bluuebunny/crossref_metadata_2025_split huggingface dataset:
CoSSDb: A Database of Co-crystallized Ligand Sub-structures for Anticancer Lead Designing & Optimization
Authors: Prakash Om , Khan Feroz 
Published: December 2022

AbstractThe Discovery of the novel optimized structures of small molecules for selective targeting is one of the challenging tasks in drug designing. Bioisosteres are the key components of the lead compound, which provide hidden power to the compound scaffold for selective targeting. We are presenting a database, named CoSSDb which stands for Co-crystallized Sub-Structure Database. The CoSSDb contains ligand sub-structures as possible bioisosteres. extracted from PDB files, available in Protein Data Bank. Sub-structures were extracted through an algorithm, which utilizes the location of atoms in the 3D domain of the complex ligand & protein. It processes the relative positioning of atoms for demarcation of the influential part of the ligand, which interacts with macromolecule and provides potency to that ligand for binding with a specific binding pocket of the protein. The algorithm was used to extract sub-structures from the ligands co-crystallized with proteins involved in cancer. About 7721 x-ray crystallography PDB files were processed, and 654 non-redundant substructures were identified. These sub-structures will be useful during designing & optimization of novel ligands for selective targets. The database is freely accessible at ‘https://opticket49.wixsite.com/substructdb’.
Loss of Function of Sth1, The Catalytic Component of RSC (Remodel the Structure of Chromatin) Complex Grossly Alter the Chromatin Architecture
Authors: Prasad Priya 
Published: December 2022

AbstractChromatin architecture has a profound effect on the gene expression in eukaryotes. It is constantly modulated in the cells in response to different stress condition and during the normal physiological process in the cell. The chromatin is also modulated during the cell growth and division, where several proteins involved during the cell cycle are synthesized, and hence the gene expression profile and chromatin state of an actively dividing cell differ from that of a resting cell in G0 state. Candida albicans, which is a harmless commensal in human host and an opportunistic fungal pathogen also show dynamic chromatin architecture, and this is facilitated by the several epigenetic determinants, which modulate the chromatin architecture. In this context, RSC (Remodel the structure of chromatin) complex in C. albicans is previously shown to be crucial for cell viability and to carry out several DNA templated events, like kinetochore function and cohesion enrichment. To correlate the role of RSC in kinetochore function with the chromatin architecture at centromeric and non-centromeric region, here we have shown that the chromatin at non-CEN7 regions shows lesser occupancy of nucleosomes in absence of Sth1 protein (catalytic component of RSC complex), which is due to the reduced binding but not due to the reduced expression of the histones.
Docking and Molecular Dynamics Simulation Studies for the Evaluation of Laccase Mediated Biodegradation of Triclosan
Authors: Ranimol G. , Devipriya C. B. , Sunkar Swetha 
Published: December 2022

AbstractTriclosan (TCA) is an antibacterial and antimicrobial compound that is incorporated into toothpaste, soap, and liquid dishwasher. Continuous TCA exposure may contribute to the emergence of antibiotic-resistant bacteria in the microbiome. Triclosan also reacts to form dioxins, which bioaccumulate and are toxic to aquatic organisms, impedes the thyroid hormone metabolism of the human body. Laccases are multi copper-containing enzymes that can degrade the aromatic compounds and thus reduce their toxicity. To effectively degrade the compound, it is essential to understand the molecular function of the enzyme. Hence, a molecular docking study of laccase enzymes with Triclosan was done. The Tramates versicolor laccase structure was retrieved from PDB and ligand structure was taken from Pubchem. The binding mode and interaction of TCA and laccase were studied using Auto dock Vina software and the stability of the docked complex had been explored via Molecular Dynamics (MD) simulation study using Schrodinger Desmonde. The binding affinity score was found to be −6.5kcal/mol. The majority of the residues in RMSF were within the 2.5Å limit. The radius of gyration remained within the range from 21.7 to 22.1Å for Laccase – TCA complex throughout the 50 ns simulation. MD simulation results show that the enzyme complex remains stable all through the catalytic action.
Pomegranate Extract Protects Endothelial Cells from TNF-α Associated Damage
Authors: Vini Ravindran , Sreekumar Sreeja , Azeez Juberiya M. , Sreeharshan Sreeja 
Published: December 2022

