Various Strains Of Bacteria Research Articles

Synthesis, Characterization and Antibacterial Activity of Some Novel Pyrido[2,3-b]indole, Morpholine and Chalcone Hybrid Compounds

In present investigation, a novel series of (E)-3-(2-morpholino-9H-pyrido[2,3-b]indol-3-yl)-1-phenylprop-2-en-1-one and its derivatives (5a-f) were synthesized by condensation reaction from the final intermediate, 2-morpholino-9H-pyrido[2,3-b]indol-3-carbaldehyde (4). The synthesis of the title compounds commenced from commercially available 21H-indol-2-amine (1) and by involving N-(1H-indol-2-yl)-acetamide (2) and 2-chloro-9H-pyrido[2,3-b]indole-3-carbaldehyde (3) as reactive intermediates. The chemical structure of synthesized compounds was characterized by IR, 1H NMR, mass spectral data and elemental analysis. The final compounds were used to screen for their antibacterial activity against various strains of bacteria.

Myxaoside A, a new triterpenoid saponin from Cordia myxa L. (Boraginaceae)

The phytochemical study of Cordia myxa L. led to the isolation, through chromatographic techniques, of a new triterpenoid saponin, 3-O-[α-L-rhamnopyranosyl-(1→3)-(6-O-acetyl-β-D-glucopyranosyl)]-22β-hydroxyolean-12-ene (3) namely Myxaoside A, together with three known compounds, Soyasaponine I (1), oleanolic acid (2), and 3-O-acetyl-oleanolic acid (4). All structures were established, based on 1 & 2D-NMR spectroscopic analysis and comparison with previous published reports. Compound 1-4 were evaluated for their antibacterial activity on various strains of bacteria including Salmonella typhi, Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumoniae and Vibrio cholerae. It appears that compounds 1 and 3 were active on all the tested microbial species, while compounds 2 and 4, shown no significant effect on S. aureus and K. pneumoniae at low concentrations 6.5 mg/mL and 3.0 mg/mL.

Fabrication, structural elucidation, and DFT calculation of some new hydrophilic metal chelates based on N N′‐(1‐methyl‐2‐oxoindolin‐3‐ylidene)benzohydrazide ligand: Pharmaceutical studies and molecular docking approach

Some novel FeIII, CuII, and PdII chelates incorporating N′‐(1‐methyl‐2‐oxoindolin‐3‐ylidene)benzohydrazide (MIBA) were fabricated. The tested compounds were investigated using thermogravimetric analysis (TGA), CHN, spectra analysis (IR, mass spectra, and NMR), melting point, magnetic moments, molar conductance, ultraviolet–visible spectroscopy, powder X‐ray diffraction, and computational studies. The conductance results showed that the tested FeIII, CuII, and PdII chelates are electrolytes. Magnetic and electronic spectra are applied to deduce the coordinating ability of the tested ligand, and the geometric structure of the studied chelates is found to be octahedral, distorted octahedral, and square planar for FeIII, CuII, and PdII chelates, respectively. The TGA study of these studied complexes displays that the hydrated H2O molecules, acetate, and nitrate are removed in the first and second degradation steps followed directly by degradation of the studied ligand leaving metal oxide as residue. The thermodynamic factors, like ΔS*, ΔH*, E*, A, and ΔG* are evaluated from the TGA curves and explained. The density functional theory (DFT)/B3LYP computation method was applied for the estimation of the molecular electrostatic potential (MEP; highest occupied molecular orbital [HOMO] and lowest unoccupied molecular orbital [LUMO]) energy for the studied compounds. In an in vitro study, the antimicrobial effects of the prepared compounds were screened on various strains of bacteria and fungi. It was found that tested compounds exposed a good biological efficacy through IC50 results close to reference drugs and antitumor potential against (MCF‐7, Hep‐G2, and HC‐T116) cell lines. The data obtained displayed that the studied chelates showed promising antitumor activity. The studied metal chelates were screened for in vitro antioxidant efficacy using DPPH assay. The studied compounds explained dynamic satisfying performance. Also, the crystal structures of breast cancer protein (PDB ID: 3HB5) and Escherichia coli (PDB ID: 2VF5) were performed by molecular docking simulation. Data of docking simulation suggestions are which tested compounds have biological behavior as well as have obvious benefit in the pharmaceutical business.

