Enhancing Li+ recovery in brine mining: integrating next-gen emotional AI and explainable ML to predict adsorption energy in crown ether-based hierarchical nanomaterials.

Artificial intelligence (AI) is being employed in brine mining to enhance the extraction of lithium, vital for the manufacturing of lithium-ion batteries, through improved recovery efficiencies and the reduction of energy consumption. An innovative approach was proposed combining Emotional Neural Networks (ENN) and Random Forest (RF) algorithms to elucidate the adsorption energy (AE) (kcal mol-1) of Li+ ions by utilizing crown ether (CE)-incorporated honeycomb 2D nanomaterials. The screening and feature engineering analysis of honeycomb-patterned 2D materials and individual CE were conducted through Density Functional Theory (DFT) and Gaussian 16 simulations. The selected honeycomb-patterned 2D materials encompass graphene, silicene, and hexagonal boron nitride, while the specific CEs evaluated are 15-crown-5 and 18-crown-6. The crown-passivated 2D surfaces held a significant adsorption site through van der Waals forces for efficient recovery of Li+ ions. ENN predicted the targeted adsorption sites with high precision and minimal deviation. The eTAI (XAI) based Shapley Additive exPlanations (SHAP) was also explored for insight into the feature importance of CE embedded 2D nanomaterials for the recovery of Li+ ions. The extreme gradient boosting algorithm (XGBoost) model demonstrated a RT-2-MAPE = 0.4618% and ENN-2-MAPE = 0.4839% for the feature engineering analysis. This research would be an insight into the AI-driven nanotechnology that presents a viable and sustainable approach for the extraction of natural resources through the application of brine mining.

Highly Permeable Sulfonated Polydopamine Integrated MXene Membranes for Efficient Surfactant-Stabilized Oil-in-Water Separation.

MXene is an incredibly promising two-dimensional material with immense potential to serve as a high-performing separating or barrier layer to develop advanced membranes. Despite the significant progress made in MXene membranes, two major challenges still exist: (i) effectively stacking MXene nanosheets into defect-free membranes and (ii) the high fouling tendency of MXene-based membranes. To address these issues, we employed sulfonated polydopamine (SPD), which simultaneously serves as a binding agent to promote the compact assembling of Ti3C2Tx MXenes (MX) nanosheets and improves the antifouling properties of the resulting sulfonated polydopamine-functionalized MX (SPDMX) membranes. The SPDMX membrane was tested for challenging surfactant-stabilized oil-in-water separation with an impressive efficiency of 98%. Moreover, an ultrahigh permeability of 1620 LMH/bar was also achieved. The sulfonation of PD helps in improving the antifouling characteristics of SPDMX by developing a strong hydration layer and enhancing the oleophobicity of the membrane. The underwater SPDMX membrane appeared superoleophobic with an oil contact angle of 153°, whereas the ceramic membrane exhibited an oil contact angle of 137°. The SPDMX membranes showed an improved flux recovery (31%) compared to the nonsulfonated counterpart. This work highlights the appropriate functionalization of MXene as a promising approach to developing MXene membranes with high permeation flux and better antifouling characteristics for oily wastewater treatment.

Hemin-Modified Multi-Walled Carbon Nanotube-Incorporated PVDF Membranes: Computational and Experimental Studies on Oil-Water Emulsion Separations.

