Chloroplast genome of Ecbolium viride (Forssk.) Alston: plastome evolution and phylogenomics of Justiceae (Acanthaceae, Acanthoideae).

Justicieae is the most taxonomically complex tribe in Acanthaceae. Here, we sequenced the plastome of Ecbolium viride, a medicinally important species. The genome was analyzed with previously reported plastome of Justiceae. The plastome of E. viride has quadripartite structure with a length of 151 185 bp. The comparative genomic analyses revealed no structural inversion in Justiceae and some regions (rpoC2, ycf2, ycf1, ndhH rps16-trnQ-UGG, and trnL-CAA-ycf15) exhibiting a significant level of nucleotide divergence. The positive selection analyses revealed that some species in the tribe have undergone adaptive evolution. The visualization of the boundaries between the single copy and inverted repeat regions revealed that Justiceae chloroplast genome experienced some levels of variation, which give an insight into the evolution of the species. The longest genome was in the earliest diverged taxa of the tribe Pseuderanthemum haikangense and from this genome, a series of contraction and expansion occurred contributing to the evolution of other lineages. The plastome-based phylogeny revealed and confirmed the monophyly of Justiceae, polyphyly of Justicia and supported the tribal classification Graptophyllinae, Tetrameriinae, and Isoglossinae. We proposed that Declipterinae should be treated as subtribe and the status of Justiciinae can only be confirmed after the resolution of the polyphyletic Justicia.

Trends in botanical exploration in Nigeria forecast over 1000 yet undescribed vascular plant species.

BACKGROUND AND AIMS: Taxonomists are primary actors of biodiversity assessment. At the same time, there is awareness by the taxonomic community at large that the field is going through a crisis, sometimes referred to as the "taxonomic impediment". Coupled with the ongoing biodiversity crisis, or 6 th mass extinction, this biodiversity impedance puts at risk the target set in the Convention on Biological Diversity's Global Biodiversity Framework vision 2050, which calls for urgent action to "…put biodiversity on a path to recovery by 2030 for the benefit of planet and people". This risk is particularly pronounced in tropical African countries where taxonomic studies are done on an ad hoc basis. In this study, our aim is to investigate the historical trends in botanical exploration of vascular plants in Nigeria and forecast the near-term (50 year) description of presently unknown species, which we use to discuss scenarios of taxonomic effort that may be necessary for a comprehensive biodiversity assessment in the country. METHODS: The study is based on a dataset from the World Checklist of Vascular Plants (WCVP), containing all vascular plant species reported to occur in Nigeria. We fit nested Bayesian time series regressions to estimate the long-term trend in the rate of description of vascular plant species in Nigeria. From these models, we use an ensemble forecast to estimate the number of species descriptions by the year 2070, and then evaluate the description rates per taxonomist required to meet this estimate under different totals of active taxonomists. KEY RESULTS: We find a striking difference in species description between Nigerian botanists and their foreign counterparts, with the former contributing relatively small numbers. Additionally, only a fraction of the authors involved in describing Nigeria's vascular plants are of indigenous origin. Our study reveals that the number of new species described annually exhibits a long-term increasing trend, with an average of 19.5 species described per year. However, after taking into account year-to-year variability and the number of taxonomists active in a given year, the long-term trend in species descriptions credibly declines over time. While the number of authors involved in describing species has generally increased over time, it remained stable since the 1950s. Predictions for the number of new species descriptions by 2070 vary by model, with an ensemble prediction estimating 1140 species descriptions, but ranging from 1004 to 2239 between individual models. CONCLUSIONS: The study estimates that current levels of taxonomic activity should lead to a 20% increase in known species of vascular plants in Nigeria over the next 50 years, which is still likely an underestimate of the true, unknown species richness. Urgent action is needed to address the taxonomic impediment so that local taxonomic studies in tropical African countries can achieve the CBD's Global Biodiversity Framework vision 2050. Here, we outline some key pathways to achieving this goal.

Computational Study of Elastic, Structural, Electronic, and Optical Properties of GaMF3 (M = Be and Ge) Fluoroperovskites, Based on Density Functional Theory.

