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In this work, we successfully demonstrated a MoSe 2 @SnO 2 nanocomposite-based room temperature H 2 S gas sensor. A sensing mechanism was proposed based on experimental results and density functional theory calculations. The FESEM micrographs of the heterostructure formed by hydrothermally grown MoSe 2 -layered nanosheets and SnO 2 -hollow nanofiber result in a high surface area for H 2 S gas adsorption. On exposure to calcination, the electro-spun PVP/SnO 2 nanofiber undergoes the Kirkendall phenomenon, resulting in 94.6 nm thick hollow nanofibers. The combination of TMD@SMO shows an abundance of charge transfer, resulting in an excellent response toward H 2 S gas. The MoSe 2 @SnO 2 detects a low concentration of 500 ppb with a relative response of ∼19.9% at room temperature (RT). The simulation, using density functional theory (DFT), discloses that the adsorption energies ranged from -0.3645 to -0.5193 eV, indicating reduced bond lengths and significant H 2 S interactions. The sensor proves an excellent sensitivity toward H 2 S gas, ranging from 100 ppm to 500 ppb, with a LoD of ∼15 ppb at RT. As the sensor worked at RT with accuracy and reliability, consistent performance was observed upon exposure to various humidity levels, making it suitable for exhaled breath gas sensors. The sensor, as developed, also exhibited a good selectivity toward H 2 S gas in contrast to other gases as well as stability and longevity over time.

Antimalarial drug resistance is a major obstacle in the ongoing quest against malaria. The disease affects half of the world's population. The majority of them are toddlers and pregnant women. Needed a potent compound to act on drug-resistant Pf at appropriate concentrations without endangering the host. Envisaged solving this issue through rational drug design by creating a novel hybrid drug possessing two pharmacophores that can act on two marvellous and independent aims within the cell. Synthesized a new series of substituted 4-phenyl-1,2,3,6-tetrahydropyridine (THP) 8-Aminoquinoline-based hybrid analogs which have been integrated with quinoline, chloroquine, pamaquine, and primaquine, which exhibited antimalarial activity against Pf. Out of thirteen 4-phenyl-1,2,3,6-THP appended 8-Aminoquinoline derivatives, the compounds 1j, 1e, 1b, and 1l have exhibited good antimalarial activity against chloroquine-sensitive (3D7) and chloroquine-resistant (RKL-9) strain with the minimum inhibitory concentration. Compound 1b was the most effective and showed consistently good potency against the drug-resistant (RKL-9) strain, although all other arrays showed good antimalarial efficacy. Additional docking and molecular dynamics studies were carried out at several targeting sites to quantify the structural parameters necessary for the activity., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Sessile droplets coalescing on superhydrophobic surfaces result in spontaneous droplet jumping. Here, through coalescence experiments and fluid-structure interaction simulations for microliter droplets, we demonstrate that such droplet jumping can be damped if the underlying substrate is designed to be compliant. We show that a compliant superhydrophobic substrate with synergistic combinations of low stiffness and inertia deforms rapidly during the coalescence process to minimize the substrate reaction, thus diminishing the jumping velocity. A spring-mass system model for coalescing water droplets is proposed that successfully captures droplet motion and substrate deformation for a wide range of compliant superhydrophobic substrates. These insights can be leveraged to improve the process efficiency in multiple applications, such as designing compliant superhydrophobic substrates for minimizing the scattering of small, nanoliter-sized droplets during atmospheric water harvesting. Lastly, experiments on an exemplar butterfly wing show that droplet jumping velocity reduction can also manifest on natural superhydrophobic substrates due to their inherent compliance.

A versatile shape-controlled carbon nanomaterial that can efficiently catalyze the selective C-N coupling reactions under metal-free and open-air conditions was developed by applying N-doping and KOH activation strategies in candle soot (ANCS). The TEM and elemental mapping results showed the formation of sphere-shaped carbon particles as well as the uniform distribution of nitrogen species in the carbon framework. KOH activation enhanced the specific surface area of carbon, whereas N-doping enriched the electron-deficient nature by introducing functional N-based pyrrolic/graphitic structures in the carbon framework. The synergistic effect of N-doping and KOH activation significantly improved the catalytic efficiency of the carbon catalyst (ANCS), giving a 96% conversion of o -phenylenediamine (OPD) with a good selectivity to 2-phenylbenzimidazole (97%). In contrast, the pristine carbon exhibited very low activity (48% conversion of the OPD and 36% selectivity to 2-phenylbenzimidazole). Besides, the ANCS nanomaterial provided a facile catalytic approach for the homo- and cross-C-N condensation of various aromatic amines and diamines to produce diverse functional imines and benzimidazoles at mild conditions. This work provided promising insights into developing advanced, metal-free carbon-based catalysts for selective C-N coupling reactions to produce valuable drug motifs., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

