Computational Evaluation of Fusarium nygamai Compounds as AcrD Efflux Pump Protein Inhibitors of Salmonella Typhimurium.

In Salmonella Typhimurium, efflux pump proteins, such as AcrD actively expel drugs and hazardous chemicals from bacterial cells, resulting in treatment failure and the emergence of antibiotic-resistant variants. Focusing on AcrD may lead to the development of novel antimicrobials against multidrug-resistant bacteria. However, challenges persist in achieving high selectivity, low toxicity, and effective bacterial penetration.

Comparative efficiency of Geotrichum candidum microcapsules prepared with alginate and in combination with other polymers: In vitro evaluation.

Microencapsulation is utilized to protect probiotics, such as Geotrichum candidum, ensuring their survival, stability, and targeted release. The encapsulation efficiency depends on factors such as the type and concentration of the polymers and the encapsulation method. In this study, G.

Bioassay Guided Isolation and α-Glucosidase Inhibition Studies of a New Sesquiterpene from Ochradenus aucheri.

Aims: The aim of the current study was to explore the anti-diabetic potential of Ochradenus aucheri Boiss (O. aucheri).

Method: All the fractions of O.

Molasses-based waste water irrigation: a friend or foe for carrot (Daucus carota L.) growth, yield and nutritional quality.

Management of molasses-based wastewater generated in yeast and sugar industries is a major environmental concern due to its high chemical oxygen demand and other recalcitrant substances. Several strategies have been used to reduce the inland discharge of wastewater but the results are not satisfactory due to high operating cost. However, reuse of molasses-based wastewater irrigation in agriculture has been a major interest nowadays to reduce the freshwater consumption.

Phyto-ecological studies and distribution patterns of subfamily Polygonoideae in relation to edaphic factors across diverse ecological zones.

The species of the subfamily Polygonoideae is an essential component of temperate forests as well as the flora of the western Himalayan region. The aim of this research was to explore the taxonomic diversity, distribution patterns, and associated flora of Polygonoideae in relation to edaphic factors in various ecological zones in the Muzaffarabad division of the Kashmir Western Himalayan Region. We applied a random sampling approach for data collection from 10 different sites with a cumulative 780 quadrats to record the diversity of wild Polygonoideae species across the Muzaffarabad division between 2021 and 2022.

Immunoinformatic approach for multi-epitope vaccine design against Staphylococcus aureus based on hemolysin proteins.

Staphylococcus aureus is a common bacterium that causes a variety of infections in humans. This microorganism produces several virulence factors, including hemolysins, which contribute to its disease-causing ability. The treatment of S.

A comprehensive review on the enantiomeric separation of chiral drugs using metal-organic frameworks.

Chiral drugs play an important role in modern medicine, but obtaining pure enantiomers from racemic mixtures can pose challenges. When a drug is chiral, only one enantiomer (eutomer) typically exhibits the desired pharmacological activity, while the other (distomer) may be biologically inactive or even toxic. Racemic drug formulations introduce additional health risks, as the body must still process the inactive or detrimental enantiomer.

Computational Exploration of Royle: A Hidden Treasure Trove for Antiviral Development.

Viral infections and associated illnesses account for approximately 3.5 million global fatalities and public health problems. Medicinal plants, with their wide therapeutic range and minimal side effects, have gained limelight particularly in response to growing concerns about drug resistance and sluggish development of antiviral drugs.

Exploration of the synergistic effect of chrysene-based core and benzothiophene acceptors on photovoltaic properties of organic solar cells.

To improve the efficacy of organic solar cells (OSCs), novel small acceptor molecules (CTD1-CTD7) were designed by modification at the terminal acceptors of reference compound CTR. The optoelectronic properties of the investigated compounds (CTD1-CTD7) were accomplished by employing density functional theory (DFT) in combination with time-dependent density functional theory (TD-DFT). The M06 functional along with a 6-311G(d,p) basis set was utilized for calculating various parameters such as: frontier molecular orbitals (FMO), absorption maxima (λ), binding energy (E), transition density matrix (TDM), density of states (DOS), and open circuit voltage (V) of entitled chromophores.

Seed priming with potassium nitrate alleviates the high temperature stress by modulating growth and antioxidant potential in carrot seeds and seedlings.

Early season carrot (Daucus carota) production is being practiced in Punjab, Pakistan to meet the market demand but high temperature hampers the seed germination and seedling establishment which cause marked yield reduction. Seed priming with potassium nitrate breaks the seed dormancy and improves the seed germination and seedling growth potential but effects vary among the species and ecological conditions. The mechanism of KNO priming in high temperature stress tolerance is poorly understood yet.

Management of Tomato Bacterial Canker Disease by the Green Fabricated Silver Nanoparticles.

Bacterial canker disease caused by Clavibacter michiganensis is a substantial threat to the cultivation of tomatoes, leading to considerable economic losses and global food insecurity. Infection is characterized by white raised lesions on leaves, stem, and fruits with yellow to tan patches between veins, and marginal necrosis. Several agrochemical substances have been reported in previous studies to manage this disease but these were not ecofriendly.

Synergistic reductive catalytic effects of an organic and inorganic hybrid covalent organic framework for hydrogen fuel production.