Microbial Biopolymers: From Production to Environmental Applications—A Review

Industrial evolution and agricultural expansion, explained by continuing population growth, have rendered enormous problems for the world throughout the past few decades, primarily because of waste generation. To reduce environmental impact and dependence on fossil fuels, scientists have explored replacing synthetic polymers with environmentally friendly and sustainable alternatives in many emergent applications. In this regard, microbial biopolymers have gained special attention. Many biopolymers originating from various strains of bacteria, fungi, and algae have been reported and their possible applications have increased rapidly. This review focuses on the wide range of microbial biopolymers, their characteristics, and factors influencing their production. The present study also describes the environmental applications of microbial biopolymers. The use of these biopolymers is very attractive as a value-added and sustainable approach to wastewater treatment. By acting as adsorbents, coagulants, and flocculants as well as filters in membrane processes, microbial biopolymers shine as promising solutions beyond conventional methods. They can be integrated into various stages of the treatment process, further enhancing the efficiency of wastewater treatment methods. Microbial biopolymer applications in bioremediation and soil stabilization are also reviewed. Several studies have demonstrated the strong potential of biopolymers in soil improvement due to their ability to minimize permeability, eliminate heavy metals, stabilize soil, and limit erosion. Challenges related to scaling up and the downstream processing of microbial biopolymers, as well as its future perspectives in environmental applications, are also discussed.

Decoding antimicrobial resistance: unraveling molecular mechanisms and targeted strategies.

Antimicrobial resistance poses a significant global health threat, necessitating innovative approaches for combatting it. This review explores various mechanisms of antimicrobial resistance observed in various strains of bacteria. We examine various strategies, including antimicrobial peptides (AMPs), novel antimicrobial materials, drug delivery systems, vaccines, antibody therapies, and non-traditional antibiotic treatments. Through a comprehensive literature review, the efficacy and challenges of these strategies are evaluated. Findings reveal the potential of AMPs in combating resistance due to their unique mechanisms and lower propensity for resistance development. Additionally, novel drug delivery systems, such as nanoparticles, show promise in enhancing antibiotic efficacy and overcoming resistance mechanisms. Vaccines and antibody therapies offer preventive measures, although challenges exist in their development. Non-traditional antibiotic treatments, including CRISPR-Cas systems, present alternative approaches to combat resistance. Overall, this review underscores the importance of multifaceted strategies and coordinated global efforts to address antimicrobial resistance effectively.

Bacteriological evaluation, antibiogram, and phenotypic detection of MBL-producing gram-negative bacteria isolated from outdoor patients with Otorrhea attending Ayub Medical Complex

Otitis media is frequently prevalent in developing countries and is primarily caused by bacteria. The current study aimed to study the patients to assess the occurrence rate, susceptibility pattern, and prevalence rate of metallo beta-lactamase (MBL) producing gram-negative bacteria to prevent the prevalent strains and direct the physicians to appropriate antibiotic therapy. The research study was conducted over nine-months, from November 2020 to July 2021, in which a total of 110 samples were collected from the outdoor-patients’ ear, nose, and throat (ENT) wards using sterile swabs and inoculated immediately on suitable culture media. The isolates were identified via conventional biochemical tests, and the susceptibility pattern of each isolate was tested using the Kirby-Bauer disc diffusion method. Out of the 110 total samples, merely 88.18% (97/110) ear samples were detected positive for the various strains of bacteria both in male and female patients with a mean age of 18.21 ± 15.86, contributing 54.64% and 45.36%, respectively. The most prevalent bacterial strain was Staphylococcus aureus (49.48%), followed by Pseudomonas aeruginosa (16.50%), Proteus spp. (13.40%), S. epidermidis (7.22%), E. coli (6.19%), S. saprophyticus (4.12%), and Klebsiella spp. (3.09%). Of the gram-negative isolated strains, only 18.75% (3/16) of the P. aeruginosa strains exhibited MBL production. A high prevalence rate was observed in the age-group 0–4 years (19.58%), followed by the age-groups, 5–9 and 15–19 (16.49% each), and the age-group >39 (10.31%). Levofloxacin, ciprofloxacin, amikacin, and fusidic acid were highly effective against the gram-positive, whereas ciprofloxacin, amikacin, and levofloxacin were potent against the gram-negative (except P. aeruginosa), while carbenicillin, meropenem and imipenem against the P. aeruginosa. The MBL-producers were highly (100%) resistant to IMP and MEM while highly (100%) sensitive to CAZ. In conclusion, the current study showed a high prevalence of S. aureus, P. aeruginosa, and MBL-producing P. aeruginosa (18.75%). Nevertheless, a high degree of resistance to antibiotics was noted, which could not be ignored.