This paper explains our first-principle computational investigation regarding the structural, optical, elastic, and electrical characteristics of gallium-based GaMF3 (M = Be and Ge) perovskite-type (halide-perovskite) compounds. Our current computation is based on density functional theory (DFT) and is achieved with the help of the WIEN2k code. We used the Birch-Murnaghan equation for optimization; in both compounds, we found that both GaBeF3 and GaGeF3 compounds are structurally stable. For the computation of elastic characteristics, the IRelast package for calculating elastic constants (ECs) is utilized. These compounds are mechanically ductile, scratch-resistant, anisotropic, and mechanically stable, showing huge opposition to plastic strain. The modified Becke-Johnson (TB-mBJ) potential approximation method is used to calculate different physical characteristics and shows that GaGeF3 behaves as a metal, whereas the GaBeF3 compound is insulating in nature. The involvement of various electronic states in band structures is calculated using the theory of the density of states. The different optical properties of these compounds can be studied easily using their band gap energy. At high energy ranges, these substances demonstrate strong absorption. At low energies, the GaGeF3 compound is transparent, while the GaBeF3 compound is opaque to incoming photons. Investigation of the optical characteristics has led us to the conclusion that both GaGeF3 and GaBeF3 compounds can be used for high-frequency ultraviolet device applications. This computational work is considered to be the first time that we can study these compounds, which to our knowledge have not previously been experimentally validated.

Diversity and determinants of traditional water conservation technologies in the Eastern Cape Province, South Africa.

Water scarcity remains a major threat to most rural areas in Africa due to heavy reliance on rainfed agriculture. This prompts the need to document and understand the determinants of traditional knowledge of water conservation practices. Our aim here is to document and identify the determinants of people's knowledge of traditional knowledge of water conservation in the South Africa's Eastern Cape province. A mixed research method was used. Purposive approach was used to collect data, i.e., elderly people were targeted during the face-to-face pre-COVID-19 pandemic interviews on the basis that traditional knowledge increases with age. However, people of different age groups were also included in the study especially when we employed only online questionnaire during the pandemic. We used questionnaire to collect all the data, and 93 people responded in total to our questions. We documented 10 traditional water conservation technologies. We identified rainfall variation, water quality issues, and increased water demand as the major challenges linked to these technologies, while easy access and the amount of water harvested are reported as benefits of these technologies. We found that traditional knowledge is not influenced by age (ß = -0.006 ± 0.01, P = 0.64) or gender (ß = -0.16 ± 0.25, P = 0.64) but rather correlates positively with geographic location, irrespective of the starting point of the distance measurement (distance from Port Elizabeth city: ß = 0.002 ± 0.0008, P = 0.004; distance from Ngqushwa village: ß = 0.0024 ± 0.0009, P = 0.008). Counterintuitively, formally educated people tend to have more traditional knowledge, but this is likely linked to the modern technologies (online survey and social media platforms) used to collect data during the COVID-19 pandemic. We suggest that traditional knowledge that has sustained life for centuries in rural communities must be integrated into water resource management to address water scarcity issues in rural Africa.

Preserving the tree of life of the fish family Cyprinidae in Africa in the face of the ongoing extinction crisis 1.

Our understanding of how the phylogenetic tree of fishes might be affected by the ongoing extinction risk is poor. This is due to the unavailability of comprehensive DNA data, especially for many African lineages. In addition, the ongoing taxonomic confusion within some lineages, e.g., Cyprinidae, makes it difficult to contribute to the debate on how the fish tree of life might be shaped by extinction. Here, we combine COI sequences and taxonomic information to assemble a fully sampled phylogeny of the African Cyprinidae and investigate whether we might lose more phylogenetic diversity (PD) than expected if currently threatened species go extinct. We found evidence for phylogenetic signal in extinction risk, suggesting that some lineages might be at higher risk than others. Based on simulated extinctions, we found that the loss of all threatened species, which approximates 37% of total PD, would lead to a greater loss of PD than expected, although highly evolutionarily distinct species are not particularly at risk. Pending the reconstruction of an improved multi-gene phylogeny, our results suggest that prioritizing high-EDGE species (evolutionary distinct and globally endangered species) in conservation programmes, particularly in some geographic regions, would contribute significantly to safeguarding the tree of life of the African Cyprinidae.

Phylogenetically diverse native systems are more resistant to invasive plant species on Robben Island, South Africa 1.