AbstractPomegranates are known for being rich in polyphenols and are considered to have immense therapeutic potential. The present study investigates the hypothesis that the Methanolic Extract of Pomegranate (PME), a rich source of antioxidants, may reverse the adverse effects of TNF-α in endothelial cells. This was done by pre-treating the endothelial cells EA.hy926 with PME (80 µg/ml) before subjecting them to apoptotic stimuli, which was TNF-α in combination with cyclohexamide. PME was found to rescue a population of cells from apoptosis induced by TNF-α modulating the levels of BCL2 and BAX involved in intrinsic apoptotic pathway. PME was found to increase the BCL-2/BAX ratio and reverse the elevated levels of effector caspase and thus assist cells to escape from apoptotic stimuli. Also, the extract was found to attenuate oxidative stress by reducing the levels of Reactive Oxygen Species (ROS). Supplementing its anti-atherosclerotic potential, PME pre-treatment diminished the elevated levels of adhesion molecules like VCAM upon TNF-α treatment. PME may therefore have therapeutic implications in protecting the endothelium from TNF-α triggered atherosclerosis.
Nanotechnology in COVID-19 Vaccines
Authors: Jain Ananya , Sharma Shilpa 
Published: December 2022

AbstractNanotechnology has been proposed in vaccine development as carriers and adjuvants time and again but received limited recognition before the development of vaccines for the COVID-19 pandemic. Nanotechnology has played a pivotal role in the triumph of the vaccines for the current pandemic caused by the SARS-CoV-2 virus. The first vaccine got approved within a year of the earliest reported case of the novel coronavirus. Presently, more than 35 vaccines are approved in at least one country, 10 out of which are sanctioned for emergency use by the WHO. The key categories include peptide vaccine, mRNA vaccine, inactivated & viral vector vaccines. Nanotechnology is a crucial component in the success of mRNA vaccines. Nanoparticles not only allow targeted drug delivery but also boost the pharmacokinetic profile and the immune response against the therapeutic. A few nanoparticles have received approval for use as adjuvants (MF59), and countless others (virosomes, PGLA) are under development for many vaccines for infectious diseases, for instance, Influenza, Hepatitis B, Human Papillomavirus, Malaria, Tuberculosis, etc. In this article, we will review the vaccines available against SARS-CoV-2 with a focus on the nanotechnology utilized in their development.
Antimicrobial Activity of Some Essential Oils Against Pseudomonas aeruginosa
Authors: Srivastava Anmol , Kumar Vivek , Agarwal Vishnu 
Published: December 2022

AbstractThe emergence of multidrug resistance in bacteria due to overuse of antibiotics is becoming an important health concern in recent years, which requires development of novel alternatives to fight against these bacteria. Essential oils (EOs) are secondary metabolites that have different components and chemical compositions which may provide promising solution to the problem of rising number of drug resistant bacteria, as they can effectively kill bacteria. Here, in this study our aim is to determine the efficacy of lemongrass, rosemary, clary sage, geranium and tea tree essential oil against Pseudomonas aeruginosa, using agar well diffusion method. The minimum inhibitory concentration (MIC) of these EOs were also determined. The chemical composition of these essential oils were known by gas chromatography-mass spectrometry (GC-MS) analysis. It was revealed in this study that most of the essential oils show antimicrobial property against the test bacterium. The MIC of lemongrass is 0.25% (v/v), rosemary is 1% (v/v), clary sage is 2% (v/v), geranium is 0.5% (v/v) and for tea tree oil is 1% (v/v). We can infer from this data that lemongrass, rosemary, clary sage, geranium and tree oil can be utilized to treat infections caused by Pseudomonas aeruginosa, which is a gram-negative bacterium.
Phytochemicals as Potential Drug Candidates for SARS Cov-2: An RDRp Based In-Silico Drug Designing
Authors: Joy Christy , Cyriac Marria C. 
Published: December 2022

