Energy Values Research Articles

New QSTR models to evaluation of imidazolium- and pyridinium-contained ionic liquids toxicity

We present machine learning studies devoted to the creation of predictive models for toxicity evaluation of imidazolium- and pyridinium-containing ionic liquids. New created predictive models were developed using the OCHEM. The predictive ability of the models was tested by cross-validation, giving a coefficient of determination q2 = 0.77–0.82. The models were applied to screen a virtual chemical library to the toxicity of ILs in Danio rerio and Daphnia magna bioassays. Models were used to predict toxicity for 25 ILs, which were then synthesized and tested in vivo. The in vivo toxicity studies found that D. magna is a more sensitive aquatic test organism than D. rerio – 67 % of the studied ILs are classified as extremely toxic with an LC50 range from 0.005 to 0.01 mg/l. At the same time, only one IL 1-dodecylpyridinium bromide with an LC50 of 0.08 mg/l is classified as extremely toxic, and 76 % are classified as slightly and moderately toxic compounds using D. rerio as a test organism. The most toxic ILs 5 and 19 were docked into the human AChE active center and demonstrated calculated binding energy values −9.5 and −9.3 kcal/mol that is comparable with the complexation of the human AChE inhibitor Donepezil, which provides insight into the potential molecular mechanisms of ILs toxicity. The created QSTR models are a successful tool for the toxicity analysis of new promising ILs. QSTR models demonstrated not only high predictive indicators but also a high percentage of correctly predicted toxicity values in vivo studies.

Preparation of Choco Dates Bar

Abstract: We aimed to produce dates bar by using of dates, standard procedure we adopted for preparing the Choco dates bar. However, in this study, product was devoid of any sweet additives, as dates are rich in natural sugar. Various analysis (proximate composition moisture andAsh, color, texture profile and sensory quality evolution) Were performed to evaluate the overallvirtues of dates-basedbarto be rich in protein, Fat and carbohydrates with good energy values. TheRadical was observed in bars compared to raw dates. Texture wise, product had high factor- ability, indicating easy to bite and chew nature thus rendering it suitable for elderly people and small children. result of sensory quality evolution indicated dates have evolutes potential to be converted into bars. Result generated in this study suggests date-based bars maybe expected to fulfill the requirement of heart conscious consumers. it is anticipated that the ‘CHOCO DATESBAR' attract better marketability at the international level.

Photocatalytic degradation of Rhodamine B dye via Bi2O3 embedded BaO-P2O5-TeO2 glass nanocomposites: An ab initio study of structural, optical, and electrical transport properties

Bismuth incorporated glassy systems with composition xBi2O3-(1-x) [0.3BaO-0.3P2O5-0.4TeO2] (where x = 0.10, 0.15, 0.20, and 0.25) are synthesized by melt quenching technique. The glassy systems are examined for their structural, and surface morphological properties using XRD, SEM, and EDX analysis. A study of photocatalytic activity for the degradation of common organic dyes like Rhodamine B (RhB) dye under visible light is also carried out. From UV-vis absorbance data, the calculated optical band gap energy values declined from (2.99-2.56) eV, whereas the Urbach energy and refractive index values increased from (0.35 -0.52) eV, and (2.39 - 2.52), respectively with the rise of Bi2O3 content(x). Additionally, the fundamental processes of electrical conductivity have been studied within the framework of Jonscher's universal power law and the Almond-West formalism. The Mott and Greaves model asserts that the small polaron hopping model underlies DC conductivity; as Bi2O3 content increases, DC conductivity rises, but hopping distance (Rhop) and hopping energy (Whop) drop dramatically. The electrical conductivity study reveals the semi-conducting nature of the as-prepared samples. In our present study, we are focusing on the structural, optical, and electrical transportation properties, additionally, we investigated this class of glassy materials as a promising candidate for photocatalytic dye degradation. Our study reveals that RhB dye can degrade up to 75% within 340 min of visible light illumination. Moreover, the test demonstrates the production of superoxide radicals by the CB-electrons and hydroxyl radicals by the VB holes enables efficient photocatalytic dye degradation.