Alien invasive species are problematic both economically and ecologically, particularly on islands. As such, understanding how they interact with their environment is necessary to inform invasive species management. Here, we ask the following questions: What are the main functional traits that correlate with invasion success of alien plants on Robben Island? How does phylogenetic structure shape biotic interactions on the island? Using multiple approaches to explore these questions, we found that alien invasive species flower later during the year and for longer period, although flowering phenology was sensitive to alternative starting date. Additionally, we observed that alien invasive species are mostly abiotically pollinated and are generally hermaphroditic whilst their native counterparts rely on biotic pollinators, flower earlier, and are generally dioecious, suggesting that alien invasive and native species use different ecological niches. Furthermore, we found a facilitative interaction between an alien invasive legume and other invasive plants as predicted by the invasional meltdown hypothesis, but this does not influence the phylogenetic structure of plant communities. Finally, phylogenetically diverse set of native species are less receptive to alien invasive species. Collectively, our findings reveal how biotic interactions and phylogenetic relatedness structure alien invasive - native co-existence.

Effective antioxidant, antimicrobial and anticancer activities of essential oils of horticultural aromatic crops in northern Egypt.

BACKGROUND: Identifying ornamental plants as new natural antioxidant and antimicrobial sources is always of great importance for the ornamental and horticultural industries. METHODS: The antimicrobial activities of leaves and fruits peel essential oils of twelve ornamental and horticultural crops were determined by screening against wide spectrum of fungi and bacteria, and their respective in vitro antioxidant capacity was evaluated. Furthermore, the anticancer activities against several cancer cells, and one normal human cell line (HEK-293) were examined. RESULTS: Origanum vulgare L. essential oil showed the best antioxidant, antibacterial and anticancer activities compared to screened crops by means of the DPPH and linoleic acid assays for antioxidants, MIC and MBC values for antibacterial activities and IC50 for antiproliferative activities. Such important activities in O. vulgare was attributed to high pulegone ratio (77.45%) as revealed by the GC/MS assay. Rosmarinus officinallis L. essential oil showed the highest antifungal activities by means of lowest MIC and MFC values which might be attributed to 1, 8-cineole (19.60%), camphor (17.01%) and α-pinene (15.12%). CONCLUSION: We suggest that oxygenated monoterpenes (i.e. linalool, terpinen-4-ol and pulegone) and monoterpene hydrocarbons play an important role in the essential oil antioxidant, antibacterial, antifungal and anticancer activities of diverse Egyptian ornamental and horticultural crops. Some species showed bioactivities similar to standards compounds and might be suitable for pharmaceutical and food industries.

Testing the reliability of standard and complementary DNA barcodes for the monocot subfamily Alooideae from South Africa.

Although a standard DNA barcode has been identified for plants, it does not always provide species-level specimen identifications for investigating important ecological questions. In this study, we assessed the species-level discriminatory power of standard (rbcLa + matK) and complementary barcodes (ITS1 and trnH-psbA) within the subfamily Alooideae (Asphodelaceae), a large and recent plant radiation, whose species are important in horticulture yet are threatened. Alooideae has its centre of endemism in southern Africa, with some outlier species occurring elsewhere in Africa and Madagascar. We sampled 360 specimens representing 235 species within all 11 genera of the subfamily. With three distance-based methods, all markers performed poorly for our combined data set, with the highest proportion of correct species-level specimen identifications (30%) found for ITS1. However, when performance was assessed across genera, the discriminatory power varied from 0% for all single markers and combinations in Gasteria to 63% in Haworthiopsis, again for ITS1, suggesting that DNA barcoding success may be related to the evolutionary history of the lineage considered. Although ITS1 could be a good barcode for Haworthiopsis, the generally poor performance of all markers suggests that Alooideae remains a challenge. As species boundaries within Alooideae remain controversial, we call for continued search for suitable markers or the use of genomics approaches to further explore species discrimination in the group.

Enhancement of Calibrachoa growth, secondary metabolites and bioactivity using seaweed extracts.