AbstractThe global pandemic that the world is currently witnessing, COVID-19, even with vaccines available, the test positivity rate (TPR) tends to remain highly threatening. This research focuses on identifying phytochemicals, previously known for their broad-spectrum antiviral properties which can be potential drug candidates for theSARS-CoV-2. A total of 225 phytocompounds (downloaded from PubChem database) are docked against targetprotein (downloaded from PDB database) of SARS-CoV-2using the POAP pipeline. The target protein is the RDRp complex. They are screened according to their binding affinity values and the filtered phytochemicals are then subjected to various analyses including ADME properties (preADMET, swissADME), bioactivity score, and molecular properties (molinspiration), drug-likeness (preADMET), lipophilicity, water solubility, and pharmacokinetics (swissADME). The receptor-ligand interactions and the amino acid positions are obtained using Discovery Studio Visualiser. Molecular dynamic simulation studies are performed to reveal key receptor-drug interactions that must be formed to achieve tight drug binding and also to predict stability. Out of the 225, 10 phytochemicals showed the best scores and more probability of drug action. Compounds that showed promising drug action potential include oriciacridone, corilagin, cinchophyllamine, sophaline D, amentoflavone, cryptomisrine, ginkgetin, hypericin, pseudojervine, dieckol, hinokiflavone, robustaflavone, solamargine. The research herein provides new possibilities for in vitro and in vivo analyses of the proposed ligands to develop new drugs againstSARS-CoV-2.
Nanozymes for Neurodegenerative Diseases
Authors: Yadav Divyansh , Nara Seema 
Published: December 2022

AbstractNeurodegenerative diseases are incurable diseases that get worse as time passes. These diseases are very heterogeneous in nature but have common characteristics like abnormal deposition of protein, glycation, inflammation in particular areas of the brain, and progressive neuronal loss due to oxidative stress. Among these, oxidative stress alone causes a high level of degeneration of neurons. To reduce oxidative stress, natural antioxidants are used but they have some drawbacks like instability, high cost and low reusability. To overcome this, nanozymes are introduced and we have emphasized on major nanozymes whose antioxidant capability has been proven which are gold nanozymes, fullerene, nanoceria, and quantum dots. Gold nanoparticles and their conjugates with other molecules can mimic the enzymatic activity of superoxide dismutase and catalase which decrease the amount of hydrogen peroxide and superoxide radicals in cells. Gold Nanozyme treatment reduces the oxidative stress, nitrite, and sulfhydryl levels in the brain and also rectifies the superoxide dismutase, glutathione, and catalase activity levels. Fullerenols has shown superoxide dismutase activity which was 268 times more effective than mannitol and 37 times more effective than Vitamin E for lipid radicals. Nanoceria has the ability to mimic Superoxide Dismutase as well as catalase activity, can also detoxify peroxynitrite. Quantum dots (QDs) like Graphene Oxide QDs can scavenge the reactive oxygen species and also show indirect activity which alleviates the pathogenesis of the disease. Thus, a nanozyme can be used as an efficient nanomedicine if it is tailored to possess high catalytic activity while eliminating all complications.
Speeding up recursive solutions using memoization
Authors: Dolinsky M. S. 
Published: December 2022

In the article, using the example of solving two problems, the methodology for studying the theme "Speeding up recursive solutions using memoization" is illustrated in preparing schoolchildren for Olympiads in informatics. The study is based on the sequential solution of increasingly complex problems. For each problem the following materials are given: the formulation of the problem, the idea of a solution with a proposal to come up with an implementation on their own, the solution in the Pascal programming language. Distance learning system (http://dl.gsu.by) is the effective technical base for teaching. The system allows to offer for a student a formulation of the problem; to submit the solution for review; to get a verdict from the system — a correct or incorrect solution; for incorrect solution, the number of the test on which the solution did not pass is indicated. A student can take a test (input and output data), on which his solution did not pass, figure out what the error is in his program, correct and send the solution again. In addition, for each problem there is a link on it to the topic in the forum at site, where you can ask a question onsolving this problem and / or read the answer if the questions have already been asked before.
Assosiation between Serum Cortisol Levels and Anxiety levels In Elective and Emergency Cesarean Section
Authors: O. S. Nurdin Nadia , J. E. Wantania John , A. A. Mewengkang Ronny 
Published: December 2022

