Colorimetric chromophoric rapid detection of SARS-CoV-2 through breath analysis.

Early and rapid detection of SARS-CoV-2 in an infected person is one fundamental part of the strategy against the spread of this virus. As of now, the usual practice is to carry out polymerase chain reaction (PCR) test which provides results in 24-48 hours. Hence, there exists a crucial need for rapid and immediate screening of people suspected to be infected. Presence of volatile organic compounds (VOCs) in the exhaled breath can be one such prospect for detection of virus. In this paper, we have designed chromophoric adducts of VOC's in the exhaled breath that can be formed for colorimetric detection of SARS-CoV-2. We noted the bathochromic shift in λ (nm) of VOC molecules upon chromophore formation for colorimetric detection. If adapted, this research work will result in low cost solution to the requirement of immediate detection of SARS-CoV-2, hence cost and time of testing will be reduced, compared to PCR and antibodies tests. Also VOC's detection in early stage of infection where symptoms are not visible can be advantageous.

Docking analysis of aryl derivatives of diepoxide alkylating agents.

In this research, molecular structural manipulation of treosulfan alkylating agent and resultant changes in binding is studied to assist in designing derivatives of treosulfan for synthesis. Molecular docking has been conducted on simulated heterocyclic polyaromatic alkylating diepoxide derivatives of treosulfan with DNA nucleobases of dodecamer duplex of sequences d(CGCGAATTCGCG) and d(CGCGAATTCGCG) using Autodock vina package. Two series of simulated diepoxide molecules were designed with increasing aryl ring chain in linear and fused aryl way between the two epoxide reactive rings. Relationship between increasing no. of aryl rings (both linear and fused) between epoxide moieties on the binding energy values was evaluated. We also identified that designed molecules bind specifically to Guanine and Cytosine (GC) base pairs on DNA. Mode of interaction and resultant behavior as an alkylating agent or as minor groove binder was also found to be dependent up on the no. of aryl rings and their connectivity in the molecule. Both linearly bonded and fused aryl rings in higher number, between the epoxide rings, gave the strongest binding with the binding energy up to -8.1 and -8.7 Kcal/mol, respectively. These relationships can immensely help in designing and synthesis of derivatives of treosulfan like diepoxide based alkylating agents.

Derivatives of diisopropyl phenoxyphosphate with controlled reactivity for enhancement of Acetylcholine (ACh) neurotransmitter.

Here, new phenoxide derivatives of diisopropyl flourophosphate for reaction with Lewis basic sites on acetyl cholinesterase (AChE) were designed. Such binding interaction or reaction inhibits the hydrolysis of the acetylcholine (ACh) neurotransmitter thus enhancing its concentration. This increased neurotransmitter concentration can enhance memory and cognition thus improving symptoms of neurodegenerative diseases such as Alzheimer disease and down syndrome. For docking analysis, we particularly targeted those reception sites on AChE that interacts with the ACh. This led to structural design of derivatives of diisopropyl phenoxyphosphate with controlled reactivity stemming from para substituted phenoxide leaving group. Impact of electron donating (CH3, OCH3) and withdrawing substituents (COCH3) on para position of phenol group on rate of acyl addition elimination reaction was modeled using QM DFT technique. Difference in activation energy between electron donating and withdrawing substituents on phenoxide was noted hence making the derivatives of diisopropyl phenoxyphosphate less reactive and more selective. Docking also confirmed binding of designed derivatives with AChE. Hence novel derivatives with high binding energy and controlled reactivity were designed for retrosynthesis.

A comprehensive map of copy number variations in dromedary camels based on whole genome sequence data.

Copy number variants (CNVs) are structural variants within the eukaryotic genome that vary among individuals of a species. These variants have been associated with different phenotypic traits, making them a valuable consideration as markers for designing breeding programmes. In this study, whole genome sequence data of 60 dromedary camel samples originating from the Arabian Peninsula were analyzed to construct a comprehensive dromedary CNV map. Utilizing four CNV callers employing read-depth, split-read and paired-end mapping approaches, a total of 37,519 CNV events (17,847 deletions and 19,672 duplications) were called on the dromedary autosomes. These CNV events were merged into 2,557 regions, categorized as 1,322 losses, 122 gains, and 1,113 "mixed regions" comprising both types. The cumulative size of the CNV regions amounted to 22.5 Mb, covering roughly 1.16% of the dromedary autosomes. Approximately 32% of the defined CNV regions (comprising 60% losses, 18% gains, and 0.27% mixed regions) were found in ≥ 90% of the dromedary samples, classifying them as prevalent regions. Genes with biological functions related to the different adaptive physiologies of dromedary camels, such as fertility, heat stress, musculoskeletal development, and fat metabolism, were overlapping with or in close proximity to ~ 68% of the defined CNV regions, demonstrating their potential role in dromedaries' physiology. This study presents the first comprehensive CNV map of dromedary camels and builds on the present knowledge in understanding the genetic structure of this species.

Exploring neuroglial signaling: diversity of molecules implicated in microglia-to-astrocyte neuroimmune communication.