BACKGROUND: Calibrachoa x hybrida (Solanaceae) cultivars are widely used in North and South America as ornamental plants. Their potential as a source of antimicrobial compounds might be enhanced by seaweed extract (SWE) applications. METHODS: SWE of Ascophyllum nodosum were applied at 5 and 7 ml/L as a soil drench or foliar spray on Calibrachoa cultivars of Superbells® 'Dreamsicle' (CHSD) and Superbells® 'Frost Fire' (CHSF). The total phenolics, tannins and antioxidants composition as well as specific flavonols in leaf extracts were determined. Further, the chemical composition of SWE was assessed. RESULTS: The drench and foliar SWE treatments significantly enhanced Calibrachoa cultivars leaf number and area, dry weight, plant height, antioxidant capacity as well as phenolic, flavonols and tannin content. The increased growth and composition of phenols, flavonols and tannins was attributed to the stimulatory effects of SWE mineral composition. The antifungal activity of Calibrachoa cultivars was significantly enhanced following SWE treatments and the minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) were in the range of 0.07-0.31 mg/ml and from 0.16 to 0.56 mg/ml, respectively. Moreover, antibacterial activity was significantly increased and the MIC and minimum bactericidal concentration (MBC) measurements were in the range of 0.06-0.23 mg/ml and from 0.10 to 0.44 mg/ml, respectively. The most sensitive fungus to SWE treatments was C. albicans and the most sensitive bacterium was E. cloacae. CONCLUSION: The results suggest that enhanced antifungal and antibacterial activities might be attributed to significant increases of phenolic, flavonols and tannin contents, which ultimately enhance the potential of Calibrachoa as a natural source of alternative antibiotics.

Savanna fire and the origins of the 'underground forests' of Africa.

The origin of fire-adapted lineages is a long-standing question in ecology. Although phylogeny can provide a significant contribution to the ongoing debate, its use has been precluded by the lack of comprehensive DNA data. Here, we focus on the 'underground trees' (=geoxyles) of southern Africa, one of the most distinctive growth forms characteristic of fire-prone savannas. We placed geoxyles within the most comprehensive dated phylogeny for the regional flora comprising over 1400 woody species. Using this phylogeny, we tested whether African geoxyles evolved concomitantly with those of the South American cerrado and used their phylogenetic position to date the appearance of humid savannas. We found multiple independent origins of the geoxyle life-form mostly from the Pliocene, a period consistent with the origin of cerrado, with the majority of divergences occurring within the last 2 million yr. When contrasted with their tree relatives, geoxyles occur in regions characterized by higher rainfall and greater fire frequency. Our results indicate that the geoxylic growth form may have evolved in response to the interactive effects of frequent fires and high precipitation. As such, geoxyles may be regarded as markers of fire-maintained savannas occurring in climates suitable for forests.

Revisiting the impacts of non-random extinction on the tree-of-life.

The tree-of-life represents the diversity of living organisms. Species extinction and the concomitant loss of branches from the tree-of-life is therefore a major conservation concern. There is increasing evidence indicating that extinction is phylogenetically non-random, such that if one species is vulnerable to extinction so too are its close relatives. However, the impact of non-random extinctions on the tree-of-life has been a matter of recent debate. Here, we combine simulations with empirical data on extinction risk in mammals. We demonstrate that phylogenetically clustered extinction leads to a disproportionate loss of branches from the tree-of-life, but that the loss of their summed lengths is indistinguishable from random extinction. We argue that under a speciational model of evolution, the number of branches lost might be of equal or greater consequences than the loss of summed branch lengths. We therefore suggest that the impact of non-random extinction on the tree-of-life may have been underestimated.

The Patterns of Intraspecific Variations in Mass of Nectar Sugar along a Phylogeny Distinguish Native from Non-Native Plants in Urban Greenspaces in Southern England.

To serve human needs, non-native species are selected based on an array of functional traits, which generally confer competitive advantages to these species in their recipient environments. Identifying non-obvious functional traits that indirectly inform human selection of non-natives to introduce into urban greenspaces is not yet part of common discussions in invasion biology. We tested whether functional traits integrated within a phylogenetic framework, may reveal those subtle criteria underlying the introduction of non-native plants into urban greenspaces. We found no differences in terms of functional traits between natives and non-natives. We also found no evidence that functional traits predict nectar production, irrespective of how nectar production was measured. Finally, we found that the mean sugar concentration of nectar per flower is evolutionarily shared both within closely related non-native plants as well as within close native plants. However, phylogenetically close species share similar intraspecific variation in mass of nectar sugar per flower, but this is true only for non-native plants, thus revealing a non-obvious selection criteria of non-native plants for urban greenspaces. Our results indicate that the phylogenetic patterns of intraspecific variation in mass of nectar sugar per flower is the major criterion distinguishing non-natives from native plants in urban greenspaces in Southern England.

