Online Software Research Articles

Applying Evidence Synthesis for Constructing Directed Acyclic Graphs to Identify Causal Pathways Affecting U.S. Early-Stage Non-Small Cell Lung Cancer Treatment Receipt and Overall Survival

Background/Objectives: Directed acyclic graphs (DAGs) inform the epidemiologic statistical modeling confounders to determine close to true causal relationships in a study context. They inform the inclusion of the predictive model variables that affect the causal relationship. Non-small cell lung cancer (NSCLC) is frequently diagnosed, aggressive, and the second leading cause of cancer deaths in the United States. Determining factors affecting both the guideline-concordant treatment receipt and survival outcomes for early-stage lung cancer will help inform future statistical models aiming to achieve a close to true causal relationship. Methods: Peer-reviewed original research published during 2002–2023 was identified through PubMed, Embase, Web of Sciences, Clinical trials registry, and the gray literature. DAGitty version 3.1, an online software program, developed implied DAGs and integrated DAG graphics. The evidence synthesis for constructing directed acyclic graphs (ESC-DAGs) protocol was utilized to guide DAG development. The conceptual models utilized were Andersen and Aday for factors affecting treatment receipt and Shi and Steven for survival outcome factors. Results: A total of 36 studies were included in the DAG synthesis out of 9421 retrieved across databases. Eight studies served in the synthesis of treatment receipt DAG, while 28 studies were used for the survival outcomes DAG. There were 10 causal paths and 13 covariates for treatment receipt and 2 causal pathways and 32 covariates for survival outcomes. Conclusions: There are very few studies reporting on factors affecting early-stage NSCLC guideline-concordant care receipt compared to factors affecting its survival outcomes in the past two decades of original research. Future investigations can utilize data extracted in the current study to develop a meta-analysis informing effect size.

Schinus terebinthifolia Raddi—Untargeted Metabolomics Approach to Investigate the Chemical Variation in Volatile and Non-Volatile Compounds

Context: Schinus terebinthifolia Raddi is used in Brazilian folk medicine due to the wound healing and antiseptic properties of its bark, and its fruit are used as a condiment. However, the aerial parts of this plant have been studied and present some bioactive compounds as well. Objectives: The aim of this study was to investigate the variation in volatile and non-volatile composition of S. terebinthifolia leaves using untargeted metabolomics. Material and Methods: The leaves of four trees were collected over one year; ethanolic extracts were analyzed by UHPLC-MS and fresh leaves were analyzed by GC-MS using HS-SPME. The data were processed using online software. Results: The results suggest seasonality interfered little with the chemical composition of leaves. On the other hand, the sex of the plant clearly determined the chemical composition of both volatile and non-volatile compounds. Discussion and conclusions: Chemical variability between plants with male and female flowers is fundamental information for the standardized use of its leaves. Compounds with important biological activities were putatively identified, confirming the potential use of S. terebinthifolia leaves as a source of bioactive compounds, reducing waste and increasing economic gains for local farmers throughout the year.

Definition and understanding of “efficiency” in healthcare provision research: a scoping review

BackgroundWith rising healthcare costs over the last decades, the concept of efficiency has gained popularity in healthcare provision research. As efficiency can be understood and measured in many different ways, it is often unclear what is meant by “efficient health systems” or “efficient healthcare providers”.ObjectivesThis study aims to analyze and categorize the different definitions and understandings of “efficiency” used in healthcare provision research over time.MethodsWe searched five databases (Medline, Embase, CINAHL, Business Source Premier, and EconLit) to conduct a scoping review. Sources were screened independently by two researchers, using the online software Rayyan. Results are reported using PRISMA-ScR.ResultsOf 1,441 individual sources identified, 389 were included in the review. Most papers (77.3%) using the term “efficiency” do not include explicit definitions or explanations of their understanding of it. Almost all papers (99.0%) are interested in productive efficiency (vs. allocative efficiency) and more specifically technical efficiency, therefore comparing the number of inputs used and outputs produced. While many papers (70.4%) include some elements of quality of care or health outcomes in their discussion, few (30.3%) include aspects of quality in their measurement of efficiency. Over the last decades, Data Envelopment Analysis has become the main method to measure efficiency. We propose a broad categorization of efficiency definitions that could be used by researchers to improve the comprehensibility and comparability of their research. Key features are the general type of efficiency, inclusion of quality or outcome information, and inclusion of cost information.DiscussionTo allow for better comparability and comprehensibility, researchers in healthcare provision should state explicitly which type of efficiency they are studying. To do this, we propose to use combinations of the terms productive efficiency, allocative efficiency, quality-inclusive efficiency, and cost efficiency.