Bacteriophages as a potential substitute for antibiotics: A comprehensive review.

Over the years, the administration of antibiotics for the purpose of addressing bacterial infections has become increasingly challenging due to the increased prevalence of antimicrobial resistance exhibited by various strains of bacteria. Multidrug-resistant(MDR) bacterial species are rising due to the unavailability of novel antibiotics, leading to higher mortality rates. With these conditions, there is a need for alternatives in which phage therapy has made promising results. Phage-derived endolysins, phage cocktails, and bioengineered phages are effective and have antimicrobial properties against MDRand extensively drug-resistant strains. Despite these, it has been observed that phages can give antimicrobial activity to more than one bacterial species. Thus, phage cocktail against resistant strains provides broad spectrum treatment and magnitude of effectivity, which is many folds higher than antibiotics. Many commercially available endolysins such as Staphefekt SA.100, Exebacase (CF-301), and N-Rephasin®SAL200 are used in biofilm penetration and treating plant diseases. The role of CMP1 phage endolysin in transgenic tomato plants in preventing Clavibacter michiganensis infection and the effectiveness of phage in protecting Atlantic salmon from vibriosis have been reported. Furthermore, phage-derived endolysin therapy, such as TSPphg phage exogenous treatment, can aid in disrupting cell walls, leading to bacterial cell lysis. As animals in aquaculture and slaughterhouses are highly susceptible to bacterial infections, effective phage therapy instead of antibiotics can help treat poultry animals, preserve them, and facilitate disease-free trade. Using bioengineered phages and phage cocktails enhances the effectiveness by providing a broad spectrum of phages and target specificity. Research is currently being conducted on clinical trials to confirm the efficacy of engineered phages and phage cocktails in humans. Although obtaining commercial approval may be time-consuming, it will be beneficial in the postantibiotic era. This review provides an overview of the significance of phage therapy as a potential alternative to antibiotics in combating resistant bacterial strains and its application to various fields and emphasizes the importance of safeguarding and ensuring treatment efficacy.

Synthesis, characterization, in silico and in vitro studies of novel glycoconjugates as potential antibacterial, antifungal, and antileishmanial agents

Abstract In the present work, several new glycoconjugates (8a–e) were generated from glycopyranosyl-α-trichloroacetimidates (sugar-OTCA) as glycosyl donors and dimethyl-l-tartrate as an aglycone acceptor in good to excellent yields. In the synthetic protocol, various monosaccharides were transformed into pentaacetylated derivatives and then into glycopyranosyl-α-trichloroacetimidates. Afterward, the sugar-OTCA was reacted with dimethyl-l-tartrate using Schmidt’s trichloroacetimidate protocol to give the desired products. The newly synthesized glycoconjugates were characterized by FT-IR, 1H, and 13C-NMR spectroscopic analytical methods. All the target compounds (8a–e) were tested in vitro against various strains of bacteria and fungi at different concentrations. The results revealed that the target compounds had encouraging antibacterial and antifungal potential. The antileishmanial activity of the target compounds against Leishmania tropica promastigotes was also investigated. The in vitro results were further supported by the in silico docking study that indicated minimum values of the docking scores and binding energies for the resulting complexes obtained by the favorable interactions between the target compounds (8a–e) and the selected strains of bacteria and fungi. The docking results proposed promising antibacterial and antifungal activities of the target compounds (8a–e) against the selected bacterial and fungal species.

Biodegradable polymer nanocomposites for active food packaging

Biodegradable polymer nanocomposites have gained attention in recent years owing to their antimicrobial activity. The article summarizes recent developments in improving antimicrobial, mechanical and barrier properties of biodegradable polymers chitosan, cellulose, gelatin and starch. ZnO, TiO2, reduced graphene oxide and silver reinforced biodegradable polymer nanocomposites exhibit improved tensile strength due to intercalation of nanomaterials into the polymer matrices. Silver nanoparticle reinforced polymer nanocomposites have shown significant antimicrobial properties against various strains of bacteria and fungi. Although, development of antimicrobial nanomaterials embedded packaging films has helped to augment shelf-life of food, leakage of nanomaterials into the packaged food remains an area of concern.

