Exploring the Antibacterial and Antibiofilm Efficacy of Psammogeton biternatum Edgew and Identification of a Novel Quinoline Alkaloid using X-ray Crystallography.

The prevalence of resistance to harmful human pathogens is steadily rising, emphasizing the urgent need to identify novel antimicrobial compounds. For this purpose, plants stand out as a significant source of bioactives worthy of exploration. Among these, alkaloids, a vast and structurally diverse category of plant secondary metabolites, have emerged as a foundation for crucial antibacterial medications such as metronidazole and the quinolones. In the current work, the crude methanol leaf extract of Psammogeton biternatum Edgew collected from District Bannu, Pakistan, was subjected to TLC (indirect) bioautography and X-ray crystallography for the isolation of potential antibacterial agents. From the crude extract, a novel quinoline alkaloid called quinoline dione ((3R,3aS,5aR)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydro-2H-isoxazolo[2,3-a] quinoline-2,8(3H)-dione (C14H17NO3)) was isolated. The crystal information (M = 247.296 g/mol) is as follows: orthorhombic, P212121, a = 7.7339(14) Å, b = 10.7254(19) Å, c = 15.730(2) Å, V = 1304.8(4) Å3, Z = 4, T = 296 K, µ(Mo Kα) = 0.088 mm-1, ρ calc = 1.259 g/cm3, 13928 reflections measured (5.86° ≤ 2Θ ≤ 51.98°), 2478 unique (R int = 0.1613, R σ = 0.1335). The final R 1 was 0.1098 (I ≥ 2u(I)), and wR 2 was 0.2183. The antibacterial activity for both crude extract of leaves and quinoline dione was determined by a well diffusion method. The quinoline dione alkaloid demonstrated excellent inhibition zones against methicillin-resistant Staphylococcus aureus (18 mm), Bacillus subtills (17 mm), Escherichia coli (20 mm), and Pseudomonas aeruginosa (23 mm) compared to the crude extract. The antibiofilm potential was recorded against Pseudomonas aeruginosa by the 96-well microtiter plate method. A dose-dependent biofilm inhibition response was recorded, which increased with the increase in concentration. Moreover, quinoline dione showed a greater antibiofilm effect as compared to the crude extract, which may be linked to the presence of a particular active functional group positioned on the compound isolated in its pure form. Through in silico studies, i.e., molecular docking, quinoline dione shows strong binding energies with the LasR transcriptional regulator (6MVN) at -9.3 and LasR transcriptional activator (3IX4) at -9.2 kcal/mol, as well as moderate affinities with other targets such as AHL synthase LasI (PDB ID 1RO5) and OprM channel (PDB ID 3D5K), indicating its potential as a quorum sensing inhibitor. Thus, the antibacterial and antibiofilm potential of quinoline dione was confirmed.

Development and characterization of polymorphic microsatellite markers for Periplaneta americana (Blattodea: Blattidae).

The American cockroach, Periplaneta americana (Blattodea: Blattidae), is a prevalent urban pest with significant public health implications. This study aimed to develop and validate novel microsatellite markers to understand the genetic diversity and population genetic structure of P. americana. In this study, a total of 397,898 microsatellite markers were developed based on 24.6 million genomic DNA sequences. Twenty microsatellite markers were selected and amplified with varying numbers of alleles ranging from 0 to 35. Seven out of 20 markers were characterized for their polymorphism and amplification efficiency. The polymorphic information content (PIC) values of these markers were high (0.669 to 0.950) implying their effectiveness. These markers also revealed 7 to 35 alleles per locus across tested samples, highlighting their utility in assessing the extensive genetic variation within Periplaneta americana populations. These results provide insightful information that may be applied to the genetic analysis of the American cockroach population using the developed species-specific microsatellite marker.

Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation.