Enhancing image security via chaotic maps, Fibonacci, Tribonacci transformations, and DWT diffusion: a robust data encryption approach

In recent years, numerous image encryption schemes have been developed that demonstrate different levels of effectiveness in terms of robust security and real-time applications. While a few of them outperform in terms of robust security, others perform well for real-time applications where less processing time is required. Balancing these two aspects poses a challenge, aiming to achieve efficient encryption without compromising security. To address this challenge, the proposed research presents a robust data security approach for encrypting grayscale images, comprising five key phases. The first and second phases of the proposed encryption framework are dedicated to the generation of secret keys and the confusion stage, respectively. While the level-1, level-2, and level-2 diffusions are performed in phases 3, 4, and 5, respectively, The proposed approach begins with secret key generation using chaotic maps for the initial pixel scrambling in the plaintext image, followed by employing the Fibonacci Transformation (FT) for an additional layer of pixel shuffling. To enhance security, Tribonacci Transformation (TT) creates level-1 diffusion in the permuted image. Level-2 diffusion is introduced to further strengthen the diffusion within the plaintext image, which is achieved by decomposing the diffused image into eight-bit planes and implementing XOR operations with corresponding bit planes that are extracted from the key image. After that, the discrete wavelet transform (DWT) is employed to develop secondary keys. The DWT frequency sub-band (high-frequency sub-band) is substituted using the substitution box process. This creates further diffusion (level 3 diffusion) to make it difficult for an attacker to recover the plaintext image from an encrypted image. Several statistical tests, including mean square error analysis, histogram variance analysis, entropy assessment, peak signal-to-noise ratio evaluation, correlation analysis, key space evaluation, and key sensitivity analysis, demonstrate the effectiveness of the proposed work. The proposed encryption framework achieves significant statistical values, with entropy, correlation, energy, and histogram variance values standing at 7.999, 0.0001, 0.0156, and 6458, respectively. These results contribute to its robustness against cyberattacks. Moreover, the processing time of the proposed encryption framework is less than one second, which makes it more suitable for real-world applications. A detailed comparative analysis with the existing methods based on chaos, DWT, Tribonacci transformation (TT), and Fibonacci transformation (FT) reveals that the proposed encryption scheme outperforms the existing ones.

Study of conduction mechanisms of InSeSb nano-chalcogenide alloys

The electrical conduction mechanisms for bulk samples of In0.1Se0.9−x Sb x (x = 0, 0.04, 0.08 and 0.12) nano-chalcogenide system, synthesized by the melt-quenching technique are investigated through current–voltage (I–V) characteristics. For the detailed study of conduction mechanism pellets of bulk samples are prepared. A thorough examination of electrical conductivity is done in the temperature range of 295–318 K and 0–50 V voltage range. From I–V measurements it is observed that samples are showing ohmic nature at lower field and non-ohmic nature at relatively higher field values. The temperature dependence of DC conductivity is analyzed using the Arrhenius relationship which is found to increase with Sb content. The value of activation energy and pre-exponential factor are calculated, which revealed that the conduction is due to the hopping of charge carriers among the localized states. Different parameters of Mott’s variable range hopping such as degree of disorder T 0, density of localized states N(E F), hopping distance (R hop), and hopping energy (W) are calculated. For the high field conduction process Poole–Frenkel, and Schottky processes are studied.

