A comprehensive study on electron and hole transport layers for designing and optimizing the efficiency of MoSe2-Based solar cells using numerical simulation techniques.

Researchers have recently shown a great deal of interest in molybdenum diselenide (MoSe2)-based solar cells due to their outstanding semiconducting characteristics. However, discrepancies in the band arrangement at the MoSe2/ETL (electron transport layer) and hole transport layer (HTL)/MoSe2 interfaces impede performances. In this research, a device combination with Ag/FTO/ETL/MoSe2/HTL/Ni is employed, where 7 HTLs and 3 different ETLs have been utilized to explore which device arrangement is superior. To achieve the most effective device arrangement, the effects of various device variables, such as thickness, donor density, acceptor density, defect density, temperature, series, and shunt resistance, are optimized. The computational evaluation under AM 1.5 light spectrums (100 mW/cm2) is performed using the SCAPS-1D simulator. When the several device parameters were optimized, the device that was correlated with Ag/FTO/SnS2/MoSe2/V2O5/Ni revealed the highest overall performances among the three different ETL (In2S3, SnS2, ZnSe)-based devices, with measuring a PCE of 34.07 %, a VOC of 0.918 V, a JSC of 42.565 mAcm-2, and an FF of 87.19 %. This recommended MoSe2-based solar cell exhibits outstanding efficiency in terms of maintenance and comparison to numerical thin film solar cells, highlighting MoSe2 as an attractive option for solar energy systems while eliminating toxicity challenges.

Systemic Codelivery of Thymoquinone and Doxorubicin by Targeted Mesoporous Silica Nanoparticle Sensitizes Doxorubicin-Resistant Breast Cancer by Interfering between the MDR1/P-gp and miR 298 Crosstalk.

Multi drug resistance (MDR) in breast carcinoma still poses a significant impairment to successful chemotherapy. As the arsenal of anticancer agents increases with improved preclinical methods, the growth of therapeutic drug combinations is now unprecedented. The malignancies addressed by mono drugs often fail to limit cancer progression, resulting in resistant cancer, thereby offering combinatorial therapies a terrific edge over monodrug regimes. However, the selection of drug combinations required enough preliminary evidence for their synergistic effect. The fundamental mechanisms of MDR to chemotherapeutics are associated with the overexpression of membrane efflux pumps, alternations in drug targets, and increased drug metabolism. Unfortunately, it is very difficult for drugs to overcome resistance produced on their own or by another different drug action. In this context, herein, we report a simple delivery system for coencapsulation and intracellular codelivery of dual-drug thymoquinone (TQ) and doxorubicin (DOX) to resensitize DOX-resistant MDA MB231 cell line (231 R). The 231 R cell line developed in our lab showed an enhanced expression of the ATP-binding cassette (ABC) transporters P-gp1/MDR-1 and a declined miR-298 expression. The present delivery system is based on amine-functionalized mesoporous silica nanoparticles (MSNs), in which the side chain amine functional group was used to react with the carbonyl group of TQ, which acts as a pro-drug system (TQ-MSN) to release TQ and DOX simultaneously. DOX was encapsulated later into the above TQ-MSN by a simple diffusion method. The drugs containing MSNs were further coated with a hyaluronic acid-conjugated PEG-PLGA polymer (HA@TQ-DOX-MSN). This simple nanostrategy interferes with the MDR-1/miR-298 cross-talk, thereby allowing a significant reduction in drug efflux from the cell and highlighting a promising nanotechnology-based combinatorial delivery approach in managing breast cancer chemoresistance.

Solar power conversion: CuI hole transport layer and Ba3NCl3 absorber enable advanced solar cell technology boosting efficiency over 30.