Эпидемиологические особенности антибиотикорезистентности клинически значимых патогенных микроорганизмов на примере бактерий рода Serratia

Introduction: Bacteria of the genus Serratia are an important group of microorganisms that are both of clinical and scientific importance. The study of the morphological and pathogenetic properties, as well as the determination of resistance to antibacterial drugs of these bacteria is important for the development of methods for treating infectious diseases and the use of this knowledge in biotechnological processes. Despite the fact that bacteria of the genus Serratia were previously considered to be relatively sensitive to most antibacterial drugs, in recent decades there has been an increase in the resistance of these pathogens, which complicates the course of the diseases they cause. Analysis of scientific data on the issues of antibiotic resistance of the studied bacteria will allow us to obtain reliable information about the mechanisms by which bacteria of the genus Serratia acquire resistance to antibacterial drugs, as well as make a choice regarding the optimal drug for the treatment of infectious diseases. Purpose of the study: To study the epidemiological features and resistance mechanisms of bacteria of the genus Serratia to antibacterial drugs. Materials and methods: A review and analysis of 20 sources was conducted. The search was carried out in electronic databases of scientific articles e-Library, Google scholar, PubMed, Web of Science, CyberLeninka. The materials studying the relationships between the epidemiological characteristics of bacteria of the genus Serratia and their mechanisms of resistance to antibacterial drugs were analyzed. Results: In this narrative review, in the course of data analysis, it was noted that most Serratia isolates remain sensitive to some antibacterial drugs, but strains were also identified that exhibit resistance to various classes of antibacterial drugs, including penicillins, cephalosporins and aminoglycosides. The study of resistance mechanisms has shown that one of the key factors contributing to the resistance of bacteria of the genus Serratia is the presence of beta-lactamase enzymes, which destroy beta-lactam antibiotics. Efflux mechanisms have also been identified allowing bacteria to avoid the action of antibacterial drugs. There has been a trend towards increasing levels of antibacterial resistance in Serratia over recent years. This indicates the need for constant monitoring and control of the use of antibacterial drugs in hospital settings. Conclusion: An epidemiological analysis of the mechanisms of resistance of bacteria of the genus Serratia was carried out, and data were obtained confirming the need for in-depth planning before using antibacterial drugs in order to reduce resistance in various strains of bacteria.

Preliminary evaluation of zeolite-based platforms as potential dual drug delivery systems against microbial infections in the tumor microenvironment

Several zeolite-based delivery systems (ZDS) built with faujasite structure were prepared containing silver (Ag+) and 5-Fluorouracil (5-FU) as antimicrobial and antineoplastic agents, respectively. The idea behind this drug combination is an answer to the increasing evidence of colonization of tumor microenvironments by pathogenic microorganisms and their active role in tumor growth. Two ZDS with a fixed load of 5-FU and different silver loads, Ag7(5-FU)@Y and Ag4(5-FU)@Y, were prepared through ion-exchange of silver followed by 5-FU encapsulation in liquid phase. The developed ZDS were characterized in-depth by scanning microscopy (SEM), thermogravimetric analysis (TGA), N2 adsorption analysis, ICP-AES analyses and X-ray photoelectron spectroscopy (XPS), and successfully confirmed the incorporation of both drug-active species into the zeolite framework without inducing structural alteration. Finally, the antimicrobial properties of the ZDS were investigated against various strains of bacteria. ZDS containing both drug-active species - Ag and 5-FU - displayed lower Minimum Inhibitory Concentration (MIC) values than AgxY, indicating higher effectiveness in inhibiting bacterial growth. Ag4(5-FU)@Y resulted to be the most favourable combination exhibiting efficient encapsulation of 5-FU while containing an efficient amount of silver.