Effective communication between different cell types is essential for brain health, and dysregulation of this process leads to neuropathologies. Brain glial cells, including microglia and astrocytes, orchestrate immune defense and neuroimmune responses under pathological conditions during which interglial communication is indispensable. Our appreciation of the complexity of these processes is rapidly increasing due to recent advances in molecular biology techniques, which have identified numerous phenotypic states of both microglia and astrocytes. This review focuses on microglia-to-astrocyte communication facilitated by secreted neuroimmune modulators. The combinations of interleukin (IL)-1α, tumor necrosis factor (TNF), plus complement component C1q as well as IL-1ß plus TNF are already well-established microglia-derived stimuli that induce reactive phenotypes in astrocytes. However, given the large number of inflammatory mediators secreted by microglia and the rapidly increasing number of distinct functional states recognized in astrocytes, it can be hypothesized that many more intercellular signaling molecules exist. This review identifies the following group of cytokines and gliotransmitters that, while not established as interglial mediators yet, are known to be released by microglia and elicit functional responses in astrocytes: IL-10, IL-12, IL-18, transforming growth factor (TGF)-ß, interferon (IFN)-γ, C-C motif chemokine ligand (CCL)5, adenosine triphosphate (ATP), l-glutamate, and prostaglandin E2 (PGE2). The review of molecular mechanisms engaged by these mediators reveals complex, partially overlapping signaling pathways implicated in numerous neuropathologies. Additionally, lack of human-specific studies is identified as a significant knowledge gap. Further research on microglia-to-astrocyte communication is warranted, as it could discover novel interglial signaling-targeted therapies for diverse neurological disorders.

Assessing genetic diversity and defining signatures of positive selection on the genome of dromedary camels from the southeast of the Arabian Peninsula.

Dromedary camels (Camelus dromedarius) are members of the Camelini tribe within the Camelidae family. They are distributed throughout North Africa, the Arabian Peninsula and Southeast Asia. This domestic species is characterized by its superior adaptability to the harsh desert environment. In this study, whole autosomal data of 29 dromedary samples from the Southeast Arabian Peninsula in Oman; 10 from Muscat, 14 from Al-Batinah, and 5 from Al-Sharqiya, were investigated to assess their genetic relationship and to define candidate signatures of positive selection. A minimal genetic distinction that separates Muscat dromedaries from the other two populations was observed, with a degree of genetic admixture between them. Using the de-correlated composite of multiple signals (DCMS) approach, a total of 47 candidate regions within the autosomes of these dromedary populations were defined with signatures of positive selection. These candidate regions harbor a total of 154 genes that are mainly associated with functional categories related to immune response, lipid metabolism and energy expenditure, optical and auditory functions, and long-term memory. Different functional genomic variants were called on the candidate regions and respective genes that warrant further investigation to find possible association with the different favorable phenotypes in dromedaries. The output of this study paves the way for further research efforts aimed at defining markers for use in genomic breeding programs, with the goal of conserving the genetic diversity of the species and enhancing its productivity.

An experimental vignette study to assess stigmatized attitudes towards tobacco smokers in Kuwait.

INTRODUCTION: Smoking is the most common method to consume tobacco. Although the prevalence of smoking is on the increase among females, it is still shown to be lower when compared with males, as there is a buildup of stigma towards tobacco smokers, with structural discrimination beginning to emerge. This study explored the effect of gender on stigmatizing attitude and behavior towards tobacco smokers. METHODS: An experimental vignette study design was used to explore the effect of gender on stigmatizing attitudes towards tobacco smokers of 151 students of both genders from Kuwait University. Students were divided into control and experimental groups and were provided with describing vignettes of male (control) and female (experimental) tobacco smokers along with the standard stigmatization questionnaire 1 (SSQ1). Data were analyzed using independent samples t-test, a p-value <0.05 was considered as statistically significant. RESULTS: Female smokers were more stigmatized than male smokers (p=0.007). In social self-interest, more students think that it is socially acceptable for men to smoke than it is for women (p<0.001). In evolutionary self-interest, there was a significant difference between the participants in accepting to marry or to have a relative who is a smoker (p<0.001), indicating disapproval for female smokers. In psychological self-interest, female tobacco smokers were not considered as good parents compared to male tobacco smokers (p=0.003). CONCLUSIONS: The findings of the study indicate the presence of stigmatizing attitudes towards female tobacco smokers in contrast to male tobacco smokers.

Role of Chrysomya albiceps (Diptera: Calliphoridae) and Musca domestica (Diptera: Muscidae) Maggot Crop Contents in Identifying Unknown Cadavers.

Forensic entomology focuses on the analysis of insect larvae present at crime scenes to help identify unknown cadavers. Carrion-feeding maggots store food in a crop located at the anterior end of the gut. DNA recovered from the crop can be amplified, sequenced, and identified to determine the origin of the food. This information could help investigators to identify a missing victim if maggots are discovered at a crime scene in the absence of a corpse. Chrysomya albiceps (Wiedemann) and Musca domestica (Linnaeus) are primary forensic species. Little or no information on the identification of unknown cadavers using C. albiceps and M. domestica larvae is available, and we aimed to compare the effectiveness of using the crop contents of instars of C. albiceps and M. domestica larvae to identify corpses at different time intervals. Two hundred and forty larvae of both species were reared on rat and/or mouse liver, and DNA from crop contents was extracted after different time intervals from different instar larvae. DNA was amplified using specific primers that match the mitochondrial cytochrome oxidase subunit I (mt COI) gene of the food source. Results showed that food provided to larvae affected life span and the ability to be used to identify unknown cadavers. Chrysomya albiceps larvae proved more useful than M. domestica larvae. Moreover, crop contents of third instar larvae of both species fed for 24 h are more useful than contents from other time intervals in identifying unknown tissues. Results are promising and may help investigators to identify unknown/missing victims.