Artificial intelligence-based material discovery for clean energy future

Artificial intelligence (AI)-assisted materials design and discovery methods can come to the aid of global concerns for introducing new efficient materials in different applications. Also, a sustainable clean future requires a transition to a low-carbon economy that is material-intensive. AI-assisted methods advent as inexpensive and accelerated methods in the design of new materials for clean energies. Herein, the emerging research area of AI-assisted material discovery with a focus on developing clean energies is discussed. The applications, advantages, and challenges of using AI in material discovery are discussed and the future perspective of using AI in clean energy is studied. This perspective paves the way for a better understanding of the future of AI applications in clean energies

Harnessing the power of neural networks for the investigation of solar-driven membrane distillation systems under the dynamic operation mode

Accurate modeling of solar-driven direct contact membrane distillation systems (DCMD) can enhance the commercialization of these promising systems. However, the existing dynamic mathematical models for predicting the performance of these systems are complex and computationally expensive. This is due to the intermittent nature of solar energy and complex heat/mass transfer of different components of solar-driven DCMD systems (solar collectors, MD modules and storage tanks). This study applies a machine learning-based approach to model the dynamic nature of a solar-driven DCMD system for the first time. A small-scale rig was designed and fabricated to experimentally assess the performance of the system over 20 days. The predictive capabilities of two neural network models: multilayer perceptron (MLP) and long short-term memory (LSTM) were then comprehensively examined to predict the permeate flux, efficiency and gain-output-ratio (GOR). The results showed that both models can efficiently predict the dynamic performance of solar-driven DCMD systems, where MLP outperformed the LSTM model overall, especially in the prediction of efficiency. Additionally, it was indicated that the accuracy of the models for the prediction of GOR can be significantly improved by increasing the size of the dataset

Experimental investigation of temperature polarisation by capturing the temperature profile development over DCMD membranes

Temperature polarisation (TP) is a major drawback limiting the global acceptance of membrane distillation (MD) technology. TP is typically quantified using a dimensionless index known as Temperature Polarisation Coefficient (TPC). TPC has significant limitations, whereby it cannot be used to compare different MD configurations or design conditions, nor to analyse the TP phenomenon along the membrane. In this research, the temperature profile over and along a lengthy DCMD membrane has been measured under various operational conditions, where its impact on TP has been explored for the first time. A specialised DCMD membrane cell was manufactured to capture temperature profiles, both along and over the membrane surfaces, using miniature thermocouples. The effects of flow rate and feed temperature were investigated on the temperature profiles. The results showed that the extent of TP was not constant along the membrane, and that the temperature profile was not symmetrical across the feed and permeate side, predominantly due to the effects of the inlet and outlet on the flow. The TPC value calculated using the conventional method was not able to accurately reflect the TP phenomenon along the membrane, indicating TPC to be an ineffective tool to study TP along the membrane

Mechanism understanding of Li-ion separation using a perovskite-based membrane

Lithium ions play a crucial role in the energy storage industry. Finding suitable lithium-ion-conductive membranes is one of the important issues of energy storage studies. Hence, a perovskite-based membrane, Lithium Lanthanum Titanate (LLTO), was innovatively implemented in the presence and absence of solvents to precisely understand the mechanism of lithium ion separation. The ion-selective membrane’s mechanism and the perovskite-based membrane’s efficiency were investigated using Molecular Dynamic (MD) simulation. The results specified that the change in the ambient condition, pH, and temperature led to a shift in LLTO pore sizes. Based on the results, pH plays an undeniable role in facilitating lithium ion transmission through the membrane. It is noticeable that the hydrogen bond interaction between the ions and membrane led to an expanding pore size, from (1.07 Å) to (1.18 – 1.20 Å), successfully enriching lithium from seawater. However, this value in the absence of the solvent would have been 1.1 Å at 50 °C. It was found that increasing the temperature slightly impacted lithium extraction. The charge analysis exhibited that the trapping energies applied by the membrane to the first three ions (Li +, K +, and Na+) were more than the ions’ hydration energies. Therefore, Li +, K +, and Na + were fully dehydrated, whereas Mg2 + was partially dehydrated and could not pass through the membrane. Evaluating the membrane window diameter, and the combined effect of the three key parameters (barrier energy, hydration energy, and binding energy) illustrates that the required energy to transport Li ions through the membrane is higher than that for other monovalent cations

Culture of Dental Pulp Stem Cells on Nanoporous Alumina Substrates Modified by Carbon Nanotubes

Purpose: Alumina substrates are one of the commonly used scaffolds applied in cell culture, but in order to prevent formation of biofilm on the alumina substrate, these substrates are modified with carbon nanotube. Methods: The alumina substrate was made by a two-step anodization method and was then modified with carbon nanotubes by simple chemical reaction. The substrates were characterized with FTIR, SEM, EDX, 3D laser scanning digital microscope, contact angle (CA) and surface free energy (SFE). To determine how this modification influences the reduction of biofilm, biofilm of two various bacteria, Escherichia coli (E.coli) and Staphylococcus aureus (S. aureus), were investigated. Results: The biofilm on the modified substrate decreased due to the presence of carbon nanotubes and increased antibacterial properties. Dental pulp stem cells (DPSCs) were cultured onto flat alumina (FA) and nanoporous alumina-multiwalled carbon nanotubes (NAMC) substrates to examine how the chemical modification and surface topography affects growth of DPSCs. Conclusion: Cell attachment and proliferation were investigated with SEM and Presto Blue assay, and the findings show that the NAMC substrates are suitable for cell culture

