Leveraging Artificial Intelligence for Synergies in Drug Discovery: From Computers to Clinics.

Over the period of the preceding decade, artificial intelligence (AI) has proved an outstanding performance in entire dimensions of science including pharmaceutical sciences. AI uses the concept of machine learning (ML), deep learning (DL), and neural networks (NNs) approaches for novel algorithm and hypothesis development by training the machines in multiple ways. AI-based drug development from molecule identification to clinical approval tremendously reduces the cost of development and the time over conventional methods. The COVID-19 vaccine development and approval by regulatory agencies within 1-2 years is the finest example of drug development. Hence, AI is fast becoming a boon for scientific researchers to streamline their advanced discoveries. AI-based FDA-approved nanomedicines perform well as target selective, synergistic therapies, recolonize the theragnostic pharmaceutical stream, and significantly improve drug research outcomes. This comprehensive review delves into the fundamental aspects of AI along with its applications in the realm of pharmaceutical life sciences. It explores AI's role in crucial areas such as drug designing, drug discovery and development, traditional Chinese medicine, integration of multi-omics data, as well as investigations into drug repurposing and polypharmacology studies.

From single-chamber to multi-anodic microbial fuel cells: A review.

Microbial fuel cells (MFCs) present a promising solution for wastewater treatment with the added benefits of energy generation, less sludge production and less energy consumption. MFCs have demonstrated high efficiency in the degradation of diverse types of wastewater. Nevertheless, the relatively low power density exhibited by MFCs has imposed certain restrictions on their widespread implementation. Consequently, the need for modification of MFC technology led to the development of stack and multi-chambered MFCs. The modified variations exhibit enhanced scalability and demonstrate greater reliability in terms of power output compared to traditional MFCs. In the present review article, different components of MFCs such as anode, cathode, microbial community and membrane have been reviewed and the advancement in design for better scalability of MFCs has been addressed, emphasizing the benefits associated with stacked and multi-anodic MFCs for enhanced performance. Finally, an update of previous large-scale MFC system applications is presented.

Elimination of pharmaceuticals from wastewater using microbial fuel cell-based bio-electro-Fenton process.

This study highlights the potential of the microbial fuel cell (MFC)-based bio-electro-Fenton (BEF) process as an efficient and highly adaptable strategy for wastewater treatment. The research aims to optimize the pH of the cathodic chamber (3-7) and catalyst doses (Fe) (0-18.56%) on the graphite felt (GF) cathode, and examine the effect of operating parameters on chemical oxygen demand (COD) removal, mineralization efficiency, pharmaceuticals (ampicillin, diclofenac, and paracetamol) removal, and power generation. The study found that lower pH and higher catalyst dosage on the GF led to better performance of the MFC-BEF system. Under neutral pH, mineralization efficiency, paracetamol removal, and ampicillin removal were enhanced by 1.1 times, and power density improved by 1.25 times as catalyst dosage increased from 0 to 18.56%. Additionally, employing full factorial design (FFD) statistical optimization, the study identifies the optimized conditions for maximum COD removal, mineralization efficiency, and power generation, which are determined to be a pH of 3.82 and a catalyst dose of 18.56%.

Sequential anaerobic-aerobic treatment of rice mill wastewater and simultaneous power generation in microbial fuel cell.

Microbial fuel cells (MFCs) have attracted widespread interest due to their capability to generate power while treating wastewater. In the present investigation, rice mill wastewater (RMW) was treated in a dual-chamber MFC with a biological cathode (MFCB), in which anaerobic treatment was provided in the anode compartment, and aerobic treatment was enployed in the cathode compartment. The performance was compared with an identical MFC with an abiotic cathode (MFCA). During continuous operation, the hydraulic retention time (HRT) of the anode compartments of both MFCs was kept at 12 h. The maximum volumetric power density obtained in MFCB (379.53 mW/m3) was lower than MFCA (791.72 mW/m3). Similarly, the maximum open-circuit voltage (OCV) and operating voltages were 0.519 V and 0.170 V for MFCB, while for the MFCA, they were 0.774 V and 0.251 V, respectively. The internal resistance of MFCA was 372.34 Ω while the MFCB showed a higher internal resistance of 533.89 Ω. The linear sweep voltammetry and cyclic voltammetry also demonstrated high electrochemical activity in MFCA compared to MFCB. However, MFCB has shown a higher chemical oxygen demand (COD) removal efficiency (96.8%) than MFCA (88.4%) under steady-state conditions. Both anaerobic and aerobic degradation of organic substrates significantly reduced the COD of RMW. Furthermore, the absence of an expensive catalyst in the cathode substantially reduces the cost of the system. The electrical performance of the system can be enhanced by employing novel cathode material with surface modification.

