Fluorescein isothiocyanate (FITC)-labeled bovine serum albumin (FITC-BSA) was used for the fouling studies. The fouling was observed in real time by using a crossflow system coupled to a fluorescence microscope. Notably, it was observed that BSA anchoring on the smooth MWCNT-PA membrane was considerably weaker than that of other commercial/laboratory-made plain PA membranes. The permeate flux reduction of the MWCNT-PA nanocomposite membranes by the addition of FITC-BSA was 15% of its original value, whereas those of laboratory-made plain PA and commercial membranes were much larger at 34%-50%. Computational MD simulations indicated that the presence of MWCNT in PA results in weaker interactions between the membrane surface and BSA molecule due to the formation of (i) a stiffer PA structure resulting in lower conformity of the molecular structure against BSA, (ii) a smoother surface morphology, and (iii) an increased hydrophilicity involving the formation of an interfacial water layer. These results are important for the design and development of promising antiorganic fouling RO membranes for water treatment.

Effective NaCl and dye rejection of hybrid graphene oxide/graphene layered membranes.

Carbon nanomaterials are robust and possess fascinating properties useful for separation technology applications, but their scalability and high salt rejection when in a strong cross flow for long periods of time remain challenging. Here, we present a graphene-based membrane that is prepared using a simple and environmentally friendly method by spray coating an aqueous dispersion of graphene oxide/few-layered graphene/deoxycholate. The membranes were robust enough to withstand strong cross-flow shear for a prolonged period (120 h) while maintaining NaCl rejection near 85% and 96% for an anionic dye. Experimental results and molecular dynamic simulations revealed that the presence of deoxycholate enhances NaCl rejection in these graphene-based membranes. In addition, these novel hybrid-layered membranes exhibit better chlorine resistance than pure graphene oxide membranes. The desalination performance and aggressive shear and chlorine resistance of these scalable graphene-based membranes are promising for use in practical water separation applications.