In our research, we utilize density functional theory (DFT) to explore the properties of magnesium and zinc atoms adsorbed on bismuthene. Our findings indicate that the hollow site is the most favorable adsorption site for Mg and Zn atoms on bismuthene. The results indicate that Mg and Zn adsorption on the bismuthene surface results in significantly high conductivity, with notable adsorption energies of -3.38 eV for Mg and -3.91 eV for Zn. The bismuthene structure can adsorb 9 Mg and 18 Zn atoms with negative average adsorption energy. These findings suggest excellent stability of bismuthene during the adsorption of magnesium and zinc. Notably, we propose theoretical storage capacities of 2308 mA h g-1 for magnesium-ion batteries (MgIBs) and 4616 mA h g-1 for zinc-ion batteries (ZnIBs), while maintaining structural stability during the adsorption of these metal ions. The observed average open-circuit voltages for bismuthene are 0.01 V for Mg and 0.03 V for Zn, with the material retaining its metallic properties throughout the adsorption process. Furthermore, the calculated diffusion barriers for Mg and Zn are 0.1 eV and 0.21 eV, respectively. Our findings like storage capacity, diffusion energies, and low OCV surpass those of most studied two-dimensional materials, positioning bismuthene as a promising anode material for metal-ion rechargeable batteries.

Draft genome datasets for Cimex hemipterus from 454 Roche shotgun sequencings and Illumina HiSeq.

The draft genome data for Cimex hemipterus obtained through Illumina HiSeq sequencing were presented. The raw genomic data was deposited in GenBank under BioProject (PRJNA722579) with the BioSample accession number SAMN18780126. Software, including FLASH, SPADES, and QUAST, were used to merge, assemble, and qualify the raw dataset. The assembled genome was available in the Figshare repository. The assembled genomic data was compared to C. hemipterus data obtained using 454 Roche shotgun sequencing (BioProject, PRJNA308532), downloaded from NCBI. The draft genome data from this work demonstrated larger data volumes and an updated assembly of the C. hemipterus genome with better scaffolding compared to genome data obtained from 454 Roche shotgun sequencing.

Behavioural Responses of Tropical Bed Bug Cimex hemipterus (F.) (Hemiptera: Cimicidae) to Coloured Harbourage.

Population of the tropical bed bug Cimex hemipterus (F.) (Hemiptera: Cimicidae), a temporary ectoparasite on both humans and animals, have surged in many tropical countries. Tropical bed bugs preferences when selecting a suitable harbourage and oviposition site were investigated. Two-choice and three choice colour assays were conducted to determine whether bed bugs will choose black, red or white coloured harbourages. Then, 50 1st instar were reared in containers containing black, red and white (control) paper served as the harbourages and observed for 12 weeks. Both fed and starve male, female and nymph strongly preferred red and black coloured harbourage compared to white coloured harbourage. Oviposition assays showed that female bed bugs prefered to laid their eggs on red coloured harbourages compared to black coloured harbourages. Rearing experiment showed that there was no significant difference (p > 0.05) between final population size of tropical bed bug. However, tropical bed bugs reared in container with red paper (600 ± 89.238) have the highest number of individuals followed by black (473 ± 133.841) and white (485 ± 84.234) paper. Bed bug preference towards coloured harbourage provide useful information for those developing new bed bug control method or improving bed bug infestation monitoring devices.

Comparative analyses of the transcriptome among three development stages of Zeugodacus tau larvae (Diptera: Tephritidae).

Studying differences in transcriptomes across various development stages of insects is necessary to uncover the physiological and molecular mechanism underlying development and metamorphosis. We here present the first transcriptome data generated under Illumina Hiseq platform concerning Zeugodacus tau (Walker) larvae from Nanchang, China. In total, 11,702 genes were identified from 9 transcriptome libraries of three development stages of Z. tau larvae. 7219 differentially expressed genes (DEGs) were screened out from the comparisons between each two development stages of Z. tau larvae, and their roles in development and metabolism were analyzed. Comparative analyses of transcriptome data showed that there are 5333 DEGs between 1-day and 7-day old larvae, consisting of 1609 up-regulated and 3724 down-regulated genes. Expressions of DEGs were more abundant in L7 than in L1 and L3, which might be associated with metamorphosis. Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis suggested the enrichment of metabolic process. KOG annotation further confirmed that 20-hydroxyecdysone (20E) pathway related genes Cyp4ac1_1, Cyp4aa1, Cyp313a4_3 were critical for the biosynthesis, transport, and catabolism of secondary metabolites and lipid transport and metabolism. Expression patterns of 8 DEGs were verified using quantitative real-time PCR (RT-qPCR). This study elucidated the DEGs and their roles underlying three development stages of Z. tau larvae, which provided valuable information for further functional genomic research.