Researchers are becoming more interested in novel barium-nitride-chloride (Ba3NCl3) hybrid perovskite solar cells (HPSCs) due to their remarkable semiconductor properties. An electron transport layer (ETL) built from TiO2 and a hole transport layer (HTL) made of CuI have been studied in Ba3NCl3-based single junction photovoltaic cells in a variety of variations. Through extensive numerical analysis using SCAPS-1D simulation software, we investigated elements such as layer thickness, defect density, doping concentration, interface defect density, carrier concentration, generation, recombination, temperature, series and shunt resistance, open circuit voltage (V OC), short circuit current (J SC), fill factor (FF), and power conversion efficiency (PCE). The study found that the HTL CuI design reached the highest PCE at 30.47% with a V OC of 1.0649 V, a J SC of 38.2609 mA cm-2, and an FF of 74.78%. These findings offer useful data and a practical plan for producing inexpensive, Ba3NCl3-based thin-film solar cells.

Numerical analysis and device modelling of a lead-free Sr3PI3/Sr3SbI3 double absorber solar cell for enhanced efficiency.

Halide perovskites are the most promising options for extremely efficient solar absorbers in the field of photovoltaic (PV) technology because of their remarkable optical qualities, increased efficiency, lightweight design, and affordability. This work examines the analysis of a dual-absorber solar device that uses Sr3SbI3 as the bottom absorber layer and Sr3PI3 as the top absorber layer of an inorganic perovskite through the SCAPS-1D platform. The device architecture includes ZnSe as the electron transport layer (ETL), while the active layer consists of Sr3PI3 and Sr3SbI3 with precise bandgap values. The bandgap value of Sr3SbI3 is 1.307 eV and Sr3PI3 is 1.258 eV. By employing double-graded materials of Sr3PI3/Sr3SbI3, the study achieves an optimized efficiency of up to 34.13% with a V OC of 1.09 V, FF of 87.29%, and J SC of 35.61 mA cm-2. The simulation explores the influence of absorber layer thickness, doping level, and defect density on electrical properties like efficiency, short-circuit current, open-circuit voltage, and fill factor. It also examines variations in temperature and assesses series and shunt resistances in addition to electrical factors. The simulation's output offers valuable insights and suggestions for designing and developing double-absorber solar cells.

Site-Selective Functionalization of Molecularly Imprinted Nanoparticles to Recognize Lysine-Rich Peptides.

Sequence-selective binding of peptides has been a long-standing goal of chemists. As one of the most abundant amino acids in proteins, lysine plays an important role in protein functions as well as in antimicrobial and cell-penetrating peptides. Herein, we report molecularly imprinted nanoparticles (NPs) with high sequence selectivity for lysine-rich peptides. The NPs are prepared from molecular imprinting of cross-linkable surfactant micelles and postmodification of the imprinted pockets by photoaffinity labeling. The method allows carboxylic acids to be installed precisely near the lysine amino side chains, greatly enhancing the binding strengths of lysine-rich peptides. Small variations in the peptide sequence can be distinguished, and the binding affinity correlates positively with the number of lysine groups in model tripeptides. The method applies to complex lysine-rich biological peptides, achieving hundreds of nanomolar binding affinities and excellent binding specificities.

Nanoparticles that Distinguish Chemical and Supramolecular Contexts of Lysine for Single-Site Functionalization of Protein.

Lysine is one of the most abundant residues on the surface of proteins and its site-selective functionalization is extremely challenging. The existing methods of functionalization rely on differential reactivities of lysine on a protein, making it impossible to label less reactive lysines selectively. We here report polymeric nanoparticles that mimic enzymes involved in the posttranslational modifications of proteins that distinguish the chemical and supramolecular contexts of a lysine and deliver the labeling reagent precisely to its ε amino group. The nanoparticles are prepared through molecular imprinting of cross-linkable surfactant micelles, plus an in situ, on-micelle derivatization of the peptide template prior to the imprinting. The procedures encode the polymeric nanoparticles with all the supramolecular information needed for sequence identification and precise labeling, allowing single-site functionalization of a predetermined lysine on the target protein in a mixture.

Design and Optimization of High-Performance Novel RbPbBr3-Based Solar Cells with Wide-Band-Gap S-Chalcogenide Electron Transport Layers (ETLs).