A unifying quantum speed limit for time-independent Hamiltonian evolution

Quantum speed limit (QSL) is the study of fundamental limits on the evolution time of quantum systems. For instance, under the action of a time-independent Hamiltonian, the evolution time between an initial and a final quantum state obeys various mutually complementary lower bounds. They include the Mandelstam–Tamm (MT) bound, the Margolus–Levitin (ML) bound, the Luo–Zhang bound, the Lee–Chau (LC) bound together with the dual ML bound introduced by Ness and coworkers. Here we show that the MT bound can be obtained by optimizing the LC bound over a certain parameter. More importantly, we report a QSL that includes all the above bounds as special cases before optimizing over the physically meaningless reference energy level of a quantum system. This unifying bound depends on a certain parameter p. For any fixed p, we find all pairs of time-independent Hamiltonian and initial pure quantum state that saturate this unifying bound. More importantly, these pairs allow us to compute this bound accurately and efficiently using an oracle that returns certain pth moments related to the absolute value of energy of the quantum state. Moreover, this oracle can be simulated by a computationally efficient and accurate algorithm for finite-dimensional quantum systems as well as for certain infinite-dimensional quantum states with bounded and continuous energy spectra. This makes our computational method feasible in a lot of practical situations. We further compare the performance of this bound for the case of a fixed p as well as the case of optimizing over p with existing QSLs. We find that if the dimension of the underlying Hilbert space is ≲2000 , our unifying bound optimized over p can be computed accurately in a few minutes using Mathematica code with just-in-time compilation in a typical desktop. Besides, this optimized unifying QSL is at least as good as all the existing ones combined and can occasionally be a few percent to a few times better.

Novel PEO-based Solid Polymer Electrolyte with High Elasticity and High Ionic Conductivity for Room Temperature Lithium Metal Batteries

Abstract The development and application of polyethylene oxide (PEO) based solid polymer electrolyte (SPE) is severely constrained by its low ionic conductivity and poor tensile resistance. To improve the electrochemical performance of SPE without losing its mechanical properties, a benzene sulfonate-based additive is adopted into crosslinking system composed of -CH2-CH2-O- segments to obtain a membrane with a high ionic conductivity of 1.47×10-4 S cm-1 and an ionic transference number of 0.70 at room temperature. The activation energy value of 0.128 eV gives evidence for a favorable migration mechanism of PTH-SPE. Anti-dendrite growth and contact optimization can be realized by molecular structure design with a tensile elongation of 490%. The reversible overpotential of Li||Li symmetric cell within 1000 h demonstrates that the compact PTH-SPE can inhibit the growth of lithium dendrite. This work provides a new strategy for designing high-performance solid electrolytes for room temperature via a green solvent-free method.

Role of carbon substitutional and vacancy in tailoring the H2 adsorption energy over a hexagonal boron nitride monolayer: an ab initio study

AbstractThe effect of the substitutional and vacancy type defects on the H2 adsorption energy over a monolayer hexagonal boron nitride (h-BN) substrate has been studied by using the van der Waals density functional theory calculations. Carbon doping at the boron site or formation of boron vacancy can be an effective way to increase the adsorption energy value of a pristine h-BN substrate. The repulsive lateral interaction present in between the two H2 molecules plays a vital role in case of multiple H2 molecule adsorption over the substrate. Also, the carbon cluster formation during doping can have a favorable effect in the overall storage capacity of the h-BN substrate.

Innovate plant-based burger patties using defatted sesame cake flour, chickpea flour, coffee silver skin and pomegranate juice as natural colorant: effects on nutritional and acceptability aspect

Purpose This study aims to evaluate the nutrient content and acceptable qualities of plant-based burger patties (PBBP) formulated with chickpea flour, defatted sesame cake (DSC) flour, coffee silver skin and pomegranate juice as colorant. Design/methodology/approach The chemical composition, energy value, cholesterol content, amino acid composition, cooking loss, pH, color characteristics and sensory attributes of PBBP were analyzed using official procedures and compared to beef burger. Findings PBBP had a protein value of 16.0 g/100g, which is nearly close to the protein content of the beef burger (18.1 g/100g). The fat content of the PBBP was approximately three times lower than that of the beef burger. The fiber content in PBBP was approximately 23 times as high as that in beef burgers samples (p = 0.05). The raw PBBP samples supplies 178 Kcal/100g, whereas beef burger possessed 259 Kcal/100g. Neither the raw nor the cooked PBBP samples contained any cholesterol. Both the beef and PBBP displayed acceptability scores higher than 7.0, which suggests that PBBP was well accepted. Originality/value It is concluded that the PBBP sample exhibited a protein value of 16.0 g/100g, which is comparable to the protein level of beef burgers (18.1 g/100g). The fat level of the PBBP samples was significantly lower than that of the beef burger samples. Uncooked PBBP samples contained significantly higher fiber content compared to beef burger samples. No cholesterol was found in raw or cooked PBBP samples. Overall acceptance scores for both beef and PBBP samples exceeded 7.0, suggesting that the proposed product (PBBP) was received favorably.

