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High-entropy ceramics exhibit various excellent properties owing to their high configurational entropy, which is caused by multi-principal elements sharing one lattice site. The configurational entropy will further increase significantly if multi-principal elements randomly share two different lattice sites. For this purpose, pseudobrookite phase containing two cationic lattice sites (A and B sites) is selected, and corresponding high-entropy pseudobrookite (M 2+ 0.4 M 3+ 1.2 )Ti 1.4 O 5 is synthesized. Herein, the distribution of the 2-valent and 3-valent cations in the A and B sites are analysed in depth. The distance between the A and B sites in the crystal structure models which are constructed by the Rietveld analysis is calculated and defined as distance d. Meanwhile, the atomic column positions in the STEM images are quantified by a model-based mathematical algorithm, and the corresponding distance d are calculated. By comparing the distance d, it is determine that the 2-valent and 3-valent cations are jointly and disorderly distributed in the A and B sites in high-entropy (M 2+ 0.4 M 3+ 1.2 )Ti 1.4 O 5 . The density functional theory (DFT) simulations also demonstrate that this type of crystal structure is more thermodynamically stable. The higher degree of cationic disorder leads to a higher configurational entropy in high-entropy (M 2+ 0.4 M 3+ 1.2 )Ti 1.4  K 5 , and endows high-entropy (M 2+ 0.4 M 3+ 1.2 )Ti 1.4 O 5 with very low thermal conductivity (1.187-1.249 W m -1  K -1 )., (© 2024 Wiley‐VCH GmbH.)

Anthropogenic activities have drastically transformed natural landscapes, profoundly impacting land use and land cover (LULC) and, consequently, the provision and functionality of ecosystem service values (ESVs). Evaluating the changes in LULC and their influence on ESVs is imperative to protect ecologically fragile ecosystems from degradation. This study focuses on a highly sensitive Upper Ganga riverine wetland in India, covering Hapur, Amroha, Bulandshahr, and Sambhal districts, which is well-known for its significant endemic flora and fauna. The study analyzes the subtle variability in ecosystem services offered by the various LULC biomes, including riverine wetland, built-up, cropland, forest, sandbar, and unused land. LULC classification is carried out using Landsat satellite imagery 5 and 8 for the years 2000, 2010, and 2020, using the random forest method. The spatiotemporal changing pattern of ESVs is assessed utilizing the value transfer method with two distinct value coefficients: global value coefficients (C14) for a worldwide perspective and modified local value coefficients X08 for a more specific local context. The results show a significant increase in built-up and unused land, with a corresponding decrease in wetlands and forests from 2000 to 2020. The combined ESVs for all the districts are worth US $5072 million (C14) and US $2139 million (X08) in the year 2000, which declined to US $4510 million (C14) and US $1770 million (X08) in the year 2020. The sensitivity analysis reveals that the coefficient of sensitivity (CS) is below one for all biomes, suggesting the robustness of the employed value coefficients in estimating ESVs. Moreover, the analysis identifies cropland, followed by forests and wetlands, as the LULC biomes most responsive to changes. This research provides crucial insights to stakeholders and policymakers for developing sustainable land management practices aimed at enhancing the ecological worth of the Upper Ganga Riverine Wetland., (© 2024. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

Accurate description of electronic excited states of high-spin molecular species is a yet unsolved problem in modern electronic structure theory. A composite computational scheme developed in the present work contributes to solving this task for a challenging case of lanthanide-containing molecules. In the scheme, the highest-spin states whose wavefunctions are dominated by a single Slater determinant are described at the single-reference (SR) CCSD(T) level, whereas the lower-spin states, being inherently multiconfigurational in their nature, are treated with multireference (MR) methods, MRCI and/or CASPT2. An original technique which scales MR results against SR CCSD(T) ones to improve the accuracy in the former is proposed and examined, taking the example of 12 electronic states of gadolinium monoxide, X9Σ−, Y7Σ−, A′9Δ, A1′7Δ, A9Π, A17Π, B9Σ−, B17Σ−, C9Π, C17Π, D9Σ−, and D17Σ−, up to 35 000 cm−1. A multitude of the corresponding Ω (spin-coupled) states was then studied within the state-interacting approach employing the full Breit–Pauli spin–orbit coupling operator with CASSCF-generated ΛS states as a basis. For all ΛS and Ω states, the Gd–O bond lengths, spectroscopic constants ωe, ωexe, αe, and adiabatic excitation energies are obtained. The theoretical predictions are in good agreement with the experimental data, with deviations in excitation energies not exceeding 350 cm−1 (1 kcal/mol). The spectroscopic properties of the yet unobserved electronic states, A′9Δ, A1′7Δ, C9Π, C17Π, D9Σ−, and D17Σ−, are evaluated for the first time. [ABSTRACT FROM AUTHOR]