Traditional Wild Food Plants Gathered by Ethnic Groups Living in Semi-Arid Region of Punjab, Pakistan.

Wild edible food plants (WFPs) are valuable resources in the traditional food systems of many local cultures worldwide, particularly in underdeveloped regions. Understanding patterns of food preferences requires conducting cross-cultural food studies among various ethnic groups in a specific area. In this context, the current study aimed to record WFP use among five ethnic groups in Punjab, Pakistan, by interviewing 175 informants selected through snowball sampling. The indicator food species for different ethnic groups were calculated using indicator analysis based on the percentage of citations. A total of 71 wild food plants (WFPs) belonging to 57 genera and 27 families were observed in the study area. A high proportion of these wild food plants (WFPs) belonged to Fabaceae with eleven species (15%), followed by Moraceae with seven species (9%). Fruits were most widely used (43%), followed by leaves (19%), and shoots (16%). The majority (35 species, 49%) of plants of WFPs were eaten as cooked vegetables. A cross-cultural comparison revealed that four species overlapped among five ethnic groups (Arain, Jutt, Rajpot, Mewati, and Dogar). The Arain ethnic group gathered and consumed a remarkable number of wild plants (35 species), possibly due to a special connection with the general abundance of the local flora, and being close to nature by adopting professions more allied to WFPs in the study area. The analysis of indicator species revealed distinct significant indicator values (p ≤ 0.05) between the main food species among the various ethnic groups. Amaranthus viridis was a common indicator of food in all five ethnic groups, while Ziziphus nammularia was a common indicator food plant of the Mewati, Rajpot, and Jutt ethnic groups; these plants are important in local diets, especially during times of food scarcity brought on by disease or drought. In addition, the current study reports 20 WFPs that have been rarely documented as human food in Pakistan's ethnobotanical literature. Future development plans should consider biocultural heritage and pay appropriate attention to local ecological knowledge, dynamics, and historical exchanges of traditional food systems.

Testing the expectancy-disconfirmation theory: Geography, employment status and household size of local communities determine their perspectives of a local mine business in South Africa.

Local communities' perspectives on mining businesses are a matter of endless debate, particularly in developing countries. If misunderstood or mismanaged by authorities (local and national), these perspectives may lead to violent and deadly reactions, which are unaffordable given the tremendous contribution of mining businesses to socio-economic development. The recurrence of these violent events means that authorities and mining businesses may have been failing to understand the dynamic of local people's expectations. Here, to explain the complexity of the interactions of local people with mine businesses, we collected socio-economic data along with data on people's satisfaction levels towards the services delivered by a local mining business in the Mose Kotane Local Municipality in South Africa. Data collected were analyzed by fitting a Structural Equation Model (SEM). We found that only 4-8% of communities' expectations were met by the local mine business, and that closest communities to the mine do not benefit significantly more services than away-communities (Chi-square = 2.71, df = 4, P = 0.60). However, the proportion of moderately satisfied people (in relation to the services delivered by the mine) tends to increase when moving away from the mine while the proportion of dissatisfied people decreases. Our SEM, linking socio-economic data to communities' perspectives, shows a good fit (Fisher C value = 0; P = 1.00, n = 158). In communities away from the mine, residents who were initially happy about the establishment of the mining business tend to be satisfied with the services delivered by the mine (ß = 2.69±0.41, P<0.001) but these residents are likely to be employed people (P<0.05). In communities close to the mine, large-sized households tend to be satisfied with the mine-delivered services (P = 0.04). This is potentially due to the fact that a large household is more likely to have at least one person working for the mine. Collectively, these findings reveal how socio-economic variables determine people's perspectives on the mining business.

The Complete Chloroplast Genome of Hypoestes forskaolii (Vahl) R.Br: Insights into Comparative and Phylogenetic Analyses within the Tribe Justiceae.