Water vapor condensation on metallic surfaces is critical to a broad range of applications, ranging from power generation to the chemical and pharmaceutical industries. Enhancing simultaneously the heat transfer efficiency, scalability, and durability of a condenser surface remains a persistent challenge. Coalescence-induced condensing droplet jumping is a capillarity-driven mechanism of self-ejection of microscopic condensate droplets from a surface. This mechanism is highly desired due to the fact that it continuously frees up the surface for new condensate to form directly on the surface, enhancing heat transfer without requiring the presence of the gravitational field. However, this condensate ejection mechanism typically requires the fabrication of surface nanotextures coated by an ultrathin (<10 nm) conformal hydrophobic coating (hydrophobic self-assembled monolayers such as silanes), which results in poor durability. Here, we present a scalable approach for the fabrication of a hierarchically structured superhydrophobic surface on aluminum substrates, which is able to withstand adverse conditions characterized by condensation of superheated steam shear flow at pressure and temperature up to ≈1.42 bar and ≈111 °C, respectively, and velocities in the range ≈3-9 m/s. The synergetic function of micro- and nanotextures, combined with a chemically grafted, robust ultrathin (≈4.0 nm) poly-1 H ,1 H ,2 H ,2 H -perfluorodecyl acrylate (pPFDA) coating, which is 1 order of magnitude thinner than the current state of the art, allows the sustenance of long-term coalescence-induced condensate jumping drop condensation for at least 72 h. This yields unprecedented, up to an order of magnitude higher heat transfer coefficients compared to filmwise condensation under the same conditions and significantly outperforms the current state of the art in terms of both durability and performance establishing a new milestone.

CRISPR/Cas9 system is one of the most often utilized engineering tools for genome editing in many organisms including crop plants and presents great value in both basic and applied research. This is a preferred method because of its relative simplicity, cost-effectiveness, and reliability. The Cas9 nuclease guided by a short single guide RNA (gRNA) can generate double-strand DNA breaks (DSB) at the specific sites in chromosomal DNA. The DSB site is repaired by error-prone repair methods. During repair, some nucleotides are deleted or added at the target site. Here, we present a simplified protocol for generating mutants in gene of interest in rice using CRISPR/Cas9., (© 2024. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)

Keratin-based nanofibers were fabricated using the electrospinning technique, and their potential as scaffolds for tissue engineering was investigated. Keratin, extracted from the human hair, was blended with poly(vinyl alcohol) (PVA) in an aqueous medium. Morphological characterizations of the fabricated PVA-keratin nanofiber (PK-NF) random and aligned scaffolds performed using a scanning electron microscope (SEM) revealed the formation of uniform and randomly oriented nanofibers with an interconnected three-dimensional network structure. The mean diameter of the nanofibers ranged from 100 to 250 nm. Functional groups and structural studies were done by infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analysis. FTIR study suggested that PVA interacted with keratin by hydrogen bonding. Moreover, the in vitro cell culture study could suggest that PK-NF scaffolds were non-cytotoxic by supporting the growth of murine embryonic stem cells (ESCs), human keratinocytes (HaCaT), and dermal fibroblast (NHDF) cell lines. Further, the immunocytochemical characterization revealed the successful infiltration, adhesion, and growth of ESCs, HaCaT, and NHDF cells seeded on PK-NF scaffolds. However, there was no noteworthy difference observed concerning cell growth and viability irrespective of the random and aligned internal fibril arrangement of the PK-NF scaffolds. The infiltration and growth pattern of HaCaT and NHDF cells adjacent to each other in a 3D co-culture study mimicked that of epidermal and dermal skin cells and indeed underscored the potential of PK-NFs as a scaffold for skin tissue engineering., (© 2023. Controlled Release Society.)