The rise of the global mean temperature as a consequence of incessant anthropogenic greenhouse gas (GHG) emissions, led by CO2, is one of the direst challenges faced by humankind today. The need of the hour is to minimize fossil fuel usage and capture the atmospheric CO2. Broadly, the CO2 mitigation strategies employ carbon capture and storage (CCS) and biological carbon capture and utilization (bio-CCU) technologies. A critical comparative summary of the prevalent CCS and bio-CCU methods has been presented in this study. Among all the CO2 capture technologies, the microalgal bio-CCU in a biorefinery model is more environment and economy-friendly. Microalgal biorefinery can potentially serve as a platform not only for bio-CCU but also for producing third-generation biofuels and commercially important value-added products as means of wealth generation from waste CO2. Alongside reducing the world's reliance on fossil fuels, this approach also directly or indirectly addresses most of the UN's sustainable development goals (SDGs). To enhance the microalgal CO2 capture efficiency and consequent biomass productivity, smart bioprocess design and reactor engineering performed by researchers are summarized to understand the progress in this direction. Recent advances, innovations, and existing challenges in the design and development of microalgal cultivation processes and systems, including CO2 delivery mechanisms, have been critically discussed and assessed in terms of carbon capture efficiency. The futuristic vision for the fourth-generation microalgal biorefinery-based bio-CCU has also been outlined to make some practical recommendations for its successful implementation or adaptation by the thermal power plants and cement industries. [ABSTRACT FROM AUTHOR]

Lignin valorization presents significant opportunities for advancing a sustainable bioeconomy and carbon neutrality goals. In this case, biological conversion of lignin offers promising pathways for the production of aromatic fine chemicals, effectively addressing the challenges associated with the heterogeneous and macromolecular structure of lignin. However, the pathways for converting lignin derivatives into aromatic chemicals remain underdeveloped, and their conversion efficiency remains unsatisfactory. This work aims to prospect the bioconversion pathways of lignin toward valuable aromatics, which aligns with the principles of the atom economy concept. A comprehensive overview of critical pathways for converting lignin into aromatic chemicals is presented together with a thorough discussion on advanced technologies essential for enhancing lignin bioconversion and aromatic synthesis. Furthermore, existing challenges and emerging strategies are explored. The findings of this study are expected to offer valuable insights into recent advancements and future directions in the biological conversion of lignin. These insights can facilitate lignin valorization and promote the development of a lignin-based bioeconomy. [ABSTRACT FROM AUTHOR]

Melanoma is one of the most significant and dangerous superficial skin tumors with a high fatality rate, thanks to its high invasion rate, drug resistance and frequent metastasis properties. Unfortunately, researchers for decades have demonstrated that the outcome of using conventional therapies like chemotherapy and immunotherapy with normal drug delivery routes, such as an oral route to treat melanoma was not satisfactory. The severe adverse effects, slow drug delivery efficiency and low drug accumulation at targeted malignancy sites all lead to poor anti-cancer efficacy and terrible treatment experience. As a novel transdermal drug delivery system, microneedles (MNs) have emerged as an effective solution to help improve the low cure rate of melanoma. The excellent characteristics of MNs make it easy to penetrate the stratum corneum (SC) and then locally deliver the drug towards the lesion without drug leakage to mitigate the occurrence of side effects and increase the drug accumulation. Therefore, loading chemotherapeutic drugs or immunotherapy drugs in MNs can address the problems mentioned above, and MNs play a crucial role in improving the curative effect of conventional treatment methods. Notably, novel tumor therapies like photothermal therapy (PTT), photodynamic therapy (PDT) and chemodynamic therapy (CDT) have shown good application prospects in the treatment of melanoma, and MNs provide a valid platform for the combination of conventional therapies and novel therapies by encompassing different therapeutic materials in the matrix of MNs. The synergistic effect of multiple therapies can enhance the therapeutic efficacy compared to single therapies, showing great potential in melanoma treatment. Dissolving MNs have been the most commonly used microneedles in the treatment of melanoma in recent years, mainly because of their simple fabrication procedure and enough drug loading. So, considering the increasing use of dissolving MNs, this review collects research studies published in the last four years (2020–2024) that have rarely been included in other reviews to update the progress of applications of dissolving MNs in anti-melanoma treatment, especially in synergistic therapies. This review also presents current design and fabrication methods of dissolving MNs; the limitations of microneedle technology in the treatment of melanoma are comprehensively discussed. This review can provide valuable guidance for their future development. [ABSTRACT FROM AUTHOR]