Protocol for tropical bed bug use as forensic tools.

As blood-feeding insects that feed on human hosts, bed bugs could be used in forensic investigations if they are present at a crime scene with no apparent evidence. This study describes how tropical bed bugs (Cimex hemipterus) can be used as forensic tools to collect valid human DNA samples. Short Tandem Repeat (STR) analysis was performed on collected bed bug samples, whereby the results indicate that the obtained quantities of human DNA are mostly substantial to facilitate a comprehensive genetic profiling process.

Electronic Transport Properties of Molecular Clusters Sb4O6, P4Se3, and P4O6.

Inorganic molecular crystal (IMC) is a trending class of materials in which structural units comprise molecular cages or clusters bonded via van der Waal forces. The structure-property relationship in IMCs is less known due to the unusual assembly of molecular clusters in these materials. In this paper, the density functional theory-calculated electronic transport properties of the molecular clusters of antimony oxide (Sb4O6), phosphorus triselenide (P4Se3), and phosphorus trioxide (P4O6) are described in detail. The calculated values of highest occupied molecular orbital-lowest unoccupied molecular orbital gaps appeared as 5.487, 2.296, and 4.425 eV for Sb4O6, P4Se3, and P4O6, respectively. The work was carried out to explore the charge transport mechanism in IMCs in order to disclose their potential in practical applications. The calculations involved charge-transfer integral based on Marcus theory to compute the electronic coupling (V), reorganization energies (λ), and hopping rate (k) in the structures. The hopping rate for Sb4O6, P4Se3, and P4O6 is found as 8.49 × 10-12, 1.28 × 10-14, and 2.51 × 10-20 s-1, respectively. The transport properties of Sb4O6 are found better, which predicts the application of the relevant IMC for device grade applications. The findings of this study are important for future application of the IMCs in electronic and optoelectronic applications.

Adsorption behavior of different cresols on bismuthene: a DFT study.

Phenolic compounds present in wastewater were utilized for first-principle calculations based on DFT to observe adsorption effects. Results indicate that bismuthene exhibits different adsorption characteristics for different compounds. Following the adsorption process, the aromatic ring remains in the same plane, while CH3 and OH groups move upward, causing slight changes in the molecules' overall position. The calculated results show that bisphenol A has the least atomic distance (4.00 Å) from the bismuthene surface and the highest adsorption energy value (12.8509 eV), indicating the stability and smoothness of the adsorption process. The electronic properties results reveal that phenolic compounds exhibit overlapping peaks at a distance from the Fermi level, describing the stability of the adsorption system. Additionally, the charge transfer results mirror the adsorption energy calculation results, showing that the bisphenol A adsorption system accepts a greater amount of (-0.116e) charge from the bismuthene surface, demonstrating a strong adsorption effect.

Spontaneous Coronary Artery Dissection in the Setting of Marijuana: A Case Report.

This case report presents a detailed examination of spontaneous coronary artery dissection (SCAD) in a 61-year-old Middle Eastern male with a history of marijuana use and essential hypertension. The patient's emergency presentation with loss of consciousness and subsequent diagnostics - including elevated troponins and distinctive electrocardiogram changes - led to the identification of extensive SCAD affecting multiple coronary arteries. The association between marijuana use and cardiovascular pathology is focal in this study, particularly considering the patient's positive test for tetrahydrocannabinol (THC) and significant smoking history. This case highlights the critical need for heightened awareness among clinicians regarding the implications of recreational marijuana use, particularly in individuals with predisposing cardiovascular risk factors. Furthermore, it illustrates the complexity of diagnosing and managing SCAD, a condition that may vary widely in its presentation and severity, necessitating a tailored approach to treatment that considers both the acute manifestations and underlying contributory factors such as substance use.

Application of computer vision and deep learning models to automatically classify medically important mosquitoes in North Borneo, Malaysia.