Inorganic cubic rubidium-lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium-lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D simulator. Initially, the band gap and optical performance were computed using DFT, and these results were utilized for the first time in the SCAPS-1D simulator. Furthermore, the impact of different major influencing parameters, that is, the thickness of the layer, bulk defect density, doping concentration, and defect density of interfaces, including the working temperature, were also investigated and unveiled. Further, a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative study of different reported heterostructures was performed to explore the benchmark of the most recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) was 29.75% for the SnS2 ETL with Voc of 0.9789 V, Jsc of 34.57863 mA cm-2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57% were obtained for In2S3 and WS2 ETLs, respectively. The electron-hole generation, recombination rates, and quantum efficiency (QE) characteristics were also investigated in detail. Thus, the SnS2 ETL shows strong potential for use in RbPbBr3-based hybrid perovskite high-performance photovoltaic devices.

Cell-penetrating protein-recognizing polymeric nanoparticles through dynamic covalent chemistry and double imprinting.

Molecular recognition of proteins is key to their biological functions and processes such as protein-protein interactions (PPIs). The large binding interface involved and an often relatively flat binding surface make the development of selective protein-binding materials extremely challenging. A general method is reported in this work to construct protein-binding polymeric nanoparticles from cross-linked surfactant micelles. Preparation involves first dynamic covalent chemistry that encodes signature surface lysines on a protein template. A double molecular imprinting procedure fixes the binding groups on the nanoparticle for these lysine groups, meanwhile creating a binding interface complementary to the protein in size, shape, and distribution of acidic groups on the surface. These water-soluble nanoparticles possess excellent specificities for target proteins and sufficient affinities to inhibit natural PPIs such as those between cytochrome c (Cytc) and cytochrome c oxidase (CcO). With the ability to enter cells through a combination of energy-dependent and -independent pathways, they intervene apoptosis by inhibiting the PPI between Cytc and the apoptotic protease activating factor-1 (APAF1). Generality of the preparation and the excellent molecular recognition of the materials have the potential to make them powerful tools to probe protein functions in vitro and in cellulo.

Exploration of anti-diabetic activity and metabolite profiling of Bruguiera cylindrica (l.) Bl.-in vivo anti-diabetic activity, exploration of molecular mechanism, and network pharmacological analysis.

INTRODUCTION: The Bruguiera cylindrica L. is a mangrove plant that is typically found in coastal areas of Asia, including India. It has been known for its medicinal properties, which have been utilized for generations. For example, in Thailand, it has been used to treat wounds and diarrhoea, while in India, it has been effective in addressing diabetes, ulcers, and other health issues. This particular study sought to investigate the potential of B. cylindrica bark extract in reducing the symptoms of diabetes in rats. METHODS: In this study, we examined the potential of B. cylindrica bark extract as an inhibitor of α-amylase and α-glucosidase enzymes in vitro. We also evaluated the effects of the extract and Metformin on rats fed high-fat diets and measured their lipid profiles and biochemical parameters. Furthermore, we conducted a network pharmacology analysis to identify proteins and pathways involved in the amelioration of diabetes. RESULTS: Through metabolite profiling, we identified 58 compounds in B. cylindrica hydroalcoholic extract. These compounds include alkaloids, phenolics, flavonoids, and fatty acids. The extract was found to have a dose-dependent inhibition activity against α-amylase and α-glucosidase, with IC50 values similar to acarbose. In rats, oral administration of 200-400 mg/kg of B. cylindrica led to reduced blood glucose levels and normalized serum biochemical parameters. CONCLUSIONS: Bruguiera cylindrica bark may reduce blood sugar levels in rats with diabetes. The study found metabolites that interact with protein targets associated with different types of diabetes.

Synthetic Catalysts for Selective Glycan Cleavage from Glycoproteins and Cells.