Binding energies and hydrogen bonds effects on DNA-cisplatin interactions: a DFT-xTB study.

A systematic study of hydrogen bonds in base pairs and the interaction of cisplatin with DNA fragments was carried out. Structure, binding energies, and electron density were analyzed. xTB has proven to be an accurate method for obtaining structures and binding energies in DNA structures. Our xTB values for DNA base binding energy were in the same order and in some cases better than CAM-B3LYP values compared to experimental values. Double-stranded DNA-cisplatin structures have been calculated and the hydrogen bonds of water molecules are a decisive factor contributing to the preference for the cisplatin-Guanine interaction. Higher values of the water hydrogen bonding energies were obtained in cisplatin-Guanine structures. Furthermore, the electrostatic potential was used to investigate and improve the analysis of DNA-cisplatin structures. We applied the xTB method and the CAM-B3LYP functional combined with def2-SVP basis set to perform and analyze of the bonding energies of the cisplatin interaction and the effects of the hydrogen bonds. Results were calculated employing the xTB and the ORCA software.

An in silico approach to identify novel and potential Akt1 (protein kinase B-alpha) inhibitors as anticancer drugs.

Akt1 (protein kinase B) has become a major focus of attention due to its significant functionality in a variety of cellular processes and the inhibition of Akt1 could lead to a decrease in tumour growth effectively in cancer cells. In the present work, we discovered a set of novel Akt1 inhibitors by using multiple computational techniques, i.e. pharmacophore-based virtual screening, molecular docking, binding free energy calculations, and ADME properties. A five-point pharmacophore hypothesis was implemented and validated with AADRR38. The obtained R2 and Q2 values are in the acceptable region with the values of 0.90 and 0.64, respectively. The generated pharmacophore model was employed for virtual screening to find out the potential Akt1 inhibitors. Further, the selected hits were subjected to molecular docking, binding free energy analysis, and refined using ADME properties. Also, we designed a series of 6-methoxybenzo[b]oxazole analogues by comprising the structural characteristics of the hits acquired from the database. Molecules D1-D10 were found to have strong binding interactions and higher binding free energy values. In addition, Molecular dynamic simulation was performed to understand the conformational changes of protein-ligand complex.

Digestibility and nutritional parameters of maize ethanol coproducts and xylanase for broiler diets