Dropwise condensation heat transfer on water-repellent surfaces is inherently linked to the mode of droplet departure from the surface. When a microgrooved hydrophobic surface is exposed to condensation, multiple spontaneous droplet removal pathways for surface renewal are manifested. We present numerical modeling of dropwise condensation on a microgrooved hydrophobic surface. Our model is an extension of the well-established one-dimensional modeling approach involving estimation of overall condensation heat transfer through the integration of individual droplet contributions. The model presented here accounts for all the surface renewal mechanisms observed on the microgrooved hydrophobic surface: growth and coalescence of condensate droplets within the microgroove and on the ridges, imbibition of the microgrooves with condensate, bulge formation, spontaneous dewetting of the microgrooves, and shedding of large drops through gravity. The modeling results show that the microgrooves trigger condensate shedding from the surface much earlier compared to a planar hydrophobic surface. As a result, the microgrooved hydrophobic surface maintains a much lower area coverage and attains a significantly higher condensation heat flux compared to a planar surface. The model also enables isolation of the relative contributions of the four mechanisms, wherein it is observed that the spontaneous dewetting transition of microgrooves dominates the other mechanisms in terms of the overall surface renewal rate. This is in contrast to the planar hydrophobic surface where droplet shedding under gravity is the main surface renewal mechanism. Finally, we also evaluate the effect of microgroove geometry on the condensation heat transfer performance. The model predicts that hydrophobic microgrooves with depth of ∼200 μm and narrow widths below ∼100 μm can yield enhanced thermal performance.

Despite the intense worldwide efforts towards the identification of potential anti-CoV therapeutics, no antiviral drugs have yet been discovered. Numerous vaccines are now approved for use, but they all serve as preventative measures. To effectively treat viral infections, it is crucial to find new antiviral drugs that are derived from natural sources. Various compounds with potential activity against 3 chymotrypsin-like protease (3CLpro) were reported and some are validated by bioassay studies. Therefore, we performed the computational screening of phytoconstituents of Codonopsis lanceolata  to search for potential antiviral hit candidates. The curated compounds of the plant C. lanceolata were collected and downloaded from the literature. The binding affinity of the curated datasets was predicted for the target 3CLpro. Stigmasterol exhibits the highest docking score for the 3CLpro target. In addition, molecular dynamics (MD) simulations were conducted for the validation of docking results using root mean square deviation and root mean square fluctuation plots. The MD results indicated that the docked complex was stable and retained hydrogen bonding and non-bonding interactions. Furthermore, the calculation of pharmacokinetic parameters and Lipinski's rule of five suggest that C. lanceolata has the potential for drug-likeness. In order to develop new medicines for this debilitating disease, we will focus on the primary virus-based and host-based targets that can direct medicinal chemists to identify novel treatments to produce new drugs for it., Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-023-03745-2., Competing Interests: Conflict of interestThe authors declare no conflict of interest associated with this work., (© King Abdulaziz City for Science and Technology 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)

Rechargeable lithium-CO 2 (Li-CO 2 ) batteries are an attractive energy storage technology that can reduce fossil fuel usage and limit the adverse environmental impact of CO 2 emissions. However, the high charge overpotential, unstable cycling, and incomplete understanding of the electrochemical process limit its advancement for practical applications. Herein, we develop a Li-CO 2 battery by designing a bimetallic ruthenium-nickel catalyst onto multi-walled carbon nanotubes (RuNi/MWCNTs) catalyst as cathode by solvothermal method, which exhibits a lower overpotential of 1.15 V and a discharge capacity of 15,165 mAh g -1 with outstanding coulombic efficiency of 97.4 %. The battery can also operate at high rates and have a stable cycle of more than 80 cycles at a current density of 200 mA g -1 with a fixed 500 mAh g -1 capacity. Furthermore, Mars exploration is made feasible with the Li-CO 2 Mars battery composed of the RuNi/MWCNTs as cathode catalyst, which performs very similarly to that of pure CO 2 atmosphere. This approach may simplify the process of developing high-performance Li-CO 2 batteries to achieve carbon negativity on Earth and for future interplanetary Mars missions., (© 2023 Wiley-VCH GmbH.)