Diversity and availability of edible caterpillar host plants in the Luki biosphere reserve landscape in the Democratic Republic of the Congo

Edible caterpillars are an important food and economic resource for rural African people. However, they are subject to a number of threats; in particular, their host plants are threatened. The Luki Biosphere Reserve landscape is a region of the Democratic Republic of Congo where the practice of eating caterpillars is a recent phenomenon; however, rural communities have reported their scarcity. This study assessed the diversity and availability of host plants of the edible caterpillars in the Luki Biosphere Reserve (LBR) landscape. Botanical inventories were conducted in eleven ha plots of each of the following habitats: forest, savannah under protection, fallow, and inhabited areas, covering an area of 44 ha. The coverage-based rarefaction and extrapolation method and the iNEXT online software were used to calculate the true diversity of edible caterpillar host plants. The diameter structure of the edible caterpillar host plant species was assessed by counting the number of individuals in each diameter class. The results revealed that in the Luki Biosphere Reserve landscape, edible caterpillars rely on 15 main plant host species (Spondias mombin L., Petersianthus macrocarpus (P.Beauv.) Liben, Croton sylvaticus Hochst. ex Krauss, Hymenocardia acida Tul., Lannea welwitschii (Hiern) Engl., Macaranga spinosa Müll.Arg., Celtis mildbraedii Engl., Coelocaryon botryoïdes Vermoesen, Albizia gummifera (J.F.Gmel.) C. A. Sm, Bridelia atroviridis Müll.Arg, Ficus mucuso Welw. ex Ficalho, Funtumia elastica (P.Preuss) Stapf, Lannea welwitschii (Hiern) Engl., Milicia excelsa (Welw.) C.C. Berg., and Terminalia superba Engl. & Diels). The habitats exhibited low species diversity of the edible caterpillar host plants. Moreover, several of these species are becoming scarce or are locally threatened with extinction. The trend in the diametric structure is similar to species evolving in a disturbed environment.The results of this study suggest potential habitat instability linked to human activities that could lead to biodiversity loss and, thus, a decline in edible caterpillars in the LBR landscape. A better understanding of the unfavourable conditions that influence the nutritional support for the edible caterpillars would help promote appropriate strategies that can be applied in local development plans for community lands at a landscape scale.

Structural, optical, and shielding investigation of PVA/Te composite for technological applications

Using the casting process, polymeric films made of polyvinyl alcohol (PVA) including varying percentages of Te were created to form PVA/Te composite at doping concentrations of Te (0, 4.76, 13.04, 20 wt %), which denoted as PT1, PT2, PT3 and PT4 respectively. XRD results show semicrystalline nature in PT1 and PT2 however with further increasing of Te contents, a nano-crystallite Te appeared in PT3 and PT4. The absorption spectrum confirms that PT3 film is a good option to be used in UV-shielding. PT4 film shows an abrupt rise in absorption coefficient at 0.5 eV, 1.5 eV and UV regions, hence this qualifies this sample for various optical applications. The optical energy gap of the films varies between 4.94 eV and 3.32 eV for the indirect transitions and between 5.3 eV and 4.5 eV for the direct transitions, the PT4 film has the lowest values of both direct and indirect energy gaps. Several methods were used to measure the average refractive index nav value. Furthermore, the nonlinear refractive index (n2) was estimated. PT4 possesses the highest value of both nav and n2. Furthermore, the radiation shielding coefficients have been estimated according to the Phy-X/PSD online software. The sample with the highest Te concentration, PT4, has the best radiation shielding between the films under investigation. The investigated polymer with high Te weight percentage is an optical system that can be used for solar cells, optoelectronics, electronics, nonlinear optics, optical filters and for radiation shielding.