ABSTRACT 1. The objective of this study was to determine the nutritional and energy values of four maize distiller’s dried grains with solubles (DDGS) and one maize high protein distiller’s dried grains (HP-DDG) from ethanol production plants in Brazil; to evaluate the digestibility, performance, nitrogen balance and energy values for broiler chickens fed diets containing these coproducts (Experiment I); and to evaluate the effects of xylanase inclusion in diets containing maize DDGS for broilers on energy availability, digestibility, nitrogen balance and gastrointestinal morphometry (Experiment II). 2. For each experiment, 180 broiler chickens aged 17 and 30 days with initial weights of 450 ± 18 g and 1228 ± 33 g, respectively, were used; the chickens were distributed into 36 metabolism cages. The experimental design consisted of complete randomised blocks, with six replications per treatment and five birds per experimental unit. The treatments consisted of a basal diet (BD) and five test diets containing maize ethanol coproducts (Experiment I) one BD and five test diets containing DDGS with inclusions of 0, 8,000, 16,000, 24,000 and 32,000 BXU/kg xylanase (Experiment II). In Experiment I, HP-DDG and DDGS2 presented higher AME and AMEn values (14.1 and 13.9 MJ/kg and 13.4 and 13.3 MJ/kg, respectively), than did the other coproducts (p < 0.05). Compared with DDGS1 and DDGS3, DDGS4 and HP-DDG had higher digestible CP values (p < 0.05). In Experiment II, the inclusion of the enzyme quadratically affected the values of digestible CP and digestible EE (p < 0.05), with the maximum values occurring with the inclusion of 18 750 and 22,170 BXU/kg of xylanase, respectively. 3. The digestible NDF and digestible MM values linearly increased with the inclusion of xylanase (p < 0.05). The addition of xylanase had no effect on gastrointestinal morphometry (p > 0.05). It was concluded that the inclusion of between 18,000 and 22,000 BXU/kg of xylanase resulted in better digestible CP and digestible EE values.

Synthesis of polyaniline-doped magnetic iron foam photo catalyst (PANI@mIF) for integrated adsorptive photocatalytic degradation of nicosulfuron

ABSTRACT Nicosulfuron have low volatility and slow biodegradation rate, leading to its long persistency in soil and crops, which further upraised the risk of contamination of nearby water and severe damage to the crop rotation as may be its precursors are more harmful than nicosulfuron itself. In the present work, we performed a degradation study for the efficient removal of nicosulfuron from soil and water using Polyaniline-doped magnetic iron foam (PANI@mIF). The Photo catalyst was synthesised by doping of polyaniline on magnetic iron foam at 70°C and applied for the efficient photocatalytic degradation of nicosulfuron. PANI@mIF was then characterised through FTIR, SEM, EDX and XRD. The degradation of nicosulfuron was investigated under UV radiations and the resulted data were examined by fitting isotherms models. The Langmair model is well fitted to the adsorption data with R2 of 0.925, which demonstrates monolayer adsorption of nicosulfuron on the surface of PANI@mIF. The maximum adsorption capacity and percent degradation of 87% was achieved with PANI@mIF. Comparatively, good adsorption capacity of PANI@mIF is attributed to a large number of H bonding and electrostatic interactions. Kinetic study indicates the adsorption of nicosulfuron by PANI@mIF followed 2nd order kinetics with R2 of 0.958.The negative values of Gibbs free energy (−18294.3, 19543.1,-7530.4, −7307.7 and −7969.8), enthalpy (−1.97 × 10−4) and entropy (−3.54 × 10−3) indicate spontaneous and exothermic nature of the process. The reusable nature of PANI@mIF with 5 batches reflected its inventive photo catalytic behaviour for real sample applications and waste water treatment.

A fault ride-through strategy for accurate energy optimization of offshore wind VSC[sbnd]HVDC system without improved fault ride-through strategy of wind turbines

The transmission of offshore wind power through High Voltage Direct Current (HVDC) systems is an important way to utilization of offshore renewable energy. However, onshore AC grid faults can make it difficult to transmit the energy from offshore wind farms, resulting in HVDC system overvoltages. Existing solutions to this problem mainly include adding DC or AC energy-dissipation devices, adding communication systems, and improving the fault ride-through(FRT) strategy of wind turbines, which have issues with economics or reliability. Based on this, this paper proposes a device-free, communication-free FRT strategy, and the fault ride-through strategy of wind turbines does not need improvement. The exchange of active power between the AC side and DC side of the onshore MMC is calculated under grid-following and grid-forming control strategy. The reference value of DC voltage and offshore MMC capacitance energy are proposed at different control stages. Especially, the dynamically calculated offshore AC voltage reference values have been theoretically provided. This approach ensures that the HVDC system avoids over-voltage and effectively stores more energy. The effectiveness and correctness of the proposed scheme were verified through simulation on the RTDS platFform. This paper is of great significance to promote the development of offshore renewable energy and ensure the safe operation of offshore wind HVDC systems.