Greywater treatment in SBR-SND reactor - optimization of hydraulic retention time, volumetric exchange ratio and sludge retention time.

In this study, simultaneous nitrification and denitrification-sequencing batch reactor (SND-SBR) process was investigated to treat greywater. The effect of three process parameters, including hydraulic retention time (HRT), volumetric exchange ratio (VER) and sludge retention time (SRT), was optimised using a 23 full factorial design. The statistic model was developed for two response variables, i.e. chemical oxygen demand (COD) and ammonia (NH3-N) removal. The optimum conditions were 6.8 h HRT (anaerobic/aerobic/anoxic: 1.77 h/2.77 h/2.27 h), 0.7 VER and 7.94 d SRT, which resulted in 93.9% COD and 84.6% NH3-N removal efficiency. SRT was the most significant factor, followed by HRT and VER for COD and NH3-N removal. The interaction effect of VER and SRT was significant in COD removal. On the other hand, the interaction effects of HRT-VER and HRT-SRT were significant in NH3-N removal. The removal efficiencies of 89.6 ± 1.1% and 83.7 ± 2.3% were observed for TKN and TN, respectively, in the optimised SND-SBR system. NH3-N removal was obtained via nitrate pathway in the SND-SBR system. The PO43--P removal of 74.2 ± 3.4% was obtained via aerobic phosphorus uptake and post anoxic denitrification at the optimal condition. To enhance PO43--P removal, adsorption (using corn cob adsorbent) was integrated with SBR by adding the optimum adsorbent dose (0.5 g/L). The PO43--P removal efficiency in the SBR-adsorption system was found to be 80 ± 1.5%. The biodegradation of emerging contaminants (ECs) was also carried out in the SND-SBR system, and the results showed removal rate of 58.9 ± 2.3% benzophenone-3 (BP) and 80.1 ± 2.2% anionic surfactant (AS).

Exploring necessity to pre-treat organic fraction of waste prior to use in an earthen MFC modified with bentonite.

In this study, the addition of bentonite at different proportions as clay minerals and various thicknesses (4, 5, and 6 mm) of ceramic membranes were evaluated for proton and oxygen mass transfer coefficients. Bentonite (20% and 4 mm) was found to be optimum and was then employed to assess earthen microbial fuel cell (EMFC) performance for different substrates (kitchen waste (KW) slurry and leachate) under batch mode. Both substrates were added in different concentrations of chemical oxygen demand (COD), i.e., 18, 15.2, 12.5, 9.7, and 6.9 g/L to EMFCs. The EMFC achieved superior organic removals for leachate (>96%). Intriguingly, the volatile fatty acids (VFAs) generation and consumption were different for each substrate. Each system expressed affinity towards acetic acid, but limited VFAs (acetic and propionic) were generated by KW while leachate generated acetic, propionic, and butyric. The leachate concentration having COD of 15.2 g/L produced the highest power density of 586.5 ± 38.8 mW/m3, while for KW, only 41.5 mW/m3 (6.9 g/L of COD for KW) was obtained. The study consolidates the need for an intermediate step to pre-treat the organic fraction of waste before its use for resource recovery. Bentonite was found as an effective clay mineral for manufacturing ceramic membranes.

Sequential biological and solar photocatalytic treatment system for greywater treatment.

In this study, sequencing batch reactor (SBR) using anaerobic/aerobic/anoxic process was coupled to a solar photocatalytic reactor (SPCR) for greywater treatment. The greywater effluent from SBR (operated at the optimal condition: 6.8 h hydraulic retention time (HRT), 0.7 Volumetric exchange ratio (VER) and 7.94 d solids retention time (SRT) with optimal corn cob adsorbent dosage (0.5 g/L)) was fed to the SPCR (operated at optimal conditions: pH - 3, H2O2 dosage - 1 g/L, catalyst dosage - 5 g/L). Chemical oxygen demand (COD) removal of 92.8±0.5% and ∼100% were achieved in SBR and SBR-SPCR, respectively. Similarly, total organic carbon (TOC) removal of 91±0.9% and ∼100% were observed in SBR and SBR-SPCR, respectively. After SBR treatment, average total nitrogen (TN) removal of 84% was found and this TN removal increased to 93% after combined SBR-SPCR treatment. The maximum PO43-_P reduction of 80±1.5% % was achieved with SBR-adsorption system. In addition, a maximum of 87±0.9% of net PO43-_P removal was reached after SBR-SPCR treatment. 58.9±2.3% BP (benzophenone-3) removal was obtained in the SBR while the integration of SBR and SPCR treatment was resulted in 100% BP removal. An effective anionic surfactant (AS) removal rate (80.1±2.2%) was observed in the SBR phase, which further improved to 94.9±1% at the end of 4 h SPCR treatment.