Traditional African Vegetables Knowledge Translation: A Scoping Review

Traditional African vegetables (TAVs) are an important component of an ecologically sustainable approach to addressing food and nutrition security in Africa. This review aims to identify the scope of the knowledge translation literature that exists across multiple aspects of the TAV value chain and to identify gaps in knowledge translation research. A scoping review following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses extension for Scoping Reviews (PRISMA-ScR) was conducted. The Population, Concept, and Context (PCC) framework was used to guide the development of inclusion and exclusion criteria for this review. The Web of Science, Scopus, Science Direct, and ABI/Inform databases were searched to identify the relevant studies which were then screened using the Covidence 2024 online software to select studies and extract information for analysis and reporting. A total of 182 studies/articles were selected and examined. The most significant knowledge documented about TAVs pertains to their vast genetic diversity contributing to their rich nutritional and medicinal properties, their ability to withstand harsh environmental conditions such as drought, pests, and diseases, as well as the effects of various post-handling techniques on the nutrient content of TAVs, with the production phase of the TAV value chain being the most studied. This review found that, although a breadth of knowledge about TAVs has been generated, there is still little documentation about transferring and utilizing this knowledge across the TAV value chain. This review identified that more research is needed to document the strategies and practices for the transfer and utilization of knowledge to ensure that it is utilized to enhance nutritional outcomes across Africa.

Cloning, bioinformatics analysis and expression of the cysteine dioxygenase type 1 (CDO1) gene in domestic yak.

The CDO1 gene is an important gene in the taurine synthesis pathway and has been observed to have high expression in ovaries of female mammals. This study aims to explore the conservation of CDO1 gene in domestic yaks, as well as to examine the fundamental characteristics of CDO1 gene and its expression in female yaks. Ovarian samples were collected from yaks in the follicular phase, luteal phase and gestation period in this experiment, and their total RNA and protein were extracted. Then Polymerase Chain Reaction (PCR) and bioinformatics online software were used to clone and analyze the CDO1 gene. The relative expression of CDO1 in yak ovaries was detected by Quantitative Real-time PCR (RT-qPCR) and Western blotting. The distribution and localization of CDO1 protein in ovary were detected by immunohistochemistry. We have successfully cloned the coding region of CDO1 gene in yak. The results showed that the CDS region of CDO1 gene was 603 bp, encoding 200 amino acids, and was a relatively stable hydrophilic protein. CDO1 is relatively conservative in species evolution. The protein encoded by CDO1 gene does not have a signaling peptide or a transmembrane structure. It is a protein that is not involved in transmembrane transport and is mainly located in the cytoplasm. The secondary structure of the protein is dominated by the random coil. CDO1 is estimated to interact with 10 proteins. The results of RT-qPCR and Western blotting showed that the CDO1 gene exhibited the highest expression in the ovary during the luteal phase and the lowest expression in the ovary during the follicular phase (P < 0.01). The results of immunohistochemistry showed that CDO1 was mainly expressed in granular cells, theca cells and lutein cells of ovarian tissue. These results suggest that the CDO1 gene has undergone minimal evolutionary changes during the course of animal evolution. The results provide a reference for further investigation of the function of CDO1 gene in reproduction and production in yaks.