Objective: To detect anxiety before elective and emergency cesarean section.
Methods: This study was a cross-sectional study. The number of research samples was 42 samples consisting of 21 pregnant patients with an elective cesarean section plan and 21 pregnant patients with an emergency cesarean section at Prof. RSUP. Dr. R. D. Kandou Hospital Manado and Network Hospital in Manado from March 2021 to June 2021. Anxiety was assessed by examining serum cortisol and anxiety levels according to the Hamilton questionnaire (HAM-A). The data were then analyzed using SPSS version 23.0 software.
Results: Cortisol levels were higher in emergency cesarean section (mean 21.590±11.6392) compared to elective cesarean section (mean 10.586±4.9501). Anxiety levels according to HAM-A scores were higher in emergency cesarean section (mean 15.33±7.722) compared to elective cesarean section (mean 7.19±3.614).
Conclusion: There was a significant positive correlation between cortisol levels and anxiety levels based on HAM-A scores.
Keywords: cesarean section , cortisol, HAM-A score. anxiety,
Abstrak
Tujuan: Untuk mendeteksi kecemasan sebelum tindakan seksio sesarea elektif dan emergensi.
Metode: Penelitian ini merupakan suatu penelitian cross-sectional. Jumlah sampel penelitian 42 sampel terdiri dari 21 pasien hamil dengan rencana seksio sesarea elektif dan 21 pasien hamil dengan rencana seksio sesarea emergensi di RSUP Prof. Dr. R. D. Kandou Manado dan RS Jejaring di Kota Manado dari bulan Maret 2021 sampai bulan Juni 2021. Kecemasan dinilai melalui pemeriksaan kortisol serum dan tingkat kecemasan menurut kusioner Hamilton (HAM-A). Data kemudian dianalisis dengan menggunakan software SPSS versi 23.0.
Hasil: Kadar kortisol secara rata-rata lebih tinggi pada seksio sesarea emergensi (mean 21.590±11.6392) dibandingkan dengan seksio sesarea elektif (mean 10.586±4.9501). Tingkat kecemasan menurut skor HAM-A secara rata-rata lebih tinggi pada seksio sesarea emergensi (mean 15.33±7.722) dibandingkan dengan seksio sesarea elektif (mean 7.19±3.614).
Kesimpulan: Terdapat korelasi positif bermakna antara kadar kortisol dan tingkat kecemasan berdasarkan skor HAM-A pada semua subjek penelitian.
Kata kunci: kortisol, seksio sesarea, skor HAM-A. kecemasan
Decolonizing Indigenous Educational Policies
Authors: Abawi Zuhra , Brady Janelle 
Published: December 2022

<p>The paper addresses three educational policy documents created by the Ontario Ministry of Education and the Ontario Ministry of Advanced Education and Skills Development (formerly known as the Ontario Ministry of Training, Colleges and Universities [MTCU]) to target and minimize the ‘achievement gap’ of Indigenous children and youth. The policy documents come at a critical time in which statisticians predict a significant increase in Indigenous populations across Ontario as well as Canada (MTCU, 2011). We critique the policy documents and argue that they represent tools of neo-colonialism that maintain dichotomous power relations in which Indigenous communities are positioned as dependent on the white settler Canadian state as providers. Through an anti-colonial theoretical framework, we interrogate the self-purported altruism on the part of the Canadian government toward Indigenous education initiatives, which masks the neo-liberal agenda of ensuring that the growing Indigenous populations are conforming to the competitive demands of the marketeconomy. </p>
Molecular Characterization of Aspergillus flavus Strains Isolated from Animal Feeds
Authors: Saber Hadjer , Chebloune Yahia , Moussaoui Abdallah 
Published: December 2022