Antimicrobial Activities of Some Constituents Isolated from a Kenyan Medicinal Plant, Capparis fascicularis DC

Background of the Study. Capparis fascicularis DC. is an indigenous medicinal plant belonging to the family Capparaceae found in Nyandarua County, Nairobi, Kenya, and many parts of Africa. It is a shrub whose roots are used traditionally to treat colds. Aim. The aim of the present study is to carry out antimicrobial activities of solvent extracts of different parts of Capparis fascicularis, characterize the phytochemical constituents of the most active extract, and identify the most active compounds. Place and Duration of the Study. All the experiments were carried out in the departments of Chemistry and Microbiology, Kenyatta University, Nairobi, Kenya. Methodology. Petroleum ether, ethyl acetate, methanol, and water extracts from the leaves, stem bark, and root bark of C. fascicularis were screened against selected strains of both Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Salmonella typhimurium and Escherichia coli) bacteria using disc diffusion and tube dilution methods. Fractionation of the most active crude extract was carried out by column chromatography, and the fractions together with the most active crude extract were screened against the selected bacterial strains. The most active fraction was further fractionated, and the subfractions were screened against the bacterial strains to test for possible synergistic effects between the subfractions and their constituents. The most active fraction was then analysed by GC-MS and LC-ESI-MS methods to identify the major constituents. Results. The ethyl acetate extract of C. fascicularis root bark (CFR2) showed a significant in vitro antibacterial activity. From the seven fractions of CFR2 obtained, fraction 2 (F2) had the lowest MIC value and was thus most active. Moreover, F2 was found to be more active compared to the four subfractions obtained from it. This suggested that constituents of F2 worked in synergy. Fraction 2 contained phenols, terpenes, and flavonoids. Two compounds were identified by GC-MS as 2,4-di-tert-butylphenol and (E,E)-2,4-decadienal, while three compounds were identified by LC-ESI-MS as tanshinone II A, cryptotanshinone, and danshensu. Conclusion. The study revealed that CFR2 is the most active extract on bacteria, suggesting that most antimicrobial compounds are concentrated in the roots of C. fascicularis. A follow-up study is directed towards chromatographic separations to obtain the other chemical constituents and screen them against various strains of bacteria.

Detection of Pneumonia from Chest X-ray Images Using Transfer Learning and Ensemble Learning

Pneumonia, characterized by lung inflammation and caused by various strains of bacteria and viruses, consistently ranks as one of the top three causes of death in Singapore. Despite chest X-ray being the standard imaging test for pneumonia, its diagnostic accuracy has limitations due to factors like low specificity and subjective variance among radiographers. This research aims to enhance the diagnosis by predicting pneumonia based on chest X-ray images sourced from a Kaggle dataset with 5856 images, primarily from pediatric patients at the Guangzhou Women and Children’s Medical Center. A novel approach modifies the Kaggle data split to introduce more validation data and employs data augmentation techniques such as random flips and rotations to stabilize the model. Convolutional Neural Networks (CNNs) form the core of the prediction methodology. Simple CNNs are evaluated, followed by transfer learning models using ImageNet architectures. The models are assessed based on their weighted F1 scores, with a special emphasis on recall to ensure critical cases aren't missed. Ensemble techniques, such as voting, are explored to further enhance prediction capabilities and robustness. The paper culminates by comparing these models against existing frameworks and provides insights into their potential application in real-world medical diagnostics to further enhance the medical field.

Recent Progress and Trends in the Development of Electrospun and 3D Printed Polymeric-Based Materials to Overcome Antimicrobial Resistance (AMR).

Antimicrobial resistance (AMR) developed by microorganisms is considered one of the most critical public health issues worldwide. This problem is affecting the lives of millions of people and needs to be addressed promptly. Mainly, antibiotics are the substances that contribute to AMR in various strains of bacteria and other microorganisms, leading to infectious diseases that cannot be effectively treated. To avoid the use of antibiotics and similar drugs, several approaches have gained attention in the fields of materials science and engineering as well as pharmaceutics over the past five years. Our focus lies on the design and manufacture of polymeric-based materials capable of incorporating antimicrobial agents excluding the aforementioned substances. In this sense, two of the emerging techniques for materials fabrication, namely, electrospinning and 3D printing, have gained significant attraction. In this article, we provide a summary of the most important findings that contribute to the development of antimicrobial systems using these technologies to incorporate various types of nanomaterials, organic molecules, or natural compounds with the required property. Furthermore, we discuss and consider the challenges that lie ahead in this research field for the coming years.

Physical Conditions Prevailing in the Nasal and Maxillary Sinus Cavities Based on Numerical Simulation.