Hypoestes forskaolii is one of the most important species of the family Acanthaceae, known for its high economic and medicinal importance. It is well distributed in the Arab region as well as on the African continent. Previous studies on ethnomedicine have reported that H. forskaolii has an anti-parasitic effect as well as antimalarial and anthelmintic activities. Previous studies mainly focused on the ethnomedicinal properties, hence, there is no information on the genomic architecture and phylogenetic positions of the species within the tribe Justiceae. The tribe Justicieae is the most taxonomically difficult taxon in Acanthoideae due to its unresolved infratribal classification. Therefore, by sequencing the complete chloroplast genome (cp genome) of H. forskaolii, we explored the evolutionary patterns of the cp genome and reconstructed the phylogeny of Justiceae. The cp genome is quadripartite and circular in structure and has a length of 151,142 bp. There are 130 genes (86 coding for protein, 36 coding for tRNA and 8 coding for rRNA) present in the plastome. Analyses of long repeats showed only three types of repeats: forward, palindromic and reverse were present in the genome. Microsatellites analysis revealed 134 microsatellites in the cp genome with mononucleotides having the highest frequency. Comparative analyses within Justiceae showed that genomes structure and gene contents were highly conserved but there is a slight distinction in the location of the genes in the inverted repeat and single copy junctions. Additionally, it was discovered that the cp genome includes variable hotspots that can be utilized as DNA barcodes and tools for determining evolutionary relationships in the Justiceae. These regions include: atpH-atpI, trnK-rps16, atpB-rbcL, trnT-trnL, psbI-trnS, matK, trnH-psbA, and ndhD. The Bayesian inference phylogenetic tree showed that H. forskaolii is a sister to the Dicliptra clade and belongs to Diclipterinae. The result also confirms the polyphyly of Justicia and inclusion of Diclipterinae within justicioid. This research has revealed the phylogenetic position of H. forskaolii and also reported the resources that can be used for evolutionary and phylogenetic studies of the species and the Justicieae.

Sizes of atmospheric particulate matters determine the outcomes of their interactions with rainfall processes.

Environmental sustainability remains at risk, given the coupled trends of economic development with air pollution. The risk is even greater in the water-stressed world, given the potential suppression effects of air pollutants on rain formation. Here, since these suppression effects remain debated, we tested the hypothesis that air pollutants suppress rainfall in the water-stressed South Africa. This was done by fitting generalized linear models to a 21-year historical dataset of rainfall and air pollutants. We found that some gaseous pollutants and PM10 show a significant negative correlation with rainfall, perhaps due to the temperature inversion they cause, which might prevent the upward rise of humid air and convective clouds to grow high enough to produce rain. Surprisingly, as opposed to PM10, we found a rather positive significant effect of PM2.5. Altogether, our study supports the hypothesis of rain prevention by pollutants but provides some nuances that are dependent on the size of air particle matters. To achieve environmental sustainability while growing the economy, we can only rely on emission purification technologies to strike this trade-off.

Household Pharmaceutical Waste Management Practices in the Johannesburg Area, South Africa.

Pharmaceutical wastes are expected to increase given the increasing population growth rates and rapidly rising economic burden of human diseases. This challenge calls for appropriate measures for the management of such hazardous wastes. The purpose of this survey was to document and investigate existing practices for the handling, storage, and disposal of household pharmaceutical wastes (HPWs) in the Johannesburg area. Primary data were collected via online surveys with self-administered questionnaires completed by respondents. The research found that 77% (n = 286) of respondents claimed some knowledge about HPWs. Types of medicines that contributed to HPWs included painkillers or analgesics (73%, n = 270) and drugs for treating colds and flu-related illnesses (52%; n = 193). Although there were a few exceptions, the respondents generally exhibited strong disagreements with environmentally unfriendly and health-threatening disposal practices. Moreover, most participants were willing to return expired medicines to pharmacies (40.7%, n = 151), whereas only 8.6% (n = 32) opposed this solution. Awareness levels tended to vary with employment status, educational qualifications, and place of residence. However, place of residence and household size did not correlate with types of pharmaceutical waste. Additionally, the study found that education attainments significantly influenced the willingness of respondents to return pharmaceutical wastes. Finally, there were no significant differences amongst respondents in terms of waste disposal practices. Altogether, the findings suggest the need for targeted efforts to bring about sustainable waste management at a household level.

Theoretical Investigations into the Different Properties of Al-Based Fluoroperovskite AlMF3 (M = Cr, B) Compounds by the TB-MBJ Potential Method.

