Publications

CCDC 808888: Experimental Crystal Structure Determination

Incorporating omics-based tools into endophytic fungal research

Fungal endophytes are valuable sources of bioactive compounds with diverse applications. The exploration of these compounds not only contributes to our understanding of ecological interactions but also holds promise for the development of novel products with agricultural, medicinal, and industrial significance. Continued exploration of fungal endophyte diversity and understanding the ecological roles of bioactive compounds present opportunities for new discoveries and applications. Omics techniques, which include genomics, transcriptomics, proteomics, and metabolomics, contribute to the discovery of novel bioactive compounds produced by fungal endophytes with their potential applications. The omics techniques play a critical role in unraveling the complex interactions between fungal endophytes and their host plants, providing valuable insights into the molecular mechanisms and potential applications of these relationships. This review provides an overview of how omics techniques contribute to the study of fungal endophytes.

CCDC 1032633: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 773614: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Connection between Gut Microbiota and Neurodegenerative Diseases

Incorporation and delivery of an organoselenium antioxidant from a brushite cement

An inflammatory reaction occurs following biomaterial implantation in the body, which produce toxic byproducts such as reactive oxygen species (ROS). Although ROS is required to clear the wound, excessive ROS can damage the tissue around the implant site, eventually leading to implant failure. One approach to control the inflammatory response is to incorporate an antioxidant into the biomaterial in order to scavenge ROS produced by activated phagocytes. In the present study, an organoselenium antioxidative compound was incorporated into a brushite cement, with the goal of scavenging ROS generated from activated primary human mononuclear leukocytes (MNCs), in vitro. The effect of the antioxidant on the physical properties of brushite cement, and its release from the cement were investigated via compressive strength, setting time, phase composition, and UV spectroscopy analysis. The physical properties of brushite remained unchanged following incorporation of the antioxidant. The antioxidant was slowly released from the cement, following a non-Fickian transport mechanism, with approximately 60% of the loaded antioxidant released over five days. The released antioxidant was then tested for its ability to scavenge ROS released by MNCs using the luminol amplified chemiluminescence assay. The results show that antioxidative released at both early stages (24h) and late stages (120h) retained its scavenging capacity and effectively reduced ROS production. These results indicate that brushite cements loaded with organoselenium compounds can modulate ROS production after implantation and potentially modulate the inflammatory response to improve device integration.

Re: In search of a better clinic letter for general practitioners

No abstract is provided for this article.

Synthesis, Reactions, and Antioxidant Properties of Bis(3-amino-1-hydroxybenzyl)diselenide

Bis(3-amino-1-hydroxybenzyl)diselenide containing two ortho groups was synthesized from 7-nitro-3H-2,1-benzoxaselenole and in situ generated sodium benzene tellurolate (PhTeNa). One-pot synthesis of 1,3-benzoselenazoles was achieved from bis(3-amino-1-hydroxybenzyl)diselenide and aryl aldehydes using acetic acid as a catalyst. The X-ray crystal structure of chloro-substituted benzoselenazole revealed a planar structure with T-shaped geometry around the Se atom. Both natural bond orbital and atoms in molecules calculations confirmed the presence of secondary Se···H interactions in bis(3-amino-1-hydroxybenzyl)diselenide and Se···O interactions in benzoselenazoles, respectively. The glutathione peroxidase (GPx)-like antioxidant activities of all compounds were evaluated using a thiophenol assay. Bis(3-amino-1-hydroxybenzyl)diselenide and benzoselenazoles showed better GPx-like activity compared to that of the diphenyl diselenide and ebselen, used as references, respectively. Based on 77Se{1H} NMR spectroscopy, a catalytic cycle for bis(3-amino-1-hydroxybenzyl)diselenide using thiophenol and hydrogen peroxide was proposed involving selenol, selenosulfide, and selenenic acid as intermediates. The potency of all GPx mimics was confirmed by their in vitro antibacterial properties against the biofilm formation of Bacillus subtilis and Pseudomonas aeruginosa. Additionally, molecular docking studies were used to evaluate the in silico interactions between the active sites of the TsaA and LasR-based proteins found in Bacillus subtilis and Pseudomonas aeruginosa.