Thermogravimetric pyrolysis investigation of pistachio shell for its potential of thermal properties, kinetics and thermodynamics

In order to design and optimize thermochemical systems for the production of bioenergy understanding the energy capacity of the pistachio shell and its kinetics of degradation is crucial. The Thermogravimetric analysis at different heating rates of biomass was studied along with thermodynamic study, primary characterizations like the composition of biomass, heating value and a reaction mechanism-assisted kinetic model. Nitrogen gas flow rate is used for thermogravimetric analysis (TGA), which is performed at 10, 15, 20 and 30 ℃/min different heating rates from room temperature to 900 ℃. The output also shows that maximal degradation took place between 180 and 430 °C. The various iso-conversional models, such as Flynn–Wall–Ozawa (FWO), Kissinger–Akahira–Sunose (KAS), Starink and Friedman, are used to calculate kinetic and thermodynamic parameters, which give the average value of activation energy as 172.29, 170.47, 169.79, and 193.25 kJ/mol. The average values of Gibbs free energy for the FWO, KAS, Starink and Friedman techniques were found to be 176.49, 1176.54, 176.29, and 175.78 kJ/mol, respectively.Graphical

Settings and effectiveness of the revised probe compared to the original probe for micropulse transscleral cyclophotocoagulation.

The goal of this study was to compare the settings and effectiveness of the original P3 and revised P3 probes for micropulse transscleral cyclophotocoagulation. This retrospective cross sectional study includes a total of 56 patients with glaucoma who received micropulse transscleral cyclophotocoagulation. 32 patients received treatment with the original P3 probe and 24 received treatment with the revised P3 probe. Success was defined as a 20% reduction in intraocular pressure. Laser settings, pre-op and post-op intraocular pressures, and pre-op and post-op medications were assessed. A 20% IOP reduction was achieved in 50% of patients in the original probe vs. 58.3% in the revised probe at one month (P = 0.536) and 71.9% vs. 50% at three months (P = 0.094), respectively. The revised P3 probe used higher values of power (2500 mW vs. 2023 mW, P < 0.0001), total duration (217s vs. 179s, P < 0.0001), and energy (170J vs. 113J, P < 0.001). There was a significant decrease in IOP lowering meds with the original probe at one month (-0.9 +/- 1.5 vs. -0.0 +/- 0.7, P = 0.010), but this was not seen at three months. There is no significant difference in IOP lowering effect between probes despite the revised probe using higher total energy. The original probe may be associated with fewer medications at 1 month, but not at 3 months. Further studies with longer follow up are needed to optimize the treatment parameters in order to maximize effectiveness while limiting side effects.

Hydrothermal carbonization of sugar beet pulp: optimization and characterization

AbstractIn this study, the optimum hydrothermal conditions of sugar beet pulp were investigated by Response Surface Methodology (RSM) based on Central Composite Design (CCD). The hydrochar obtained from sugar beet pulp (SBP) was optimized for maximum yield and carbon content. Process conditions were chosen with reaction temperatures of 200–240 °C, residence time 60–150 min, and biomass to water ratio of 1:3–1:10. The yield and carbon content of the hydrochar varied with the process parameters. In order to obtain hydrochar with the highest yield and carbon content in optimization, the reaction temperature should be 220.74 °C, the biomass to water ratio should be 1:3, and the residence time should be 95.58 min. High heating value, energy and mass yield, and energy densification ratio of sugar beet pulp and hydrochar were also investigated. The products were characterized using FT-IR, SEM, and ultimate analysis techniques. The Coats-Redfern method was used to estimate the kinetic parameters of the combustion processes. The activation energy values of SBP and SBP-HC products were calculated as 13.88 and 11.46 kJ/mol, respectively. The kinetic data were used to determine the thermodynamic parameters (ΔH, ΔG, and ΔS). As a result, the properties of hydrochar produced from sugar beet pulp under optimum conditions have been extensively investigated and the results have shown that hydrochar has potential for use in different areas.