In situ modification of glycans requires extraordinary molecular recognition of highly complex and subtly different carbohydrates, followed by reactions at precise locations on the substrate. We here report synthetic catalysts that under physiological conditions cleave a predetermined oligosaccharide block such as a branched trimannose or the entire N-glycan of a glycoprotein, while nontargeted glycoproteins stay intact. The method also allows α2-6-sialylated galactosides to be removed preferentially over the α2-3-linked ones from cell surfaces, highlighting the potential of these synthetic glycosidases for glycan editing.

Genetic assessment of captive breeding program of Indian Pangolin: implications for conservation and management.

BACKGROUND: Captive breeding programs play a vital role in conservation of threatened species, necessitating an understanding of genetic diversity among captive individuals to ensure long-term genetic viability, appropriate mate selection, and successful reintroduction to native habitats. METHODS AND RESULTS: We did not observe any recent genetic bottleneck, and population showed moderate genetic diversity. The estimated effective population size, representing individuals capable of contributing genetically to future generations, was estimated as 18.6 individuals (11.4-35.1 at 95% CI). Based on the genetic make-up and allelic diversity, we found seventeen pangolins (11 females and 6 males) were genetically unrelated and relatively more potent than others. CONCLUSION: In this study, we evaluated the captive breeding program of the Indian pangolin population at the Pangolin Conservation Breeding Centre in Nandankanan Zoological Park, Bhubaneswar, Odisha. We highlight the significance of genetic monitoring within the captive population of Indian pangolin for preserving genetic diversity and ensuring the long-term survival of the species. We established the genetic profiles of all 29 pangolins and identified 17 pangolins to be prioritized for enhanced breeding and future zoo exchange programs. We appreciate the zoo authorities for promoting genetic assessment of pangolin for better and more effective monitoring of the captive breeding of the endangered Indian pangolin.

Effect of salt, alkali and combined stresses on root system architecture and ion profiling in a diverse panel of oat (Avena spp.).

The co-occurrence of salinisation and alkalisation is quite frequent in problematic soils and poses an immediate threat to food, feed and nutritional security. In the present study, root system architectural traits (RSAs) and ion profiling were evaluated in 21 genotypes of Avena species to understand the effect of salinity-alkalinity stress. The oat genotypes were grown on germination paper and 5-day-old seedlings were transferred to a hydroponic system for up to 30days. These seedlings were subjected to seven treatments: T0 , treatment control (Hoagland solution); T1 , moderate salinity (50mM); T2 , high salinity (100mM); T3 , moderate alkalinity (15mM); T4 , high alkalinity (30mM); T5 , combined moderate salinity-alkalinity (50mM+15mM); and T6 , combined high salinity-alkalinity (100mM and 30mM) by using NaCl+Na2 SO4 (saline) and NaHCO3 +Na2 CO3 (alkaline) salts equivalently. The root traits, such as total root area (TRA), total root length (TRL), total root diameter (TRD), total root volume (TRV), root tips (RT), root segments (RS), root fork (RF) and root biomass (RB) were found to be statistically significant (P + and K+ content analysis in root and shoot tissues revealed the ion homeostasis capacity of different Avena accessions under stress treatments. Principal component analysis (PCA) covered almost 83.0% of genetic variation and revealed that the sharing of TRA, RT, RS and RF traits was significantly high. Biplot analysis showed a highly significant correlation matrix (P <0.01) between the pairs of RT and RS, TRL and RS, and RT and RF. Based on PCA ranking and relative value for stress tolerance, IG-20-1183, IG-20-894, IG-20-718 and IG-20-425 expressed tolerance to salinity (T2), IG-20-425 (alkalinity; T4) and IG-20-1183, IG-20-894 and IG-20-1004 were tolerant to salt-alkali treatment (T6). Multi-trait stability index (MTSI) analysis identified three stable oat genotypes (IG-20-714, IG-20-894 and IG-20-425) under multiple environments and these lines can be used in salinity-alkalinity affected areas after yield trials or as donor lines for combined stresses in future breeding programs.

Boosting efficiency above 28% using effective charge transport layer with Sr3SbI3 based novel inorganic perovskite.