Mosquito-borne diseases have emerged in North Borneo in Malaysia due to rapid changes in the forest landscape, and mosquito surveillance is key to understanding disease transmission. However, surveillance programmes involving sampling and taxonomic identification require well-trained personnel, are time-consuming and labour-intensive. In this study, we aim to use a deep leaning model (DL) to develop an application capable of automatically detecting mosquito vectors collected from urban and suburban areas in North Borneo, Malaysia. Specifically, a DL model called MobileNetV2 was developed using a total of 4880 images of Aedes aegypti, Aedes albopictus and Culex quinquefasciatus mosquitoes, which are widely distributed in Malaysia. More importantly, the model was deployed as an application that can be used in the field. The model was fine-tuned with hyperparameters of learning rate 0.0001, 0.0005, 0.001, 0.01 and the performance of the model was tested for accuracy, precision, recall and F1 score. Inference time was also considered during development to assess the feasibility of the model as an app in the real world. The model showed an accuracy of at least 97%, a precision of 96% and a recall of 97% on the test set. When used as an app in the field to detect mosquitoes with the elements of different background environments, the model was able to achieve an accuracy of 76% with an inference time of 47.33 ms. Our result demonstrates the practicality of computer vision and DL in the real world of vector and pest surveillance programmes. In the future, more image data and robust DL architecture can be explored to improve the prediction result.

Epidemiology and phylogeny of Haemonchus contortus through internal transcribed spacer 2 gene in small ruminants.

Introduction: Haemonchus contortus (H. contortus) is a blood-feeding nematode causing infectious disease haemonchosis in small ruminants of tropical and subtropical regions around the world. This study aimed to explore the prevalence and phylogeny of H. contortus in small ruminants using the internal transcribed spacer-2 (ITS-2) gene. In addition, a comprehensive review of the available literature on the status of H. contortus in Pakistan was conducted. Methods: Fecal samples were collected from sheep and goats (n = 180). Microscopically positive samples were subjected to DNA extraction followed by PCR using species-specific primers. Results: The overall prevalence of H. contortus was 25.55% in small ruminants. The prevalence of H. contortus was significantly associated with months and area. The highest occurrence of haemonchosis was documented in July (38.70%), whereas the lowest occurred in December (11.11%), with significant difference. The prevalence was highest in the Ghamkol camp (29.4%) and lowest in the arid zone of the Small Ruminant Research Institute (17.5%) (p = 0.01). The results of the systematic review revealed the highest prevalence of haemonchosis (34.4%) in Khyber Pakhtunkhwa (p = 0.001). Discussion: Phylogenetic analysis revealed a close relationship between H. contortus and isolates from Asia (China, India, Iran, Bangladesh, Malaysia, and Mongolia) and European countries (Italy and the United Kingdom). It has been concluded that H. contortus is prevalent in small ruminants of Kohat district and all over Pakistan, which could be a potential threat to food-producing animals, farmers, dairy, and the meat industry. Phylogenetic analysis indicates that H. contortus isolates share close phylogenetic relationships with species from Asia and Europe.

Preparation of surface molecularly imprinted polymers with Fe3O4/ZIF-8 as carrier for detection of Dimethoate in cabbage.

In this study, molecularly imprinted polymers (MIPs) were prepared for the specific recognition of organophosphorus pesticides and a rapid, efficient and simple method was established for the detection of dimethoate (DIT) in food samples. Fe3O4 magnetic nanoparticles were synthesized by co-precipitation, and Fe3O4/ZIF-8 complexes were prepared by a modified in-situ polymerization method, and then magnetic molecularly imprinted polymers (MMIPs) were prepared and synthetic route was optimized by applying density functional theory (DFT). The morphological characterization showed that the MMIPs were coarse porous spheres with an average particle size of 50 nm. The synthesized materials are highly selective for the organophosphorus pesticide dimethoate with an adsorption capacity of 461.50 mg·g-1 and are effective resistance to matrix effects. A novel method for the determination of DIT in cabbage was developed using the prepared MMIPs in combination with HPLC. The practical results showed that the method can meet the requirements for the determination of DIT in cabbage with recoveries of 85.6-121.1 % and detection limits of 0.033 µg·kg-1.

Population genetic structure of tropical bed bug (Hemiptera: Cimicidae) populations and their breeding pattern in Iraq.