Effect of Composted Organic Waste on Miscanthus sinensis Andersson Energy Value

At the time of rising urbanization and population growth, the search for renewable energy sources to ensure sustainable development is of extreme importance. The aim of this research was to determine the effects of different proportions of composted organic materials, i.e., mushroom substrate and municipal waste, on Chinese silver grass (Miscanthus sinensis Andersson) energy value. A three-year field experiment was established on experimental plots in the east-central part of Poland. Various treatment combinations, each introducing 170 kg N·ha−1 to the soil, had a positive effect on the energy parameters of Chinese silver grass biomass. The highest calorific value (17,964 kJ·kg−1) was noted for plants treated with mushroom compost on its own (MSC100%).

Unlocking potential in renewable energy curtailment for green ammonia production

Renewable energy stands as a cornerstone for a sustainable future, yet it grapples with a significant obstacle: curtailment—deliberate energy generation reduction to avert grid overload. Curtailment not only squanders clean energy but also poses economic and environmental challenges. This study seeks to enhance the value of renewable energy by proposing a comprehensive methodology to evaluate and mitigate curtailment, with a particular focus on repurposing curtailed energy for ammonia production in Jordan, a pioneering nation in renewable energy adoption. The study unfolds several pivotal contributions to the field: (1) Incorporating curtailment in the capacity factor equation for the first time. (2) Exploring green ammonia potential in Jordan for the first time. (3) Investigating, for the first time, the effects of by-products (specifically oxygen and rare gases) on the investment in green hydrogen and ammonia, utilizing system dynamics (4) Outlining hydrogen applications and highlighting the breakthrough hydrogen energy release optimizer for combustion-free hydrogen extraction. In a scenario where curtailment is restrained (514.1 GWh/year), our findings unveil promising prospects: hydrogen and ammonia can be produced at levelized costs of 2.4 USD/kg and 600 USD/ton, respectively. More significantly, the integration of free energy (curtailed energy) and the synergistic utilization of oxygen and rare gases, notably argon, precipitate a remarkable cost reduction to 1.5 USD/kg and 401 USD/ton for hydrogen and ammonia production, respectively. This remarkable cost reduction underscores a substantial improvement, with the cost of ammonia being USD 219 lower than the average market price (USD 620). We advocate for the adoption of the hydrogen energy release optimizer and strategic utilization of by-products as pivotal strategies to significantly mitigate the costs associated with hydrogen and ammonia production, thereby amplifying the value and viability of renewable energy initiatives.

A Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF4: their in vitro and in silico anti-TB studies.

A simple and effective three-component one-pot green methodology was employed for the synthesis of a new thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidine derivatives using [Bmim]BF4 ionic liquid via [3 + 2] cycloaddition reaction. It is an environmentally benign, column chromatography-free, shorter reaction time, good yield and easy product isolation method. The synthesized compounds 10a-x, were thoroughly characterized by using various spectroscopic methods like FT-IR, 1H NMR, 13C NMR, Mass spectrometry and finally by single crystal X-ray diffraction method. In vitro anti-tubercular (anti-TB) activity studies were carried out on these synthesized compounds, and they showed good to moderate anti-TB activity against Mycobacterium tuberculosis H37Rv strain. The compound 10a exhibited good anti-TB activity, with an MIC (Minimum Inhibitory Concentration) value of 12.5µg/mL, and the compounds 10m, 10o and 10r showed moderate activity with an MIC value of 25.0µg/mL. Remaining compounds exhibited poor activity against Mycobacterium tuberculosis. Ethambutol, rifampicin and isoniazid were used as standard drugs. Furthermore, in silico molecular docking experiments on the TB protein (PDB ID: 1DF7) were carried out to understand the binding interactions, and they showed least binding energy values ranging from -8.9 to -7.2kcal/mol.