In this study, we provide electrochemical techniques for synthesizing thermally reduced graphene nanomaterial that have high potential, low defects, cost-effectiveness, and ecological sustainability. The electrochemical exfoliation is carried out by employing a 195 W DC (voltage = 60 V and current = 3.25 A) power source at a maximum electrolyte temperature of about 92.5∘C within the aqueous suspension of 2 M of sulfuric acid (H2 SO 4). Thereafter, the synthesized nanomaterial was treated in the weak piranha [combination of sulfuric acid and hydrogen peroxide (H2 O 2) ] solution using an electrochemical technique inside the water bath sonicator at 80∘C. X-ray diffraction (XRD) analysis shows the peak of diffraction to the (002) plane of the reduced graphene oxide (RGO) samples emerges at around 2 θ = 2 6. 4 0 ∘ and 26.56∘ with an interplanar distance of 3.40 Å and 3.54 Å. According to the XRD data, after the high-temperature thermal reduction phase, the structure of the crystals and interplanar separation were recovered. The size of the crystallite of RGO produced under H2SO4 conditions was discovered to be greater than the crystallite size of graphene oxide produced under piranha solution conditions. The Raman analysis results show that the degree of disorder of the graphene synthesized within the H2O2 was higher than in comparison to the graphene synthesized in H2SO4. Field emission scanning electron microscopy (FE-SEM) results show that graphene synthesized in the presence of H2O2 has a thin and porous microstructure in comparison to H2SO4 with no significant effect on the presence of the availability of the C/O ratio. The atomic force microscopy (AFM) analysis indicates that the surface roughness of the graphene synthesized in the H2O2 was higher than that of the H2SO4. The Fourier transform infrared spectroscopy (FT-IR spectroscopy) analytical results show that the majority of the functional groups have been eliminated within the samples. [ABSTRACT FROM AUTHOR]

This research addresses the imperative need for efficient underwater exploration in the domain of deep-sea resource development, highlighting the importance of autonomous operations to mitigate the challenges posed by high-stress underwater environments. The proposed approach introduces a hybrid model for Underwater Object Detection (UOD), combining Bi-directional Long Short-Term Memory (Bi-LSTM) with a Restricted Boltzmann Machine (RBM). Bi-LSTM excels at capturing long-term dependencies and processing sequences bidirectionally to enhance comprehension of both past and future contexts. The model benefits from effective feature learning, aided by RBMs that enable the extraction of hierarchical and abstract representations. Additionally, this architecture handles variable-length sequences, mitigates the vanishing gradient problem, and achieves enhanced significance by capturing complex patterns in the data. Comprehensive evaluations on brackish, and URPC 2020 datasets demonstrate superior performance, with the BiLSTM-RBM model showcasing notable accuracies, such as big fish 98.5 for the big fish object in the brackish dataset and 98 for the star fish object in the URPC dataset. Overall, these findings underscore the BiLSTM-RBM model's suitability for UOD, positioning it as a robust solution for effective underwater object detection in challenging underwater environments. [ABSTRACT FROM AUTHOR]

Potassium germanium chloride (KGeCl3) has emerged as a promising contender for use as an absorber material for lead-free perovskite solar cells (PSCs), offering significant potential in this domain. In this study, we conducted a density functional theory (DFT) investigation to analyze and assess the structural, electronic, thermomechanical, and optical characteristics of the cubic KGeCl3 absorber. The positive phonon dispersion curve confirmed the dynamical stability of KGeCl3. The elastic constant satisfied the Born criteria, validating the mechanical stability and ductility of solid KGeCl3. The electronic band structure and density of states (DOS) confirmed that the KGeCl3 material is a semiconductor with a direct band gap of 0.754 eV (GGA) and 0.803 eV (mGGA-RSCAN). The study identified key optical parameters, including absorption, conductivity, reflectivity, dielectric function, refractive index, and loss function, revealing the potential suitability of KGeCl3 for solar applications. The Helmholtz free energy (F), internal energy (E), entropy (S), and specific heat capacity (Cv) are computed based on the phonon density of states. Additionally, we investigated twenty-four configurations comprising different combinations of electron transport layers (ETLs) and hole transport layers (HTLs) in SCAPS-1D software. For this purpose, ETLs such as Ws2, ZnSe, PCBM, and C60 and HTLs such as CBTS, CdTe, CFTS, Cu2O, P3HT, and PEDOT:PSS are employed. The highlighted structure, ITO/CBTS/KGeCl3/Ws2/Ni, demonstrates remarkable performance with an efficiency of 22.01%, a Voc of 0.6799 V, a Jsc of 41.439 mA cm−2, and a FF of 78.12%. To analyze photovoltaic (PV) performance, we chose the top four solar cell (SC) configurations. Moreover, a comprehensive examination was conducted to assess the impact of various factors, including the thickness of different layers, capacitance, Mott–Schottky behavior, series and shunt resistance, temperature, and generation–recombination rates, as well as J–V (current–voltage density) and quantum efficiency (QE) characteristics. [ABSTRACT FROM AUTHOR]