The separation of oil/water emulsions has attracted considerable attention for decades due to the negative environmental impacts brought by wastewater. Among the various membranes investigated for separation, polyvinylidene fluoride (PVDF) membranes have shown significant advantages of ease of fabrication, high selectivity, and fair pore distribution. However, PVDF membranes are hydrophobic and suffer from severe fouling resulting in substantial flux decline. Meanwhile, the incorporation of wettable substrates during fabrication has significantly impacted the membrane performance by lowering the fouling propensity. Herein, we report the fabrication of an iron-containing porphyrin (hemin)-modified multi-walled carbon nanotube incorporated PVDF membrane (HA-MWCNT) to enhance fouling resistance and the effective separation of oil-in-water emulsions. The fabricated membrane was thoroughly investigated using the FTIR, SEM, EDX, AFM, and contact angle (CA) analysis. The HA-MWCNT membrane exhibited a water CA of 62° ± 0.5 and excellent pure water permeance of 300.5 L/m2h at 3.0 bar (400% increment), in contrast to the pristine PVDF, which recorded a CA of 82° ± 0.8 and water permeance of 59.9 L/m2h. The hydrophilic HA-MWCNT membrane further showed an excellent oil rejection of >99% in the transmembrane pressure range of 0.5−2.5 bar and a superb flux recovery ratio (FRR) of 82%. Meanwhile, the classical molecular dynamics (MD) simulations revealed that the HA-MWCNT membrane had greater solvent-accessible pores, which enhanced water permeance while blocking the hydrocarbons. The incorporation of the hemin-modified MWCNT is thus an excellent strategy and could be adopted in the design of advanced membranes for oil/water separation.

Special wettable Azadirachta indica leaves like microarchitecture mesh filtration membrane produced by galvanic replacement reaction for layered oil/water separation.

The oil/water separation has received significant attention due to its critical environmental impact. The special wettable surfaces are highly desired to deal with the oil/water mixtures. This work demonstrates a simple two-step method to develop a superhydrophobic Azadirachta indica leaves like Ag-decorated electrochemically copper-coated stainless-steel mesh (SH-AIL-Ag-EC-Cu-Mesh) for efficient separation of oil/water mixtures. In the first step, the electrodeposition of the copper took place on the mesh surface at a suitable applied potential. In the second step, the galvanic replacement reaction between the Ag+ and electrodeposited Cu produced the fascinating superhydrophobic Ag leaves on the mesh surface. The SH-AIL-Ag-EC-Cu-Mesh was thoroughly characterized by the X-ray photoelectron spectroscopy (XPS), Energy Dispersive X-Ray Spectroscopy (EDX), elemental mapping, surface wettability analysis, and the contact analyzer. The morphological analysis has shown the unique leafy structures of the reduced Ag on the surface of the mesh. The XPS analysis has confirmed that most of the Ag present on the surface is in zerovalent form. The combination of the electrodeposition and the displacement reaction between the copper and the silver turned the surface superhydrophobic, and the water contact angle was significantly improved from 115° to 158°. The designed SH-AIL-Ag-EC-Cu-Mesh has shown excellent selectivity for oil in oil/water mixtures with a separation efficiency of 99.1% with an exceptionally high flux of 8963 L m-2h-1. The SH-AIL-Ag-EC-Cu-Mesh has shown excellent reusability, and after 15 cycles of separation, no significant decrease in the oil/water separation efficiency was observed.

Designing of nanotextured inorganic-organic hybrid PVDF membrane for efficient separation of the oil-in-water emulsions.

The separation of the emulsified oil/water is one of the critical environmental challenges. The PVDF membranes have been found helpful for separation, but rapid fouling makes them less attractive in treating oil-in-water emulsions. The design of antifouling membranes has become an area of deep interest. Herein, developing a novel modified PVDF ultrafiltration membrane was reported by doping the pyrrole and solidifying it in a ferric-containing coagulation bath, resulting in a unique nanotextured PVDF membrane (CCB-Fe/PPnp-PVDF) to separate the oil/water emulsions. The resultant CCB-Fe/PPnp-PVDF membrane was thoroughly characterized using the FTIR, FE-SEM, EDX, mapping, AFM, and contact analyzer. The hydrophilicity of the CCB-Fe/PPnp-PVDF was substantially improved, and the water contact angle was reduced from 81Ö¯ ± 0.9Ö¯ to 44Ö¯ ± 1.7Ö¯. The CCB-Fe/PPnp-PVDF membrane flux increased by 121% compared to the pristine PVDF membrane, with high separation efficiency of 99%. The hydrophilic nanotextured surface of the CCB-Fe/PPnp-PVDF membrane showed good antifouling behavior, with a flux recovery ratio (FRR) of more than 96%. Irreversible flux was just less than 4%. The high flux recovery ratio indicated that the nanotextured surface produced by the Fe/PPnp had prevented the blockage of the membrane pores and compact cake layer formation, which makes it an excellent membrane for oil/water emulsion separation. This strategy can be adopted for designing advanced membranes for separation applications.