Strontium antimony iodide (Sr3SbI3) is one of the emerging absorbers materials owing to its intriguing structural, electronic, and optical properties for efficient and cost-effective solar cell applications. A comprehensive investigation on the structural, optical, and electronic characterization of Sr3SbI3 and its subsequent applications in heterostructure solar cells have been studied theoretically. Initially, the optoelectronic parameters of the novel Sr3SbI3 absorber, and the possible electron transport layer (ETL) of tin sulfide (SnS2), zinc sulfide (ZnS), and indium sulfide (In2S3) including various interface layers were obtained by DFT study. Afterward, the photovoltaic (PV) performance of Sr3SbI3 absorber-based cell structures with SnS2, ZnS, and In2S3 as ETLs were systematically investigated at varying layer thickness, defect density bulk, doping density, interface density of active materials including working temperature, and thereby, optimized PV parameters were achieved using SCAPS-1D simulator. Additionally, the quantum efficiency (QE), current density-voltage (J-V), and generation and recombination rates of photocarriers were determined. The maximum power conversion efficiency (PCE) of 28.05% with JSC of 34.67 mA cm-2, FF of 87.31%, VOC of 0.93 V for SnS2 ETL was obtained with Al/FTO/SnS2/Sr3SbI3/Ni structure, while the PCE of 24.33%, and 18.40% in ZnS and In2S3 ETLs heterostructures, respectively. The findings of this study contribute to in-depth understanding of the physical, electronic, and optical properties of Sr3SbI3 absorber perovskite and SnS2, ZnS, and In2S3 ETLs. Additionally, it provides valuable insights into the potential of Sr3SbI3 in heterostructure perovskite solar cells (PSCs), paving the pathway for further experimental design of an efficient and stable PSC devices.

Rice residue promotes mobilisation and plant acquisition of soil phosphorus under wheat (Triticum aestivum)-rice (Oryza sativa) cropping sequence in a semi-arid Inceptisol.

Disposal of significant tonnages of rice straw is expensive, but using it to mobilise phosphorus (P) from inorganically fixed pools in the soil may add value. This study was carried out to determine whether the use of rice straw mixed with phosphorus-solubilizing microbes could solubilize a sizable portion fixed soil P and affect P transformation, silicon (Si) concentration, organic acid concentrations, and enzyme activity to increase plant growth. Depending on the soil temperature, the application of rice straw at 12 Mg ha-1 with phosphorus-solubilizing microbes could solubilize 3.4-3.6% of inorganic P, and minimised the hysteresis impact by 6-8%. At plant maturity, application of rice straw at 12 Mg ha-1 with phosphorus-solubilizing microbes and 75% of recommended P application raised the activity of dehydrogenase, alkaline phosphatase activity, cellulase, and peroxidase by 77, 65, 87, and 82% in soil, respectively. It also boosted Si concentration in the soil by 58%. Wheat grain yield was 40% and 18% higher under rice straw at 12 Mg ha-1 with phosphorus-solubilizing microbes with 75% of recommended P application than under no and 100% P application, respectively. Rice grain yield also increased significantly with the same treatment. Additionally, it increased root volume, length, and P uptake by 2.38, 1.74 and 1.62-times above control for wheat and 1.98, 1.67, and 2.06-times above control for rice, respectively. According to path analysis, P solubilisation by Si and organic acids considerably increased (18-32%) P availability in the rhizosphere. Therefore, cultivators could be advised to use rice straw at 12 Mg ha-1 with phosphorus-solubilizing microbes with 75% P of mineral P fertiliser to save 25% P fertiliser without reducing wheat and rice yield.

Inorganic novel cubic halide perovskite Sr3AsI3: Strain-activated electronic and optical properties.