Effect of zileuton in radicular pain induced by herniated nucleus pulposus in rats

Arachidonic acid metabolites, prostaglandins and leukotrienes are detected in clinical cases of herniated nucleus pulposus. However, little is known about

12‐minute consultation: an evidence‐based approach to the management of dysphagia

Background Dysphagia is frequently encountered by the otolaryngologist and due to its diverse aetiologies often poses a diagnostic challenge. Of particular importance in diagnosis is to distinguish between oropharyngeal and oesophageal dysphagia. This article aims to provide a systematic, concise and evidence‐based method of managing the patient with dysphagia. Method This review was based on a literature search last undertaken on 15 January 2013. The MEDLINE , EMBASE and Cochrane databases were searched using the subject heading dysphagia in combination with classification, diagnosis, investigations, management, treatment and surgery. Results were limited to English language articles including case series, clinical trials, randomised controlled trials, meta‐analyses, systematic reviews and review articles. Relevant references from selected articles were also reviewed. Results The majority of published literature for dysphagia is of level II / III evidence, with 16 relevant randomised controlled trials identified. The clinical history is of paramount importance in delineating the cause of dysphagia. There is no significant difference regarding the diagnostic efficacy of fibreoptic endoscopic evaluation of swallowing compared to videofluoroscopy, and where indicated and practicable, these investigations complement each other. In general, structural causes of dysphagia are managed surgically, whereas swallowing therapy is efficacious in managing dysphagia due to neuromyogenic disorders. Conclusions A structured history of dysphagia and its associated symptoms, flexible laryngoscopy and endoscopic assessment of swallowing where relevant in addition to targeted investigations should lead to the correct diagnosis and appropriate management.

Assessment of Aridity Using Geographical Information System in Zayandeh-Roud Basin, Isfahan, Iran

Rapid growth of population and human activities has caused a perceptible change in the climate in some parts of Zayandeh-Roud Basin (Z.R.B.).High temperatures and aridity in some parts are a growing environmental problem.Assessment and monitoring of aridity is essential to protect desertification and mitigate drought.A Geographical Information System (GIS) was used in this paper for the assessment of (Z.R.B) using climatic data collected from 11 stations situated in the basin.In order to assess aridity, three well-known aridity models, viz De Martonne Aridity Index, Thornthwait Precipitation Effectiveness index and UNESCO Aridity Index, were used.Result showed that climate of Z.R.B is mostly becoming drier.There exists a small climatically wet zone in the area.

Progressive vulnerability of cortical synapses in α-synucleinopathy

ABSTRACT α-Synuclein aggregates are a hallmark of multiple neurodegenerative disorders, including Parkinson’s disease and dementia with Lewy bodies. Cortical pathology in these diseases correlates with cognitive decline. This pathology may progressively impact synaptic connectivity, and we tested this in the frontal cortex in a α-synucleinopathy model. High-resolution imaging showed that intracortical VGLUT1-positive excitatory synapses became increasingly vulnerable, exhibiting early loss near aggregates. The remaining intracortical excitatory synapses were structurally disrupted as measured by high-resolution imaging and electron microscopy. These effects were accompanied by synaptic α-syn accumulation. Ontology analysis of gene expression changes in pathology-bearing neurons showed altered synapse-related processes, with upregulated genes indicating candidate resilience mechanisms. Analyses informed by neuroanatomical connectivity provided additional insights. Mesoscans determined that synapse loss is correlated between cortical layer V and layer II/III, which includes neurons projecting to layer V. Analysis across cortical hemispheres supported a vulnerability of intratelencephalic (IT) projection neurons in layer V. In contrast to intracortical synapses, long-range VGLUT2+ excitatory synapses were spared. Inhibitory VGAT+ synapses were modestly impacted, with a late-stage reduction in postsynaptic specializations. Electrophysiological recordings validated impaired excitatory transmission. This study reveals progressive, synapse-type specific vulnerabilities and resilience and characterizes intracortical synapses as cellular locus of disrupted connectivity in α-synucleinopathy.