Synthesis of a biomimetic zwitterionic pentapolymer to fabricate high-performance PVDF membranes for efficient separation of oil-in-water nano-emulsions.

Oily wastewater from industries has an adverse impact on the environment, human and aquatic life. Poly(vinylidene fluoride) (PVDF) membrane modified with a zwitterionic/hydrophobic pentapolymer (PP) with controlled pore size has been utilized to separate oil from water from their nano-emulsions. The PP has been synthesized in 91% yield via pentapolymerization of four different diallylamine salts [(CH2=CHCH2)2NH+(CH2)x A-], bearing CO2-, PO3H-, SO3-, (CH2)12NH2 pendants, and SO2 in a respective mol ratio of 25:36:25:14:100. Incorporating PP into PVDF has shown a substantially reduced membrane hydrophobicity; the contact angle decreased from 92.5° to 47.4°. The PP-PVDF membranes have demonstrated an excellent capability to deal with the high concentrations of nano-emulsions with a separation efficiency of greater than 97.5%. The flux recovery ratio (FRR) of PP-5 incorporated PVDF membrane was about 82%, which was substantially higher than the pristine PVDF.

Recent Progress in Microfiltration/Ultrafiltration Membranes for Separation of Oil and Water Emulsions.

Oily wastewater has become one of the leading causes of environmental pollution. A massive quantity of oily wastewater is released from industries, oil spills, and routine activities, endangering the ecosystem's sustainability. Due to the enormous negative impact, researchers put strenuous efforts into developing a sustainable solution to treat oily wastewater. Microfiltration/ultrafiltration membranes are considered an efficient solution to treat oily wastewater due to their low cost, small footprint, facile operation, and high separation efficiencies. However, membranes severely fouled during the separation process due to oil's adsorption and cake layer formation, which shortens the membranes' life. This review has critically discussed the microfiltration/ultrafiltration membrane synthesizing methods and their emulsion's separation performance. In the end, key challenges and their possible solutions are highlighted to provide future direction to synthesize next-generation membranes.

Photochemically Produced Superhydrophobic Silane@polystyrene-Coated Polypropylene Fibrous Network for Oil/Water Separation.

Cost-effective separation of oil and immiscible organic contaminants from water has become an urgent challenge to protect aquatic and human life from devastating effects. Therefore, it has become imperative to develop super-selective materials for efficiently separating oil from water. In this work, a superhydrophobic surface has been formed that consists of a silane@polystyrene-coated polypropylene fibrous network (silane@PS-PPF) for efficient separation of accidentally spilled oil from water. The superhydrophobic PPFs were designed by a simple, cost-effective two-step process that includes photochemically controlled polymerization of styrene and subsequent dip coating in octadecyltrichlorosilane solution. The hydrophobic surface (CA=129°±4°) of the PS coated PPF after treating with silane was turned into a superhydrophobic body (CA=161°±2°). The achieved silane@PS-PPF fibrous network selectively allowed the fast permeation of the oils and non-polar organic liquids by altogether rejecting water during operation. The separation efficiency for various oils from the contaminated water was 96 to 99%, with a high flux in the range of 7606±312 L m-2 h-1 to 9870±151 L m-2 h-1 . Apart from being used as a filter, the silane@PS-PPF was also used as an oil absorber and has shown an absorption capacity in the range of 1185 to 1535% for various oils. We anticipate that the developed silane@PS-PPF, due to its facile synthetic route, cost-effectiveness, and high performance, can be effectively used in oily wastewater treatment and clean-up of large oil spills from water.

A flexible biomimetic superhydrophobic and superoleophilic 3D macroporous polymer-based robust network for the efficient separation of oil-contaminated water.