Sodium nitrate as a methanogenesis suppressor in earthen separator microbial fuel cell treating rice mill wastewater.

The microbial fuel cell (MFC) is one of the sustainable technologies, which alongside treating wastewater, can generate electricity. However, its performance is limited by factors like methanogenesis where methanogens compete with the anode respiring bacteria for substrate, reducing the power output. Thus, sodium nitrate, which has been previously reported to target the hydrogenotrophic methanogens, was used as a methanogenic suppressor in this study. The performance of MFC with and without sodium nitrate was studied during the treatment of rice mill wastewater. A significantly higher power density and coulombic efficiency (CE) were noted in the MFC with sodium nitrate (MFCT) (271.26 mW/m3) as compared to the control MFC (MFCC) (107.95 mW/m3). Polarization studies showed lower internal resistance for the MFCT (330 Ω) as compared to MFCC (390 Ω). Linear sweep voltammetry and cyclic voltammetry indicated a higher electron discharge on the anode surface due to enhancement of electrogenic activity. Considerable reduction (76.8%) in specific methanogenic activity was also observed in anaerobic sewage sludge mixed with sodium nitrate compared to the activity of anaerobic sewage sludge without any treatment. Due to the inhibition of methanogens, a lower chemical oxygen demand (COD) and phenol removal efficiency were observed in MFCT as compared to MFCC. The COD balance study showed an increase in substrate conversion to electricity despite the increase in nitrate concentration. Therefore, selective inhibition of methanogenesis had been achieved with the addition of sodium nitrate, thus enhancing the power generation by MFCs.

Application of clayware ceramic separator modified with silica in microbial fuel cell for bioelectricity generation during rice mill wastewater treatment.

Ceramic separators have recently been investigated as low-cost, robust, and sustainable separators for application in microbial fuel cells (MFC). In the present study, an attempt was made to develop a low-cost MFC employing a clayware ceramic separator modified with silica. The properties of separators with varying silica content (10%-40% w/w) were evaluated in terms of oxygen and proton diffusion. The membrane containing 30% silica exhibited improved performance compared to the unmodified membrane. Two identical MFCs, fabricated using ceramic separators with 30% silica content (MFCS-30) and without silica (MFCC), were operated at hydraulic retention time of 12 h with real rice mill wastewater with a chemical oxygen demand (COD) of 3,200 ± 50 mg/L. The maximum volumetric power density of 791.72 mW/m3 and coulombic efficiency of 35.77% was obtained in MFCS-30, which was 60.4% and 48.5%, respectively, higher than that of MFCC. The maximum COD and phenol removal efficiency of 76.2% and 58.2%, respectively, were obtained in MFCS-30. MFC fabricated with modified ceramic separator demonstrated higher power generation and pollutant removal. The presence of hygroscopic silica in the ceramic separator improved its performance in terms of hydration properties and proton transport.

Methanogenesis suppression in microbial fuel cell by aluminium dosing.

Reduction in power production due to loss of substrate to methanogens makes methanogenesis a serious performance limitation in microbial fuel cell (MFC). Aluminium (Al) due to its antibacterial properties easily affects the methanogens, which have a thinner cell membrane and slower growth rate. The effect of Al in suppressing methanogens was thus studied by adding 5 mg/L of aluminium sulphate in anolyte of the treated MFC (MFCT). Reduced COD removal efficiency of 86.11 ±â€¯1.3% was observed in MFCT which was lower than that observed (96.25 ±â€¯1.7%) in the control MFC (MFCC) operated without Al addition. An average volumetric power density of 1.84 ±â€¯0.40 W/m3 was observed in MFCT whereas the average volumetric power density observed in MFCC was 1.54 ±â€¯0.46 W/m3. An internal resistance of 195â€¯Ω was observed in MFCT, which was significantly lower than 349 Ω, as observed in MFCC. The coulombic efficiency (CE) of MFCT was found to be 2.5 times higher than the CE of MFCC. This improved performance of MFCT denoted better biocatalytic activity and electron transfer capability of anodic biofilm of MFCT than MFCC. Higher current generation during electrochemical analysis showed better electron discharge at the anode and lesser electron loss at the interface of electrode and electrolyte.

Effect of organic loading rates and proton exchange membrane surface area on the performance of an up-flow cylindrical microbial fuel cell.