Multidrug‐resistant (MDR) pathogens such as Escherichia coli, Pseudomonas aeruginosa, and Enterobacter cloacae have become a global health threat. Drug repositioning or repurposing has become a viable solution to combat the threat posed by MDR pathogens. A strategic approach to identifying potential new candidates as future molecular drug targets is presented in this study. Fifty proteins critical for virulence during systemic infection were selected from the entire genomes of MDR E. coli MB641 and Enterobacter cloacae MB649, which were isolated from infected orthopaedic implants. Interaction networks were built using the STRING database to visualise the positioning of the selected virulence proteins in the network space and support their suitability for therapeutic targeting. The two significant virulence proteins FliG and FlhA, which were discovered by network analysis, were suggested as prospective treatment targets. To test the stability of the protein–drug complexes, the preidentified proteins were docked with 10 marketed antibacterial drugs and six phytochemicals. Amikacin, rifampicin, streptomycin, and tetracycline had the best binding interaction and stability for both strains, according to our findings. Molecular dynamic simulation studies were performed for amikacin and catechin at 100 ns. Both hydrophobic and hydrophilic stable contacts were seen in the active sites of amikacin and catechin with new chemical structures. Structural and conformational analysis of the docked protein‐ligand complex was done by RMSD which showed stability of the amikacin and catechin complexes, whereas RMSF showed conformational changes. Based on the results, we propose the phytochemical catechin as the best theoretical lead, which may be further experimentally studied for selective inhibition. [ABSTRACT FROM AUTHOR]

Phosphoryl podands of neutral type with a flexible ethylene glycol chain and diphenylphosphorylmethyl end groups are known for their complexation properties towards various cations. In this work, the complexation process between 1,3-bis(diphenylphosphoryl)-2-oxapropane (L) and lanthanide ions was studied. Namely, the stability constants of lanthanide complexes with L in acetonitrile were estimated by the method of spectrophotometric titration. It was found that the stability constants of Ln3+ complexes with L increase in the lanthanide series, which is consistent with the extraction and ion-selective properties of L. The extraction ability of L and this ligand in the presence of ionic liquids (ILs) such as methyltrioctylammonium nitrate (MTOAN) and bis[(trifluoromethyl)sulfonyl]imide 1-butyl-3-methylimidazolium (C4mimTf2N) was studied. It was found that in the presence of ILs, L extracts the elements of the yttrium subgroup of lanthanides much better than those of the cerium subgroup: SFLu/Ce(L–MTOAN) = 2.29; SFLu/Ce(L–C4mimTf2N) = 110.38. The use of the L–C4mimTf2N mixture in the processes of lanthanide separation into subgroups is much more efficient than the use of L without the addition of ILs or the use of the L–MTOAN mixture. The ion-selective properties of L towards Ln3+ ions were studied. Podand L exhibits potentiometric selectivity to Lu3+ ions. [ABSTRACT FROM AUTHOR]

Nowadays, with the mechanization of human societies, the demand for energy production and storage has also increased. Fossil fuels are running out, and thus, clean energy production using non-toxic and accessible sources is desirable. The valorization of waste materials into useful compounds is among the most important research subjects. Increasing interest in cost-effective raw materials and environmentally friendly precursors has brought agricultural residues up as promising, widespread biowaste all around the world. Rice husks (RHs), corn husks, wheat straws, sugarcane bagasse, fruit nut residues, and many other agricultural wastes have been broadly applied for designing novel materials, which can be applicable for energy conversion and storage. Agricultural waste contains useful chemical compounds, which may act as reducing, stabilizing, or capping agents, templates, precursors, etc., to produce various compounds viz. carbonaceous and (nano)materials. This review paper discusses the compounds that can be applicable for electrocatalytic applications for energy conversion in addition to energy storage. In fact, in this review, reports concerning agricultural waste-derived (carbon/nano)materials for energy conversion as well as energy storage devices such as different types of batteries, supercapacitors, and solar cell systems have been reviewed. The application of agricultural waste for energy conversion and storage is a very important issue due to the increase in the human population in the future, resulting in energy shortage problems. Therefore, suitable solutions must be developed for energy conversion and storage. On the other hand, the application of natural and environmentally friendly agricultural waste is very important for energy production and storage in addition to preventing the accumulation of this waste in the environment. [ABSTRACT FROM AUTHOR]