A study was conducted to investigate the population genetic structure and breeding pattern of 140 tropical bed bugs, Cimex hemipterus (F.) (Hemiptera: Cimicidae), collected from 14 infested sites in major cities in Iraq. The samples were genotyped using a set of 7 polymorphic microsatellite markers. High genetic variety was seen among populations, with an average of 2-9 alleles per locus. The number of alleles across 7 microsatellite loci was between 6 and 18. There was a notable disparity in the alleles per loci when comparing the overall population to those within it. The overall population exhibited an average observed heterozygosity of 0.175 and an average expected heterozygosity of 0.730. Among the population, the average observed heterozygosity was 0.173, while the average expected heterozygosity was 0.673. Analysis of molecular variance (AMOVA) revealed that 93% of the genetic variability was within the populations, and 7% was among them. The genetic differentiation coefficient (FST = 0.045), indicates a low degree of genetic differentiation and a high degree of inbreeding (FIS = 0.761), as indicated by notably significant positive inbreeding coefficients. Admixed individuals were revealed using STRUCTURE and neighbor-joining phylogenetic trees, demonstrating moderate gene flow between populations and a lack of genetic structure in the regional groups. Thus, both active dispersion and human-mediated dispersion possess the potential to influence the low population genetic structure of tropical bed bug C. hemipterus populations in Iraq, which can have implications toward tropical bed bug and management strategies.

Phylogenetic relationship of subterranean termite Coptotermes gestroi (Blattodea: Rhinotermitidae) inhabiting urban and natural habitats.

Coptotermes termites were collected from forestry habitats at University Sains Malaysia, Penang, while urban samples were collected from residentials from Penang and Kedah, Malaysia. Mitochondrial DNA markers, Cytochrome Oxidase 1 (CO1), and 16S ribosomal RNA (16S rRNA) genes were amplified and sequenced to confirm the species of the termite samples as Coptotermes gestroi. Through Blastn, all 25 CO1 and 16S rRNA sequences, respectively from urban and natural habitats were found to be 99.54-100.00 % similar to C. gestroi reference sequences from previous studies in Peninsular Malaysia. The phylogenetic trees constructed using Neighboring-joining (NJ) and Maximum Likelihood (ML) methods resulted in CO1 sequences clustering in two clades and 16S rRNA sequences clustering in a single clade. The overall mean distance was low for the C. gestroi populations from natural habitats and urban settings (FST = 0.004). Analysis of natural habitat populations using CO1 sequences revealed two haplotypes within the population, with a haplotype diversity (Hd) of 0.045 ± 0.005, while the urban population shared a common haplotype with the natural habitat populations and there was no haplotype diversity recorded between the populations. Urban and natural habitats included only one haplotype for 16S rRNA sequences, indicating a lack of nucleotide diversity. Based on the findings, a non-significant difference between the natural habitat and urban population suggests C. gestroi inhabiting both regions likely originated from a similar source and underwent population homogeneity in different settings facilitated by anthropogenic dispersal.

Phase-Dependent Properties of Manganese Oxides and Applications in Electrovoltaics.

This study reports first-principles predictions as well as experimental synthesis of manganese oxide nanoparticles under different conditions. The theoretical part of the work comprised density functional theory (DFT)-based calculations and first-principles molecular dynamics (MD) simulations. The extensive research efforts and the current challenges in enhancing the performance of the lithium-ion battery (LIB) provided motivation to explore the potential of these materials for use as an anode in the battery. The structural analysis of the synthesized samples carried out using X-ray diffraction (XRD) confirmed the tetragonal structure of Mn3O4 on heating at 450 and 550 °C and the cubic structure of Mn2O3 on heating at 650 °C. The structures are found in the form of nanoparticles at 450 and 550 °C, but at 650 °C, the material appeared in the form of a nanoporous structure. Further, we investigated the electrochemical functionality of Mn2O3 and Mn3O4 as anode materials for utilization in LIBs via MD simulations. Based on the investigations of their electrical, structural, diffusion, and storage behavior, the anodic character of Mn2O3 and Mn3O4 is predicted. The findings indicated that 10 lithium atoms adsorb on Mn2O3, whereas 5 lithium atoms adsorb on Mn3O4 when saturation is taken into account. The storage capacities of Mn2O3 and Mn3O4 are estimated to be 1697 and 585 mAh g-1, respectively. The maximum value of lithium insertion voltage per Li in Mn2O3 is 0.93 and 0.22 V in Mn3O4. Further, the diffusion coefficient values are found as 2.69 × 10-9 and 2.65 × 10-10 m2 s-1 for Mn2O3 and Mn3O4, respectively, at 300 K. The climbing image nudged elastic band method (Cl-NEB) was implemented, which revealed activation energy barriers of Li as 0.30 and 0.75 eV for Mn2O3 and Mn3O4, respectively. The findings of the work revealed high specific capacity, low Li diffusion energy barrier, and low open circuit voltage for the Mn2O3-based anode for use in LIBs.