CCDC 2207550: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1047473: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Glutathione Peroxidase‐Mimics Organoselenium Amines: Anti‐Ferroptotic Properties and an In Silico Study of 15‐Lipoxygenase‐2

In search for better synthetic antioxidants, aminic organoselenides carrying amine and benzamide groups at ortho‐positions to the selenium atom were synthesized from alkyl halides and in situ generated sodiumselenolates as nucleophile by the sodium borohydride reduction of corresponding diselenides. The single crystal X‐ray structure of one compound showed the weak intramolecular Se×××H interactions with free amine group. The presence of Se···H interactions was confirmed using natural bond orbital (NBO) and atoms in molecules (AIM) calculations, respectively. The glutathione peroxidase enzyme (GPx)‐like antioxidant activity of all compounds was evaluated using thiophenol assay. The best antioxidant exhibited nearly 5 and 10 times greater activities than Oct2Se2 and Ph2Se2 used as references, respectively. The most active catalysts carrying a strong electron‐donating group were further investigated at different concentrations of thiol for determining the catalytic parameters. These GPx mimics have shown anti‐ferroptotic activity in a 4–OH‐tamoxifen (TAM) inducible GPx4 knockout cell line and protected cells from cell death induced by loss of GPx4 enzyme. In silico molecular docking studies showed that all antioxidants demonstrated promising Moldock scores with human 15‐lipoxygenase‐2 enzyme.

Selenium- and Tellurium-Based Antioxidants for Modulating Inflammation and Effects on Osteoblastic Activity

Increased oxidative stress plays a significant role in the etiology of bone diseases. Heightened levels of H2O2 disrupt bone homeostasis, leading to greater bone resorption than bone formation. Organochalcogen compounds could act as free radical trapping agents or glutathione peroxidase mimetics, reducing oxidative stress in inflammatory diseases. In this report, we synthesized and screened a library of organoselenium and organotellurium compounds for hydrogen peroxide scavenging activity, using macrophagic cell lines RAW264.7 and THP-1, as well as human mono- and poly-nuclear cells. These cells were stimulated to release H2O2, using phorbol 12-myristate 13-acetate, with and without organochalogens. Released H2O2 was then measured using a chemiluminescent assay over a period of 2 h. The screening identified an organoselenium compound which scavenged H2O2 more effectively than the vitamin E analog, Trolox. We also found that this organoselenium compound protected MC3T3 cells against H2O2-induced toxicity, whereas Trolox did not. The organoselenium compound exhibited no cytotoxicity to the cells and had no deleterious effects on cell proliferation, viability, or alkaline phosphatase activity. The rapidity of H2O2 scavenging and protection suggests that the mechanism of protection is due to the direct scavenging of extracellular H2O2. This compound is a promising modulators of inflammation and could potentially treat diseases involving high levels of oxidative stress.

CCDC 808892: Experimental Crystal Structure Determination

Cadastral level agricultural resources planning through remote sensing and GIS techniques

An attempt has been made for agricultural resources planning of the village Jalondar (District Junagadh, Gujarat) using Remote Sensing and GIS Techniques. Out of five micro-watersheds in the village area, a micro-watershed having an area of 602.83 ha was selected for preparing the action plan. Maps on various themes such as land use/land cover, soil texture, slope and drainage pattern were prepared using remote sensing image (IRS P6 LISS IV image) and Arc View and ENVI softwares. Arc View software was used for preparation of thematic maps while the Environment for Visualizing Images (ENVI) software was used for registration and superimposition of cadastral map with thematic maps. Rational method was used to estimate the peak runoff rate while curve number method was used to estimate the runoff volume. Information available from various thematic maps was used for designing various soil and water conservation measures such as contour bunding, staggered contour trenches, continuous contour trenches, loose rock dams and water harvesting structures. Annual water storage capacities of suggested structures were estimated at 69.89, 14.10, 9.45, 1.48 and 6.78 ha-m, respectively. The suggested conservation measures fulfill the existing water resource gap (167.76 mm) of watershed at 60% probability of rainfall.