The development of stable 3D surfaces for oil/water separation has been of great interest to researchers. Inspired by the lotus leaf, in this study, a superhydrophobic stable and robust surface was generated by the combination of n-octadecyltrichlorosilane, silica, polypyrrole and polyurethane (ODTCS-SiO2-PP-PU). The constructed 3D network displayed superhydrophobic and superoleophilic behavior with a high water contact angle of 154.7° ± 0.8°. The superhydrophobic behavior of the porous material was found to be stable for months. Apart from the hydrophobicity analysis of the material, the various forms of the materials were investigated via scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and energy-dispersive X-ray spectroscopy (EDX). Under the force of gravity, hexane displayed an exceptionally high flux of 102 068 Lm-2 h-1 through ODTCS-SiO2-PP-PU. The macroporous network of ODTCS-SiO2-PP-PU displayed fewer chances of fouling, which is a common issue with membranes. Moreover, its porous network displayed good absorption capacity for various non-polar organic solvents. The maximum absorption capacity observed for toluene was 34 times its own weight. The separation efficiency of various non-polar organic solvents from water was observed in the range of 99.5 to 99.8%. ODTCS-SiO2-PP-PU, due to its superhydrophobicity, 3D porous network, extraordinarily high flux, good absorption capacity, and excellent separation capability, has been established as a good candidate for the separation of organic and oil contaminants from water.

Superhydrophobic Polypropylene Functionalized with Nanoparticles for Efficient Fast Static and Dynamic Separation of Spilled Oil from Water.

Frequent oil spills not only threaten the ecosystem, but they are also a waste of a valuable source of energy. There is an urgent need to develop materials that can readily remove spilled oil from water bodies and also have the capacity to collect it for energy applications. Herein, a superhydrophobic fiber of functionalized polypropylene is engineered with the help of palmitic acid interaction with incorporated copper oxide nanoparticles. The successful development of functionalized polypropylene is confirmed by Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, and energy-dispersive X-ray spectroscopy. The scanning electron microscopy images reveal that the surface roughness of the polypropylene is enhanced after functionalization. The optimized functionalized polypropylene displays an ultrahydrophobic surface with a water contact angle of 162.42°. The functionalized polyprolyene displays good absorption capacity. It has the capacity to take 30 to 40 times its own weight in oils and nonpolar organic solvents, which makes it useful for small spills. With a flux of 11 204 Lm-2 h-1, functionalized polypropylene is as an ideal material for the dynamic separation of oil spills from water. It also has excellent selectivity towards oil, water rejection, and oil absorption capacity.

Potent In Vitro and In Vivo Anticancer Activity of New Bipyridine and Bipyrimidine Gold (III) Dithiocarbamate Derivatives.

We synthesized eight new bipyridine and bipyrimidine gold (III) dithiocarbamate-containing complexes (C1-C8) and tested them in a panel of human cancer cell lines. We used osteosarcoma (MG-63), lung (A549), prostate (PC3 and DU145), breast (MCF-7), ovarian (A2780 and A2780cis, cisplatin- and doxorubicin-resistant), and cervical (ME-180 and R-ME-180, cisplatin resistant) cancer cell lines. We found that C2, C3, C6, and C7 were more cytotoxic than cisplatin in all cell lines tested and overcame cisplatin and doxorubicin resistance in A2780cis and R-ME-180 cells. In the PC3 prostate cancer cell line, the gold (III) complex C6 ([Au2(BPM)(DMDTC)2]Cl4) induced apoptosis and double-stranded DNA breaks, modified cell cycle phases, increased Reactive Oxigen Species (ROS) generation, and reduced thioredoxin reductase and proteasome activities. It inhibited PC3 cell migration and was more cytotoxic against PC3 cells than normal human adipose-derived stromal cells. In mice bearing PC3 tumor xenografts, C6 reduced tumor growth by more than 70% without causing weight loss. Altogether, our results demonstrate the anticancer activity of these new gold (III) complexes and support the potential of C6 as a new agent for prostate cancer treatment.

Fabrication and performance evaluation of blood compatible hemodialysis membrane using carboxylic multiwall carbon nanotubes and low molecular weight polyvinylpyrrolidone based nanocomposites.