Efficacy of Terbinafine and Itraconazole Combination Therapy Versus Terbinafine or Itraconazole Monotherapy in the Management of Fungal Diseases: A Systematic Review and Meta-Analysis.

Fungal infections constitute a common dermatological illness rampant in underdeveloped countries. Combination drug therapy is becoming increasingly well-established owing to drug resistance because of monotherapy. Different studies have been conducted previously to compare the medical regimens for the treatment of fungal infections. However, there is insufficient research on the difference in cure rates and recurrence rates with each regimen. To the best of our knowledge, this meta-analysis is the first to compare the effect of the most widely used oral antifungal medications and their combination usage. A meta-analysis of randomized controlled trials (RCTs) assesses the efficacy of terbinafine or itraconazole monotherapy versus combination therapy in fungal diseases. We queried PubMed and Cochrane Central from their inception to April 2022 for published studies, RCTs, and observational studies without any language restriction that compared itraconazole and terbinafine combination therapy with monotherapy in patients with fungal infections. The results from the studies were presented as risk ratios (RRs) with 95% confidence intervals (CIs) and were pooled using a random-effects model, and a p-value of ≤0.05 was considered significant for the analysis. Endpoints of interest included cure rates and recurrence rates. Cure rates were increased significantly for combination therapy compared to terbinafine monotherapy (RR=2.01 (1.37, 2.94); p=0.0003; I2=67%). On sensitivity analysis, a significant association was observed between combination therapy and itraconazole monotherapy in terms of cure rates (RR=1.91 (1.41, 2.57); p<0.0001; I2=0%) and recurrence rates (RR=0.08 (0.02, 0.44); p=0.003; I2=0%). The findings of this meta-analysis suggest that itraconazole and terbinafine combination therapy has a better cure rate when compared to terbinafine monotherapy.

Environmental strategic performance of SMEs in developing countries: perspectives of environmental strategic capabilities, environmental strategic assessment, and stakeholder engagement.

The purpose of this study is to empirically evaluate the model that explains the methods involved in the transformation of environmental strategic capabilities (ESC) into environmental strategic performance (ESP) of manufacturing SMEs in developing economies such as Pakistan. This study also analyzes the role of environmental strategic assessment (ESA) as a mediator as well as the contingent impacts of stakeholder engagement (SE). To evaluate the conceptual model, a cross-sectional design was employed in this study. Data from 489 owners, production managers, finance managers, and CEOs of 133 production units dealing in agriculture equipment (31 units), auto parts (18 units), electrical equipment (25 units), gas appliances (23 units), pharmaceutical instruments (15 units), and plastic products manufacturing (21 units) was gathered to validate the moderated mediation framework. The outcomes of the study support the notion that ESC and ESP are positively correlated. Furthermore, results also support the mediation role of ESA in the association between ESC and ESP. Additionally, the moderation of SE is validated, and this construct is portrayed as a catalyst in interaction of ESC and ESP. The current study contributes to strategic management literature by concentrating on intangible assets such as ESC and its key aspects. As a result, it introduces a new framework as well as a roadmap that will support the accomplishment of ESP. Through focusing on the mediating mechanism in which ESC may well be transformed to ESP of manufacturing SMEs by ESA, the study findings significantly contributed to the understanding of environmental dynamism in contemporary management era. The findings of the study also assist in clarifying the moderating impact of SE and how its interactions with ESC and ESP strengthen the influence that enterprises have on ESA.