Abstract
Aflatoxin (AF)-producing fungi such as Aspergillus flavus commonly contaminate animal feeds, causing high economic losses. A. flavus is the most prevalent and produces AFB1, a potent mutagen, and carcinogen threatening human and animal health. Aspergillaceae is a large group of closely related fungi sharing number of morphological and genetic similarities that complicate the diagnosis of highly pathogenic strains. We used here morphological and molecular assays to characterize fungal isolates from animal feeds in Southwestern Algeria. These tools helped to identify 20 out of 30 Aspergillus strains, and 15 of them belonged to the Aspergillus section Flavi. Further analyses detected four out of 15 as belonging to Aspergillus flavus-parasiticus group. PCR targeting the AF genes’ aflR-aflS(J) intergenic region amplified a single 674 bp amplicon in all four isolates. The amplicons were digested with a BglII endonuclease, and three specific fragments were observed for A. flavus but A. parasitucus lacked two typical fragments. Sequencing data of four amplicons confirmed the presence of the two BglII restriction sites yielding the three fragments, confirming that all four strains were A. flavus. In addition, this analysis illustrated the genetic variability within the A. flavus strains.
Isolation, Identification, and Fermentation Medium Optimization of a Caproic Acid‑Producing Enterococcus casseliflavus Strain from Pit Mud of Chinese Strong Flavor Baijiu Ecosystem
Authors: Luo Hao , Li Tao , Zheng Jia , Zhang Kaizheng , Qiao Zongwei , Luo Huibo , Zou Wei 
Published: December 2022

Abstract
Caproic acid is the precursor material of ethyl hexanoate, a representative flavor substance in strong flavor baijiu (SFB). Increasing the content of caproic acid in SFB helps to improve its quality. In the present study, caproic acid-producing bacteria from the pit mud of an SFB ecosystem were isolated, purified, and characterized. Strain BF-1 with the highest caproic acid yield (0.88 g/l) was selected. The morphological and molecular identification analysis showed that strain BF-1 was Enterococcus casseliflavus. The genome of E. casseliflavus BF-1 was sequenced and was found to be 2,968,377 bp in length with 3,270 open reading frames (ORFs). The caproic acid biosynthesis pathway in E. casseliflavus BF-1 was predicted based on the KAAS annotation. The virulence factors in the genome of strain BF-1 were annotated, which showed that E. casseliflavus BF-1 is safe at the genetic level. After adding essential nutrients based on the KAAS annotation, the optimum medium conditions for acid production by strain BF-1 were obtained by performing orthogonal experiments. The caproic acid yield of strain BF-1 reached 3.03 g/l, which was 3.44-fold higher than the initial yield. The optimized fer-
mentation of caproic acid production by BF-1 was reported for the first time. The strain could be further used to regulate the ecosystem in baijiu production to improve its quality.
Omicron SARS-CoV-2 Variants in an In Silico Genomic Comparison Study with the Original Wuhan Strain and WHO-Recognized Variants of Concern
Authors: Elssaig Elmutuz H. , Alnour Tarig M.S. , Ullah Mohammad Fahad , Ahmed-Abakur Eltayib H. 
Published: December 2022

Abstract
This study aimed to determine the genetic alterations in the Omicron variants compared to other variants of concern (VOCs) to trace the evolutionary genetics of the SARS-CoV-2 variants responsible for the multiple COVID-19 waves globally. The present study is an in silico analysis determining the evolution of selected 11 VOCs compared to the original Wuhan strain. The variants included six Omicrons and one variant of Alpha, Beta, Delta, Gamma, and Mu. The pairwise alignment with the local alignment search tool of NCBI Nucleotide-BLAST and NCBI Protein-BLAST were used to determine the nucleotide base changes and corresponding amino acid changes in proteins, respectively. The genomic analysis revealed 210 nucleotide changes; most of these changes (127/210, 60.5%) were non-synonymous mutations that occurred mainly in the S gene (52/127, 40.1%). The remaining 10.5% (22/210) and 1.9% (4/210) of the mutations were frameshift deletions and frameshift insertions, respectively. The frameshift insertion (Ins22194T T22195G) led to frameshift deletion (Δ211N). Only four mutations (C241T, C3037T, C14408T, and A23403G) were shared among all the VOCs. The nucleotide changes among Omicron variants resulted in 61 amino acid changes, while the nucleotide changes in other VOCs showed 11 amino acid changes. The present study showed that most mutations (38/61, 62.3%) among Omicron variants occurred in the S gene; and 34.2% of them (13/38) occurred in the receptor-binding domain. The present study confirmed that most of mutations developed by Omicron variants occurred in the vaccine target gene (S gene).