Electrocatalytic hydrogen generation in alkaline medium has become widely used in a variety of sectors. However, the possibility for additional performance improvement is hampered by slow kinetics. Because of this restriction, careful control over processes such as water dissociation, hydroxyl desorption and hydrogen recombination is required.

Pyridine-2,6-Dicarboxylic Acid As a Facile and Highly Selective "Turn-Off" Fluorimetric Chemosensor for Detection of Cu (II) Ions in Aqueous Media.

Copper metal is third most abundant trace element in human body. Determination of Cu (II) ions is a burning topic in field of environment protection and food safety because of its significant impact on ecosystem. In this study, 2,6-pyridine dicarboxylic acid (PDA) has been explored as "turn-off" florescent probe for florescent detection of Cu (II) ions.

Characterization of two novel fusariviruses co-infecting a single isolate of phytopathogenic fungus Botrytis cinerea.

A wide diversity of mycoviruses has been reported from Botrytis species, some with the potential to suppress the pathogenic abilities of this fungus. Considering their importance, this study was devised to find potential hypovirulence-associated mycoviruses found in Botrytis cinerea strains isolated from Pakistani strawberry fields. Here we report the complete genome characterization of two fusariviruses co-infecting a single isolate of phytopathogenic fungus B.

Exposure to zinc oxide nanoparticles induced reproductive toxicities in male Sprague Dawley rats.

Background: This research delves into the reproductive toxicology of zinc oxide nanoparticles (ZnO-NPs) in male Sprague Dawley rats. It specifically examines the repercussions of Zn accumulation in the testes, alterations in testosterone levels, and histopathological changes in the gonadal tissues.

Aims: The primary objective of this study is to elucidate the extent of reproductive toxicity induced by ZnO-NPs in male Sprague Dawley rats.

Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials.

Nonlinear optical (NLO) response materials are among the smartest materials of the era and are employed to modulate the phase and frequency of the laser. The present study presents a quantum chemical framework for tailoring nitrogen/boron doped derivatives of Dihydrodibenzo [de,op]pentacene through terminal and central core modifications. The derivatives of these compounds have been designed by introducing various π-conjugated connectors as well as B/N heteroatoms in the phenalene rings.

Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine.

We synthesized an imine-based (Schiff base) crystalline organic chromophore, i.e., ()-2-ethoxy-6-(((3-(trifluoromethyl)phenyl)imino)methyl)phenol (), and explored its nonlinear optical (NLO) properties.

Micrometer insights into Nepeta genus: Pollen micromorphology unveiled.

This study provides a comprehensive pollen micromorphology within the Nepeta genus, revealing intricate details about the pollen grains' structure and characteristics. The findings shed light on the evolutionary and taxonomical aspects of this plant genus, offering valuable insights for botanists and researchers studying Nepeta species. The pollen grains of 18 Nepeta species were studied using scanning electron microscopy (SEM) and light microscopy (LM) in Northern Pakistan.

Machine learning-based prediction of osteoporosis in postmenopausal women with clinical examined features: A quantitative clinical study.

Osteoporosis is a skeletal disease that is commonly seen in older people but often neglected due to its silent nature. To overcome the issue of osteoporosis in men and women, we proposed an advanced prediction model with the help of machine learning techniques which can help to identify the potential occurrence of this bone disease by its advanced screening tools. To achieve more reliable and accurate results, various machine-learning techniques were applied to the presented data sets.

Proximate composition and prevalence and exposure assessment of aflatoxins intake through consumption of fresh carrot and processed marketed carrot products in South Punjab, Pakistan.

Carrot ( L.) is a nutrient-rich vegetable that is widely cultivated and consumed in Pakistan in both raw and processed form. Data on the proximate composition and natural occurrence of aflatoxins (AFs) in carrots and marketed carrot products is lacking in Pakistan and the risk exposure of AF has not been characterised before.

TP53 and its Regulatory Genes as Prognosis of Cutaneous Melanoma.

The present study was the first comprehensive investigation of genetic mutation and expression levels of the p53 signaling genes in cutaneous melanoma through various genetic databases providing large datasets. The mutational landscape of p53 and its signaling genes was higher than expected, with followed by being the most mutated gene in cutaneous melanoma. Furthermore, the expression analysis showed , , , and were overexpressed, while and were under-expressed in cutaneous melanoma.

Mycovirus-induced hypovirulence in notorious fungi Sclerotinia: a comprehensive review.

Members of the genus Sclerotinia are notorious plant pathogens with a diverse host range that includes many important crops. A huge number of mycoviruses have been identified in this genus; some of these viruses are reported to have a hypovirulent effect on the fitness of their fungal hosts. These mycoviruses are important to researchers from a biocontrol perspective which was first implemented against fungal diseases in 1990.

Micromorphological Sculptural Diversity in Foliar Epidermis and Trichomes Features among Invasive Species.

This study examines the role of light microscopic (LM) and scanning electron microscopic (SEM) micromorphological traits of the epidermis in identifying and classifying invasive plants. SEM was conducted to increase our understanding of microscopic qualities that are not visible in light microscopy and to elucidate unclear affinities among invasive species. The study examines invasive species' morphological and anatomical characteristics from the Pothohar Plateau of Pakistan for the first time.