In recent years, inorganic perovskite materials have attracted a lot of attention in the field of solar technology due to their exceptional structural, optical, and electronic properties. This study thoroughly investigated, using first-principles density-functional theory (FP-DFT), the impact of compressive and tensile strain on the structural, optical, and electrical properties of the inorganic cubic perovskite Sr3AsI3. The unstrained planar Sr3AsI3 molecule exhibits a direct bandgap of 1.265 eV value at Γ point. The bandgap of the Sr3AsI3 perovskite is lowered to 1.212 eV when the relativistic spin-orbital coupling (SOC) effect is subjected in the observations. In addition, the structure's bandgap exhibits a falling prevalence due to compressive strain and a slight rise due to tensile strain. The optical indicators such as dielectric functions, absorption coefficient, reflectivity, and electron loss function show that this component has a great ability to absorb in the visible range in accordance with band characteristics. When compressive strain is raised, it is discovered that the spikes of the dielectric constant of Sr3AsI3 move to lower photon energy (redshift), and conversely, while growing tensile strain, it exhibits increased photon energy changing behavior (blueshift). As a result, the Sr3AsI3 perovskite is regarded as being ideal for use in solar cells for the production of electricity and light management.

All-inorganic perovskite photovoltaics for power conversion efficiency of 31.

The lead-free perovskite halides emerge as the great alternative for highly efficient and environment friendly photovoltaics due to the inherent optoelectronic properties. In this paper, the numerical study of all-inorganic regular n-i-p structured perovskite photovoltaics using solar cells capacitance simulator (SCAPS-1D) has been performed. The optimised device structure using rGO provided best performance compared to the other hole transport layers (HTLs) like CuI, CuSCN, Cu2O, NiO, WSe2, MoO3 with CsSnI3 as an active material and TiO2 as electron transport layer (ETL). Furthermore, WS2 as an ETL compared to TiO2, Li-TiO2, ZnO, Al-ZnO, etc. provided the best performance with rGO as HTL and CsSnI3 as active material. Therefore, the optimized solar cell structure (FTO/WS2/CsSnI3/rGO/Pt) showed best photovoltaic performance with power conversion efficiency (PCE) of 31%, fill factor (FF) of 88.48%, open circuit voltage (VOC) of 1.15 V, and short circuit current density (JSC) of 30.47 mA/cm2, respectively. Consequently, the effect of variation of temperature, thickness, defect density, doping density of active layer and variation of illumination intensity on the photovoltaic performance of the optimised device are also analysed. Furthermore, this study is also focused on the analysis of photovoltaic parameters for the optimized structure using concept of ideality factor associated with the illumination intensity. Therefore, this analysis suggests a route for further development of all-inorganic, lead-free perovskite photovoltaics experimentally with improved photovoltaic performance.

A mechanistic insight into the potential anti-cancerous property of Nigella sativa on breast cancer through micro-RNA regulation: An in vitro & in vivo study.

Cancer continues to threat mortal alongside scientific community with burgeoning grasp. Most efforts directed to tame Cancer such as radiotherapy or chemotherapy, all came at a cost of severe side effects. The plant derived bioactive compounds on the other hand carries an inevitable advantage of being safer, bioavailable & less toxic compared to contemporary chemotherapeutics. Our strategic approach employed solvent extraction of Black Seed Oil (BSO) to highlight the orchestrated use of its oil soluble phytochemicals - Thymoquinone, Carvacrol & Trans-Anethole when used in cohort. These anti-cancer agents in unbelievably modest amounts present in BSO shows better potential to delineate migratory properties in breast cancer cells as compared to when treated individually. BSO was also observed to have apoptotic calibre when investigated in MDA-MB-231 and MCF-7 cell lines. We performed chemical characterization of the individual phytochemical as well as the oil in-whole to demonstrate the bioactive oil-soluble entities present in whole extract. BSO was observed to have significant anti-cancerous properties in cumulative proportion that is reportedly higher than the individual three components. Besides, this study also reports micro-RNA regulation on BSO administration, thereby playing a pivotal role in breast cancer alleviation. Thus, synergistic action of the integrants serves better combat force against breast cancer in the form of whole extract, hence aiming at a more lucrative paradigm while significantly regulating microRNAs associated with breast cancer migration and apoptosis.