Electro‐driven materials and processes for lithium recovery—A review

The mass production of lithium‐ion batteries and lithium‐rich e‐products that are required for electric vehicles, energy storage devices, and cloud‐connected electronics is driving an unprecedented demand for lithium resources. Current lithium production technologies, in which extraction and purification are typically achieved by hydrometallurgical routes, possess strong environmental impact but are also energy‐intensive and require extensive operational capabilities. The emergence of selective membrane materials and associated electro‐processes offers an avenue to reduce these energy and cost penalties and create more sustainable lithium production approaches. In this review, lithium recovery technologies are discussed considering the origin of the lithium, which can be primary sources such as minerals and brines or e‐waste sources generated from recycling of batteries and other e‐products. The relevance of electro‐membrane processes for selective lithium recovery is discussed as well as the potential and shortfalls of current electro-membrane methods

Metal-organic framework-based biosensing platforms for the sensitive determination of trace elements and heavy metals: A comprehensive review

Heavy metals in food and water sources are potentially harmful to humans. Determination of these pollutants is critical for improving safety. Effective recognition systems are a contemporary challenge; several novel technologies for the quick, easy, selective, and sensitive determination of these compounds are in demand. Metal-organic framework (MOF)-based sensors and biosensors have crucial applications in identifying these potentially harmful substances. Here, we review electrochemical and optical biosensors for in situ sensing that are sensitive and cost effective, with a simple protocol and wide linear range. Despite the abundance of articles in this field, we assessed and checked out various basic features of MOFs as porous compounds that include clusters or ions, and some of the ligands connected to these clusters have a variety of useful properties. Afterward, we also assessed various electrochemical and optical sensing assays, which have recently gathered interest because of their potential applications for recognizing certain compounds in the environment. Their operation and approaches are dependent on their structures, the materials and component types used, and the substances they are targeting

Harnessing the power of metal-organic frameworks to develop microplastic fouling resistant forward osmosis membranes

With the gradual increase of microplastics (MPs) in water and wastewater streams, it is imperative to investigate their removal using tertiary treatment systems to minimize and preferably prevent their entrance into aquatic environments. Forward osmosis (FO) is a non-pressurized membrane process with potential applications in MPs removal from wastewater. However, efficient application of FO systems relies on developing high-performance FO membranes with low fouling tendency. MPs are proven as emerging foulants in membrane systems, diminishing their performance and lifetime and this highlights the need to consider MP fouling in developing sustainable membranes. The current study focuses on a novel modification of thin film composite (TFC) FO membranes by MIL-53(Fe) as a water-stable and hydrophilic metal-organic framework. Experimental results demonstrated that the optimized FO membrane (0.2 wt% MIL-53(Fe)) achieved a significantly higher water flux (90% increase) with a 23% less reverse salt flux. The modified membrane also had significantly less flux decline in fouling experiments and higher flux recovery after physical cleaning compared to the control membrane affirming its higher antifouling efficiency. MIL-53(Fe) integration in the FO substrate proved to be a practical method for developing high-performance TFC FO membranes with improved antifouling properties against MPs and organic foulants

Various production and service models on small-scale of natural products as a new job opportunity for pharmacists.

Introduction: pharmacists' job opportunities in Iran are limited to the presence in the industry, pharmacy, hospital, research-centers and faculty of universities. The need of our community to the pharmacist is quantitatively 32 pharmacists per 100,000 people. Every year, 1000 pharmacists graduate in Iran; but there are not enough adequate employment opportunities for them. Given the huge costs of establishing and purchasing a pharmacy and a factory. Job opportunity for pharmacists should be created based on entrepreneurship principles. These opportunities can be defined in the format of designing knowledge-based models that are managed by the pharmacist. There are remarkable amounts of natural products required by healthcare providers on a small scale every day. Manufacturing these products is not cost-effective for a large industrial complex. Small-median enterprises model is one of the reasons for the success of the BRICK countries based on the small-scale chain production ultimately make a huge economic network structure­­ with high profitability.Methods and Results: Regulations of Health Ministry, the GMP principles for herbal productions, regulations of nutrition supplements registration, the process of issuing the production license, the process of issuing the establishment permit, the minimum requirements for establishing the units of medicinal plants packaging and production of plant extracts, the regulation for getting packaging and production license for plant products,supportive-policy package, industry relations with the university in the area of food and drug, regulations and guidelines for registration and establishment of knowledge-based companies, all were investigated.According to the existing criteria, the following proposed models can be presented:1) Small production with maximum 10 employees; including solids, semisolid and liquids production departments.2)Production workshop model outside the city with maximum 50 employees. 3) Providing consultation and training services in the field of medicine. Conclusions: As the pharmaceutical community need to the job that by applying a not-so-great capital to have a proper efficiency, and the pharmacist to use his knowledge, a set of products as a network can besides providing these needed items, provide the country with natural products. Therefore, the facilities to create new pharmaceutical job opportunity as well as holding empowerment courses for pharmaceutical students in this field are required