The electrochemical deposition of iron hexacyanoruthenate (Fe−HCR) on gold electrodes was studied in electrolytes prepared with light and heavy water. Cyclic voltammetry of the material during preparation and after transfer to a precursor‐free solution exhibits two reductions peaks in H2O‐based electrolytes but only one reduction peak in D2O‐based electrolytes. The voltammetric behavior changes reversibly upon transfer of the material between D2O‐based and H2O‐based 1 mol L−1 KCl solutions. No clear structural differences between samples prepared in D2O and H2O were detected by means of X‐ray photoelectron spectroscopy (XPS) and polarization modulation infrared reflection absorption spectroscopy (PM IRRAS). We noted a relatively slow exchange of coordinated water and a fast exchange of zeolitic water. Using voltammetric experiments we could rule out simple effects of solution conductivity for K+, participation of H+/D+ in the charge compensation and surface effects on the observed dependence of the peak splitting on the isotopic composition of the solvent. The most likely reason for the observed behavior is the different structure of the H‐bonded water network of coordinated H2O and zeolitic H2O/D2O which is supported by the PM IRRAS data. [ABSTRACT FROM AUTHOR]

Background: To determine if cross‐linking (CXL) treatment modifies any pre‐existing association between corneal optical density (COD) and age in keratoconus free of corneal scarring. Methods: COD was monitored in two groups (i) before and after standard CXL treatment for keratoconus (de‐epithelization with a crescent blade, n = 69 eyes) and (ii) age/gender‐matched cases without any signs of keratoconus (n = 24 eyes). Seven different markers of COD were quantified using a 0–100 grey scale, supplied with Pentacam™ software. Results: Mean age (±sd, range) in Group I (19 females and 50 males) was 24.2 years (±7.2, 11–44) and in Group II (9 females and 15 males), it was 24.7 years (±7.6, 17–45). COD over the apex and along the depth of the cornea (y, arbitrary scale units) was associated with age (x, in years) in Group I at preop (y = 0.08x + 13.12, rs = 0.350 and p = 0.003), at 12 months postop (y = 0.08x + 15.15, rs = 0.295 and p = 0.014) and in Group II, at the start (y = 0.16x + 11.28, rs = 0.474 and p = 0.019) and 12 months later (y = 0.24x + 8.63, rs = 0.600 and p = 0.002). The change in COD following CXL was significantly associated with the preop value. Conclusion: CXL initially breaks down the pre‐existing relationship between COD and age. This is re‐established by 12 months postop. The CXL induced change in COD depends on the preop value but not on the patient's age. [ABSTRACT FROM AUTHOR]

This study aimed to evaluate a 3-day transparent film dressing protocol after hypospadias repair. A retrospective observational study was conducted in boys with hypospadias who were operated in our institution between 2022 and 2023. Postoperatively, the penis was wrapped with a transparent film dressing, which was removed after 3 days. Postoperative complications were observed until postoperative day 14. The associations of age, meatal location, and type of procedure were analyzed using Chi square, Fisher exact, Mann Whitney, and Kruskall Wallis test (p < 0.05 = significant). Sixty-five patients were studied. Median age was five years, the majority had proximal meatus (58.5%), and underwent urethroplasty (76.9%). After dressing removal, positive bacterial culture was found in 43.1%, mild penile edema in 33.8%, bleeding in 10.8%, and SSI in 49.2% of cases, with pus formation (10.8%), dehiscence (9.2%), and urethrocutaneous fistula (10% after urethroplasty procedure). Surgical site infection and positive culture were significantly higher in patients with proximal meatus compared to distal (p = 0.031, p = 0.019; respectively). A 3-day transparent film dressing prevented penile edema and bleeding in most cases. However, the rate of SSI and positive wound culture was high, and was associated with proximal meatal location. [ABSTRACT FROM AUTHOR]

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