Despite the various research efforts towards the drug discovery program for Zika virus treatment, no antiviral drugs or vaccines have yet been discovered. The spread of the mosquito vector and ZIKV infection exposure is expected to accelerate globally due to continuing global travel. The NS3-Hel is a non-structural protein part and involved in different functions such as polyprotein processing, genome replication, etc. It makes an NS3-Hel protein an attractive target for designing novel drugs for ZIKV treatment. This investigation identifies the novel, potent ZIKV inhibitors by virtual screening and elucidates the binding pattern using molecular docking and molecular dynamics simulation studies. The molecular dynamics simulation results indicate dynamic stability between protein and ligand complexes, and the structures keep significantly unchanged at the binding site during the simulation period. All inhibitors found within the acceptable range having drug-likeness properties. The synthetic feasibility score suggests that all screened inhibitors can be easily synthesizable. Therefore, possible inhibitors obtained from this study can be considered a potential inhibitor for NS3 Hel, and further, it could be provided as a lead for drug development., (© 2022. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

Sustainable liquid cooling solutions are recognized as the future of thermal management in the chip industry. Among them, phase change heat transfer devices such as heat pipes and vapor chambers have shown tremendous potential. These devices rely on the physics of capillary-driven thin-film evaporation, which is inherently coupled with the design and optimization of the evaporator wicks used in these devices. Here, we introduce a biomimetic evaporator wick design inspired by the peristome of the Nepenthes alata that can achieve significantly enhanced evaporative cooling. It consists of an array of micropillars with multiple wedges along the sidewall of each micropillar. The efficacy of the wedged micropillar is evaluated based on a validated numerical model on the metrics of dryout heat flux and effective heat transfer coefficient. The wedge angle is chosen such that wedged micropillars cause liquid filaments to rise along the micropillar vertical walls. This results in a significant increase in thin-film area for evaporation. Additionally, the large mean curvature of the liquid meniscus produces strong capillary pumping pressure and simultaneously, the wedges increase the overall permeability of the wick. Consequently, our model predicts that the wedged micropillar wick can attain ∼234% enhancement of dryout heat flux compared to a conventional cylindrical micropillar wick of similar geometrical dimensions. Moreover, the wedged micropillars can also attain a higher effective heat transfer coefficient under dryout conditions, thus outperforming the cylindrical micropillar in terms of heat transfer efficiency. Our study provides insight into the design and capability of the biomimetic wedged micropillars as an efficient evaporator wick for various thin-film evaporation applications.

Emerging drug-delivery systems demand a controlled or programmable or sustained release of drug molecules to improve therapeutic efficacy and patient compliance. Such systems have been heavily investigated as they offer safe, accurate, and quality treatment for numerous diseases. Amongst newly developed drug-delivery systems, electrospun nanofibres have emerged as promising drug excipients and are coming up as promising biomaterials. The inimitable characteristics of electrospun nanofibres in terms of their high surface-to-volume ratio, high porosity, easy drug encapsulation, and programmable release make them an astounding drug-delivery vehicle., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Rapid and sustained condensate droplet departure from a surface is key toward achieving high heat-transfer rates in condensation, a physical process critical to a broad range of industrial and societal applications. Despite the progress in enhancing condensation heat transfer through inducing its dropwise mode with hydrophobic materials, sophisticated surface engineering methods that can lead to further enhancement of heat transfer are still highly desirable. Here, by employing a three-dimensional, multiphase computational approach, we present an effective out-of-plane biphilic surface topography, which reveals an unexplored capillarity-driven departure mechanism of condensate droplets. This texture consists of biphilic diverging microcavities wherein a matrix of small hydrophilic spots is placed at their bottom, that is, among the pyramid-shaped, superhydrophobic microtextures forming the cavities. We show that an optimal combination of the hydrophilic spots and the angles of the pyramidal structures can achieve high deformational stretching of the droplets, eventually realizing an impressive "slingshot-like" droplet ejection process from the texture. Such a droplet departure mechanism has the potential to reduce the droplet ejection volume and thus enhance the overall condensation efficiency, compared to coalescence-initiated droplet jumping from other state-of-the-art surfaces. Simulations have shown that optimal pyramid-shaped biphilic microstructures can provoke droplet self-ejection at low volumes, up to 56% lower than superhydrophobic straight pillars, revealing a promising new surface microtexture design strategy toward enhancing the condensation heat-transfer efficiency and water harvesting capabilities.