This study focused to optimize the performance of polyethersulfone (PES) hemodialysis (HD) membrane using carboxylic functionalized multiwall carbon nanotubes (c-MWCNT) and lower molecular weight grade of polyvinylpyrrolidone (PVP-k30). Initially, MWCNT were chemically functionalized by acid treatment and nanocomposites (NCs) of PVP-k30 and c-MWCNT were formed and subsequently blended with PES polymer. The spectra of FTIR of the HD membranes revealed that NCs has strong hydrogen bonding and their addition to PES polymer improved the capillary system of membranes as confirmed by Field Emission Scanning Electron Microscope (FESEM) and leaching of the additive decreased to 2% and hydrophilicity improved to 22%. The pore size and porosity of NCs were also enhanced and rejection rate was achieved in the establish dialysis range (<60 kDa). The antifouling studies had shown that NCs membrane exhibited 30% less adhesion of protein with 80% flux recovery ratio. The blood compatibility assessment disclosed that NCs based membranes showed prolonged thrombin and prothrombin clotting times, lessened production of fibrinogen cluster, and greatly suppressed adhesion of blood plasma than a pristine PES membrane. The results also unveiled that PVP-k30/NCs improved the surface properties of the membrane and the urea and creatinine removal increased to 72% and 75% than pure PES membranes. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 107A: 513-525, 2019.

Natural-Light-Initiated 3D Macro Zigzag Architecture of Graphene-Reinforced Polystyrene for Gravity-Driven Oil and Water Separation.

Superhydrophobic 3D robust materials are introduced for the separation of hexane and water. For the first time, novel 3D zigzag polystyrene on graphene-incorporated polyurethane (3D zz-PS/GR/PU) is prepared using exclusively natural sunlight without any chemical initiator. The zigzag polystyrene growth is accomplished by polymerizing the styrene vapors. The natural sunlight provides a compact 3D zz-PS/GR/PU material with superoleophilic and hydrophobic channels that allow for the rapid passage of oil, whereas water is entirely prevented from passing. The 3D zz-PS/GR/PU compact channels are transformed into the compressible material by treating them with toluene without affecting the hydrophobicity of the material. The 3D zz-PS/GR/PU displays a high-water contact angle of approximately 150°. The developed materials are characterized by FTIR, SEM, and BET. The graphene incorporation makes surface area of the 3D zz-PS/GR/PU substantially large compared with PU. It is improved from 15 to 67 m2 g-1. The pore size of the adsorption and desorption in the 3D zz-PS/GR/PU is also reduced from 354 and 352 Å to 34 and 33 Å. The 3D zz-PS/GR/PU satisfies the requirement of high-demanding superhydrophobic materials, like a low-cost fabrication process, reusability, and tunability. This strategy can trigger large-scale production with a controlled morphology.

Physician-reported reasons for limited follow-up of patients with a positive fecal occult blood test screening result.

OBJECTIVE: Fecal occult blood testing (FOBT) screening can reduce colorectal cancer (CRC) mortality when patients with an abnormal result [FOBT(+)] undergo a complete diagnostic evaluation (colonoscopy or double-contrast barium enema with or without flexible sigmoidoscopy). The aim of this study was to determine common reasons for nonperformance of a complete diagnostic evaluation. METHODS: We identified 544 FOBT(+) patients, aged 50 yr or older, who had participated in a managed care organization-sponsored CRC screening program. The performance of a complete diagnostic evaluation was determined from a patient-specific follow-up form and managed care organization claims data. Physicians were asked to report whether patients submitted to a complete diagnostic evaluation. When an evaluation was not done, the physicians were also asked to state the reasons for nonperformance. RESULTS: A total of 248 (46%) patients did not undergo a complete diagnostic evaluation. Physicians provided reasons for nonperformance for 50% (123/248). Factors accounting for nonperformance of a complete diagnostic evaluation were classified as follows: primary care physician decision (50%); specialist decision (28%); patient decision (17%); and other (practice-related) (5%). Many failures to complete an appropriate diagnostic evaluation were due to providers deciding to repeat the FOBT, perform a sigmoidoscopy, or not to proceed with any further testing. CONCLUSION: Many patients with a positive FOBT do not receive a complete diagnostic evaluation. The reasons for nonperformance most frequently have to do with physician decision making. Many physician-related explanations do not conform to expert recommendations for appropriate follow-up.