Background and Objectives: This paper presents a unique study that links the physical conditions in the nasal passage with conditions that favour the development of bacterial strains and the colonization of the mucous membranes of the nose and paranasal sinuses. The physical parameters considered were air flow, pressure, humidity, and temperature. Materials and Methods: Numerical models of the human nose and maxillary sinus were retrospectively reconstructed from CT images of generally healthy young subjects. The state-of-the-art numerical methods and tools were then used to determine the temperature, humidity, airflow velocity, and pressure at specific anatomical locations. Results: The results were compared with optimal conditions for bacterial growth in the nose and sinuses. Conclusions: Temperature, humidity, air velocity, and pressure were shown to play critical roles in the selection and distribution of microorganisms. Furthermore, certain combinations of physical parameters can favour mucosal colonisation by various strains of bacteria.

Synthesis and Characterization of Sulfur Nanoparticles of Citrus limon Extract Embedded in Nanohydrogel Formulation: In Vitro and In Vivo Studies

The study aimed to synthesize non-noxious, clean, reliable, and green sulfur nanoparticles (SNPs) from Citrus limon leaves. The synthesized SNPs were used to analyze particle size, zeta potential, UV-visible spectroscopy, SEM, and ATR-FTIR. The prepared SNPs exhibited a globule size of 55.32 ± 2.15 nm, PDI value of 0.365 ± 0.06, and zeta potential of -12.32 ± 0.23 mV. The presence of SNPs was confirmed by UV-visible spectroscopy in the range of 290 nm. The SEM image showed that the particles were spherical with a size of 40 nm. The ATR-FTIR study showed no interaction, and all the major peaks were preserved in the formulations. An antimicrobial and antifungal study of SNPs was carried out against Gram-positive bacteria (Staph. aureus, Bacillus), Gram-negative bacteria (E. coli and Bordetella), and fungal strains (Candida albicans). The study showed that Citrus limon extract SNPs exhibited better antimicrobial and antifungal activities against Staph. aureus, Bacillus, E. coli, Bordetella, and Candida albicans at a minimal inhibitory concentration of 50 μg/mL. Different antibiotics were used alone and in combination with SNPs of Citrus limon extract to evaluate their activity against various strains of bacteria and fungal strains. The study showed that using SNPs of Citrus limon extract with antibiotics has a synergistic effect against Staph.aureus, Bacillus, E. coli, Bordetella, and Candida albicans. SNPs were embedded in nanohydrogel formulations for in vivo (wound healing) studies. In preclinical studies, SNPs of Citrus limon extract embedded within a nanohydrogel formulation (NHGF4) have shown promising results. To be widely used in clinical settings, further studies are needed to evaluate their safety and efficacy in human volunteers.

Synthesis, Characterization and Preliminary Antimicrobial and Antiinfl ammatory Evaluation of New Ibuprofen Hydrazide Derivatives

Non-steroidal anti-infl ammatory medicines (NSAIDs) are medicines that are distributed widely across the world due to their ability to reduce pain and infl ammation. In order to boost the drug’s effi cacy and reduce its harmful side eff ect like GIT ulcers and bleeding, a newly synthesized series of 25-(1-(4-isobutylphenyl) ethyl)-1,3,4-oxadiazole-2-thiol derivatives compounds (C, C 1-3) were prepared from the reaction of ibuprofen hydrazide with carbon disulfi de followed by reaction with various Aryl/ alkyl halide. All target compounds were tested for antimicrobial effi cacy against various strains of bacteria (G+ve, S. pyrogenes and S. aureus) and (G-ve, E. coli and 1Klebsiella pneumoniae). Additionally, fungus species (Candida albicans). Compound C showed good antimicrobial activity for both bacterial strains. At the same time, Compound C1 have the best ant-bacterial activity compared with other synthesized compounds for1 both (G+ve), and (G-ve) bacteria, and compound C3 was the most aff ected one as antifungal. The compound C2 was with lowest antimicrobial activity. All of the produced compounds were examined for their anti-infl ammatory activity using (egg-white generate edema) and the compounds (C, C1, C3) showed good effi cacy when compared to ibuprofen (stander) FTIR and 1H-NMR spectroscopy were used to analyze all of the fi nal products.