Al-based fluoroperovskites compounds AlMF3 (M = Cr, B) are investigated computationally and calculated their elastic, structural, optical, and electrical properties in this study utilising TB-MBJ potential (also GGA+U for AlCrF3) approximations, according to the Birch Murnaghan Equation curve and tolerance factor, these material are structurally cubic and stable. The IRelast algorithm is used to forecast elastic properties, and the outputs show that these compound are mechanically stable, anisotropic and ductile. AlBF3 has a metallic nature and overlapping states, while AlCrF3 have a narrow indirect band gap at (X-M) points of symmetry, with band gaps of 0.71 eV for AlCrF3 and zero eV for AlBF3. The partial and total density of states are being used to determine the influences of different basic states to the conduction and valence bands (TDOS & PDOS). Investigation of Optical properties shows that these compounds have low refractive index and high absorption coefficient, conductivity, reflective coefficient at high energy ranges. Owing to the indirect band gap, the applications of these compounds are deemed in conducting industries. Here we are using these compounds for first time and are examined using the computational method, which delivers a complete view into the different properties.

Insight into the Structural, Electronic, Elastic, Optical, and Magnetic Properties of Cubic Fluoroperovskites ABF3 (A = Tl, B = Nb, V) Compounds: Probed by DFT.

This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-polarized configurations for cubic fluoroperovskite ABF3 (A = Tl, B = Nb, V) compounds studied by density functional theory (DFT) by means of the Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach. The ground state characteristics of these compounds, i.e., the lattice parameters a0, bulk modulus (B), and its pressure derivative B' are investigated. The structural properties depict that the selected compounds retain a cubic crystalline structure and have stable ground state energy. Electronic-band structures and DOS (density of states) in spin-polarized cases are studied which reports the semiconducting nature of both materials. The TDOS (total density of states) and PDOS (partial density of states) studies in both spin configurations show that the maximum contributions of states to the different bands is due to the B-site (p-states) atoms as well as F (p-states) atoms. Elastic properties including anisotropy factor (A), elastic constants, i.e., C11, C12, and C44, Poisson's ratio (υ), shear modulus and (G), Young's modulus (E) are computed. In terms of elastic properties, the higher (bulk modulus) "B" and ratio of "B/G" yield that these materials exhibit a ductile character. Magnetic properties indicate that both the compounds are ferromagnetic. In addition, investigations of the optical spectra including the real (ε1ω) and imaginary (ε2ω) component of the dielectric function, refractive index nω, optical reflectivity Rω, optical conductivity σω, absorption coefficient αω, energy loss function Lω, and electron extinction coefficient kω are carried out which shows the transparent nature of TlVF3 and TlNbF3. Based on the reported research work on these selected materials, their applications can be predicted in many modern electronic gadgets.

Phytochemical Screening, Antioxidant and Antifungal Activities of Aconitum chasmanthum Stapf ex Holmes Wild Rhizome Extracts.

Aconitum chasmanthum Stapf ex Holmes, an essential and critically endangered medicinal plant from Kashmir Himalayas, was studied for its antioxidant and antifungal properties. The shade-dried powdered rhizome was extracted sequentially with hexane, ethyl acetate, and methanol. These subsequent fractions were evaluated for total phenolic content (TPC); total flavonoid content (TFC); antioxidant assays, such as 1,1-diphenyl 1-2-picryl-hydrazyl (DPPH); ferric-reducing antioxidant power (FRAP); superoxide radical scavenging (SOR); hydroxyl radical scavenging (OH) and antifungal activity using the poisoned food technique. Highest TPC (5.26 ± 0.01 mg/g) and TFC (2.92 ± 0.04 mg/g) were reported from methanolic extracts. The highest values of radical scavenging activities were also observed in methanolic extracts with IC50 values of 163.71 ± 2.69 µg/mL in DPPH, 173.69 ± 4.91 µg/mL in SOR and 159.64 ± 2.43 µg/mL in OH. The chemical profile of ethyl acetate extract was tested using HR-LCMS. Methanolic extracts also showed a promising inhibition against Aspergillus niger (66.18 ± 1.03), Aspergillus flavus (78.91 ± 1.19) and Penicillium notatum (83.14 ± 0.97) at a 15% culture filtrate concentration with minimum inhibitory concentration (MIC) values of 230 µg/mL, 200 µg/mL and 190 µg/mL, respectively. Overall, the methanolic fractions showed significant biological potential, and its pure isolates might be used to construct a potential new medicinal source.