In recent times, the Li-CO 2 battery has gained significant importance arising from its higher gravimetric energy density (1876 Wh kg -1 ) compared to the conventional Li-ion batteries. Also, its ability to utilize the greenhouse gas CO 2 to operate an energy storage system and the prospective utilization on extraterrestrial planets such as Mars motivate to practicalize it. However, it suffers from numerous challenges such as (i) the reluctant CO 2 reduction/evolution; (ii) solid/liquid/gas interface blockage arising from the deposition of Li 2 CO 3 discharge product on the cathode; (iii) high overpotential to decompose the stable discharge product Li 2 CO 3 ; and (iv) instability of the electrolytes. Numerous efforts have been undertaken to tackle these challenges by developing catalysts, improving the stability of electrolytes, protecting the anode, etc. Despite these efforts, due to the lack of a decisive confirmation of the reaction mechanisms of the discharging/charging reactions occurring in the system, the progress of the Li-CO 2 battery system has been slow. In situ characterization techniques help overcome ex-situ techniques' limitations by monitoring the processes with the progress of a reaction. The current review focuses on bridging the gap in the understanding of the Li-CO 2 batteries by exploring the various in situ/operando characterization techniques that have been employed., (© 2022 Wiley-VCH GmbH.)

This study demonstrates flexible, ultra-high rate, and long cycle life lithium‑sulfur batteries using bacterial cellulose (BC) derived cathode host as well as separator. The work also includes a new strategy to use active sulfur in the form of catholyte added directly to the electrolyte for improved sulfur utilization. The fabricated LiS cell with carbonized bacterial cellulose (CBC) as a cathode host and BC as a separator (CBC@BC) delivers an impressive capacity of 740 mAh g -1 at 1C. It retains a capacity of 310 mAh g -1 even at an ultra-high rate of 4C. To have commercial adoption of CBC@BC, we tested LiS cells with a high areal loading of 5 mg cm -2 . The cell shows promising electrochemical performance for 500 cycles with a capacity retention of 82 %. Furthermore, first-principle calculations are performed to understand the interaction of soluble lithium-polysulfides with bacterial cellulose-derived material., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Organic hydrophobic layers targeting sustained dropwise condensation are highly desirable but suffer from poor chemical and mechanical stability, combined with low thermal conductivity. The requirement of such layers to remain ultrathin to minimize their inherent thermal resistance competes against durability considerations. Here, we investigate the long-term durability and enhanced heat-transfer performance of perfluorodecanethiol (PFDT) coatings compared to alternative organic coatings, namely, perfluorodecyltriethoxysilane (PFDTS) and perfluorodecyl acrylate (PFDA), the latter fabricated with initiated chemical vapor deposition (iCVD), in condensation heat transfer and under the challenging operating conditions of intense flow (up to 9 m s -1 ) of superheated steam (111 °C) at high pressures (1.42 bar). We find that the thiol coating clearly outperforms the silane coating in terms of both heat transfer and durability. In addition, despite being only a monolayer, it clearly also outperforms the iCVD-fabricated PFDA coating in terms of durability. Remarkably, the thiol layer exhibited dropwise condensation for at least 63 h (>2× times more than the PFDA coating, which survived for 30 h), without any visible deterioration, showcasing its hydrolytic stability. The cost of thiol functionalization per area was also the lowest as compared to all of the other surface hydrophobic treatments used in this study, thus making it the most efficient option for practical applications on copper substrates.

Competing Interests: There are no conflicts of interest.

Sorghum is a feed/industrial crop in developed countries and a staple food elsewhere in the world. This study evaluated the sorghum mini core collection for days to 50% flowering (DF), biomass, plant height (PH), soluble solid content (SSC), and juice weight (JW), and the sorghum reference set for DF and PH, in 7-12 testing environments. We also performed genome-wide association mapping with 6 094 317 and 265 500 single nucleotide polymorphism markers in the mini core collection and the reference set, respectively. In the mini core panel we identified three quantitative trait loci for DF, two for JW, one for PH, and one for biomass. In the reference set panel we identified another quantitative trait locus for PH on chromosome 6 that was also associated with biomass, DF, JW, and SSC in the mini core panel. Transgenic studies of three genes selected from the locus revealed that Sobic.006G061100 (SbSNF4-2) increased biomass, SSC, JW, and PH when overexpressed in both sorghum and sugarcane, and delayed flowering in transgenic sorghum. SbSNF4-2 encodes a γ subunit of the evolutionarily conserved AMPK/SNF1/SnRK1 heterotrimeric complexes. SbSNF4-2 and its orthologs will be valuable in genetic enhancement of biomass and sugar yield in plants., (© The Author(s) 2022. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.)