Folliculitis Decalvans Has a Heterogeneous Microbiological Signature and Impaired Immunological Response

Background: Folliculitis decalvans (FD) is a rare primary neutrophilic scarring alopecia whose etiology has not been completely elucidated yet. Objective: The aim of the study was to determine if the follicular microbiota residing in FD-affected hair follicles had a distinct microbiological signature and if an aberrant immune response was present in the pathogenesis of FD. Methods: We conducted a cross-sectional study of 10 patients affected by FD. Trichoscopy-guided follicular biopsies were taken from affected and healthy scalp to identify the follicular microbiome using next-generation sequencing. We searched for microbiological biomarkers of FD-affected follicles using the linear discriminant analysis (LDA) effect size (LEfSe) tool. Additionally, peripheral blood mononuclear cells were obtained, and their cytokine production was quantified after incubation with pathogen-associated molecular patterns isolated from patients’ biopsies and compared with healthy controls. Results: β-diversity analysis showed statistically significant differences regarding bacteria comparing follicular microbiota of healthy and FD-affected hairs. Ruminococcaceae, Agathobacter sp., Tyzzerella sp., and Bacteriodales vadin HA21 family were good predictors of disease status. IL-10, TNF-α, and IL-6 levels were significantly decreased in patients after incubation with various strains of bacteria compared with controls. Conclusion: FD hair follicles have a specific heterogenous follicular bacterial microbiota signature. Additionally, these patients seem to have an impaired immunological response.

Synthesis, antioxidant activity, antimicrobial efficacy and molecular docking studies of 4-chloro-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol and its transition metal complexes.

Herein, a one-pot synthesis of tetra-substituted imidazole, 4-chloro-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (HL), is reported by the reaction of benzil, 5-bromosalicylaldehyde, ammonium acetate and anisidine. The synthesized imidazole was reacted with salts of 1st row transition metals (Co(ii), Ni(ii), Cu(ii), Mn(ii) and Zn(ii)) to obtain metal complexes. The structure of the compounds was confirmed using various spectroscopic and analytical techniques. HL, which is crystalline, was characterized by SC-XRD. Subsequently, the synthesized compounds were evaluated for their antioxidant and antimicrobial activities. Antimicrobial studies revealed the more noxious nature of metal complexes compared to ligand against various strains of bacteria and fungi. Molecular docking results based on the binding energy values also supported the experimental results of the antioxidant activities of the compounds. HL was found to be a better antioxidant than metal complexes. For a better insight into the structure, computational studies of the compounds were also carried out. A clear intra-molecular charge transfer was perceived in the ligand and its metal complexes. The transfer integral values for holes (36.48 meV) were found to be higher than the electron transfer integrals (24.76 meV), which indicated that the ligand would be a better hole transporter. According to the frontier molecular orbitals of the dimer, the charge transfer within the molecule is found from monomer 1 to 2.

Ag(I), In (III), and Sn (II) chelates of azo mesalamine drug: Characterization, DFT studies, molecular docking and biological evaluation

A new set of Ag(I), In (III) and Sn (II) chelates based on azo dye ligand of 5‐aminosalicylic acid (H2L) were prepared. The structures of this novel chelates have already been confirmed by elemental analysis, thermo‐gravimetric analysis, molar conductance, X‐ray diffraction (XRD), UV–Vis, Fourier‐transform infrared spectroscopy (FT‐IR), and mass spectra. The lower conductivity values showed the non‐electrolytic nature. The kinetic and thermodynamic parameters were determined through using Coats–Redfern model, also, potential application; the antibacterial activity of the target compounds was tested by examining their effect on the development of various strains of bacteria. Utilizing UV–visible absorption measurements, we investigated the interaction between calf thymus DNA and the evaluated compounds. According to the findings, the intercalative binding approach, the chelates interact with DNA by assessing the binding constants. Additionally, the in vitro antimicrobial properties of the ligand and its metal chelates were evaluated. The theoretical density functional theory (DFT) simulations for the azo dye ligand (H2L) were completed by using B3LYP/6‐311G++ (d,p) basis functions, and the B3LYP/LanL2DZ for Ag(I), In (III), and Sn (II) chelatesshows that the uninuclear Ag(I) and Sn(II) chelates under consideration have a tetrahedral geometry. Although the experimental data are in agreement with the octahedral shape for binuclear In (III) chelate. Molecular docking simulations were carried out using molecular operating environment (MOE) software for the ligand and its chelates. Docking simulation results indicated that the Ag(I) chelate was more potent and exhibited a higher affinity for the (3QKK) protein than the In (III) and Sn (II) chelates. This is in agreements with the biological evaluations under studies.