The effect of organic loading rates (OLRs) and proton exchange membrane (PEM) surface area on the performance of microbial fuel cells (MFCs) was evaluated. Three MFCs (MFC-1, MFC-2 and MFC-3) having PEM surface area of 10 cm2, 20 cm2 and 40 cm2, respectively, were used in the study. The MFCs were operated at influent chemical oxygen demand (COD) of 500 mg L(-1) and hydraulic retention time (HRT) of 20 h, 17 h, 13 h and 6 h in experimental Run-1 to Run-4. MFC-3, with highest PEM surface area showed highest power generation throughout the study. The optimum performancewas obtained at HRT of 13 h. In Run-5 and Run-6, the influent COD was increased to 1000 mg L(-1) and 1500 mg L(-1), respectively, maintaining the HRT at 13 h. Maximum volumetric powers of 4.26 W m(-3), 9.41 W m(-3) and 17.24 W m(-3) were obtained in MFC-1, MFC-2 and MFC-3, respectively, in Run-5 under the OLR of 1.84 kg COD m(-3) d(-1). These power values are among the higher values reported in literature; MFCs with higher PEM surface area showed better electricity generation, which clearly demonstrates that proton mass transfer is the main constraint in the MFCs which limits the power output. Combined effect of influent COD and HRT was found on electricity generation.

Rice mill wastewater treatment in microbial fuel cells fabricated using proton exchange membrane and earthen pot at different pH.

Performance of microbial fuel cells (MFCs), fabricated using an earthen pot (MFC-1) and a proton exchange membrane (MFC-2), was evaluated while treating rice mill wastewater at feed pH of 8.0, 7.0 and 6.0. A third MFC (MFC-3), fabricated using a proton exchange membrane (PEM), was operated as control without pH adjustment of the acidic raw wastewater. Maximum chemical oxygen demand (COD) removal efficiencies of 96.5% and 92.6% were obtained in MFC-1 and MFC-2, respectively, at feed pH of 8.0. MFC-3 showed maximum COD removal of 87%. The lignin removal was 84%, 79%, and 77% and the phenol removal was 81%, 77%, and 76% in MFC-1, MFC-2, and MFC-3, respectively. Maximum sustainable volumetric power was obtained at feed pH of 8.0, and it was 2.3 W/m(3) and 0.53 W/m(3), with 100 ohm external resistance, in MFC-1 and MFC-2, respectively. The power was lower at lower feed pH. MFC-3 generated lowest volumetric power (0.27 W/m(3)) as compared to MFC-1 and MFC-2. More effective treatment of rice mill wastewater and higher energy recovery was demonstrated by earthen pot MFC as compared to MFC incorporated with PEM.

Performance evaluation of low cost microbial fuel cell fabricated using earthen pot with biotic and abiotic cathode.

An attempt has been made to produce low cost MFC from the commercially available earthen pots in India, without involving any costly membrane. This MFC gave a maximum power output of 16.8 W/m(3) at a Coulombic efficiency (CE) of 31.3% with graphite plate cathode. With stainless steel mesh cathode and KMnO(4) as cathodic electrolyte the power production and CE of 70.48 W/m(3) and 64.5%, respectively, was obtained. The performance of this earthen pot MFC was evaluated with biotic and abiotic cathode. Although, biofilm formation on the cathode is observed to be helpful in enhancing power out put, the thicker biofilm on the cathode showed reduction in power. This MFC demonstrated competitive performance as compared to MFC incorporated with membrane. This low cost MFC, with total production cost of less than 1.0$, as per Indian market, demonstrated its utility as a wastewater treatment and onsite power generation device.

Performance of microbial fuel cell in response to change in sludge loading rate at different anodic feed pH.

Performance of two dual chambered mediator-less microbial fuel cells (MFCs) was evaluated at different sludge loading rate (SLR) and feed pH. Optimum performance in terms of organic matter removal and power production was obtained at the SLR of 0.75 kg COD kg VSS(-1) d(-1). Maximum power density of 158 mW/m(2) and 600 mW/m(2) was obtained in MFC-1 (feed pH 6.0) and MFC-2 (feed pH 8.0), respectively. Internal resistance of the cell decreased with increase in SLR. When operated only with biofilm on anode, the maximum power density was 109.5 mW/m(2) in MFC-1 and 459 mW/m(2) in MFC-2, which was, respectively, 30% and 23.5% less than the value obtained in MFC-1 and MFC-2 at SLR of 0.75 kg COD kg VSS(-1) d(-1). Maximum volumetric power of 15.51 W/m(3) and 36.72 W/m(3) was obtained in MFC-1 and MFC-2, respectively, when permanganate was added as catholyte. Higher feed pH (8.0) favoured higher power production.