Game at School? Italian Teachers' Perceptions of the Introduction of Games in the Classroom

The growing awareness that games can be a very valuable training support, both as a resource to engage and motivate and to promote acquisition of disciplinary knowledge and skills, has not been accompanied by an effective diffusion of games in Italian schools. From primary school to university, an ambivalent behaviour is manifested: a widespread appreciation of games as a learning environment is contrasted with a limited application, often reduced to the use of games or online software of a behavioural matrix. An analysis of research on the use and diffusion of games in Italian schools and universities highlights the lack of recent studies on the basic didactic-pedagogical knowledge, level of acceptance and confidence of teachers regarding the introduction of games in the classroom. The goal of this contribution is to provide an updated understanding of Italian teachers' competencies related to the formative use of games. To this aim, we developed a survey adapting to the Italian context one of the most established competence frameworks for game-based learning (GBL): the Technological Pedagogical Content Knowledge-Games (TPACK-G), a variant of TPACK specifically modified for the analysis of games. This new tool extends to non-digital games and integrates the sections on aspects related to game-based instructional design, game scenarios, and the role of the teacher in the instructional activity. This research will not only provide an updated look at how the prevalence of play in the classroom is changing, beyond simple manifestations of interest and trends, but also reveal how the approach to games is changing in the design of educational activities and what is the degree of awareness of the game pedagogical-educational skills necessary for the introduction of games in education. This, in turn, is instrumental for the development of new and more focused teacher training programs to promote the use of games in classrooms.

Bioinformatics analysis of the antigenic epitopes of L7/L12 protein in the B- and T-cells active against Brucella melitensis

Abstract The objective is to analyse the physicochemical properties, spatial structure and protein–protein interactions (PPIs) of L7/L12 protein using bioinformatics methods and predict their B- and T-cell epitopes to lay a theoretical foundation for developing a novel multiepitope vaccine (MEV). The National Center for Biotechnology Information (NCBI) database was searched for the amino acid sequences of L7/L12 from Brucella melitensis. In addition, the online softwares, ProtParam and ProtScale, were used to predict the physicochemical properties: NetPhos3.1 and CD-search to predict the phosphorylation sites and conserved domains; SOMPA and SWISS-MODEL to predict the secondary and tertiary structures; the STRING database to analyse the PPIs; and the IEDB, ABCpred, SVMTrip and SYFPEITHI databases to predict the B- and T-cell epitopes. L7/L12 was docked to Toll-like receptor 4 (TLR4), B-cell receptor (BCR), Major histocompatibility complex I-T cell receptor (MHC I-TCR) and MHC II-TCR complexes, respectively, and the binding ability of L7/L12 to the targeted receptors was tested. L7/L12, consisting of 124 amino acids, was determined to be a stable, intracellular, hydrophilic protein containing 6 phosphorylation sites and ribosomal protein-related conserved domains. α-helices accounted for 70.16 %, β-turns for 2.42 %, extended strands for 8.87 % and irregular coils for 18.55 % of the secondary structure. The PPIs indicated that L7/L12 was involved in the constitution of ribosomes and regulating the accuracy of the translation process. Three B-cells, two cytotoxic T lymphocytes and three helper T lymphocyte epitopes were finally screened by comparing multiple databases. L7/L12 binds to TLR4, BCR, MHC I-TCR and MHC II-TCR complexes and forms stable hydrogen bonds, respectively. L7/L12, which governs the translation curate of proteins, possesses several potentially advantageous epitopes, laying a theoretical foundation for designing MEVs.

Rehabilitation effects of acupuncture on the diaphragmatic dysfunction in respiratory insufficiency: A systematic review and meta-analysis

IntroductionMechanical ventilation after respiratory insufficiency can induce diaphragm dysfunction through various hypothesized mechanisms. In this study, we evaluated the rehabilitative effect of acupuncture on diaphragm function in patients with respiratory insufficiency using meta-analysis and summarised the rules of acupoints through association rules analysis. MethodsArticles (published from January 2000 to February 2024) were retrieved from the following databases: PubMed, Cochrane Library, Embase, Web of Science, CNKI, VIP, SinoMed, and Wanfang. Two researchers conducted literature selection, data extraction, and statistical analysis independently. The risk of bias was assessed utilizing the Physical Therapy Evidence Database (PEDro) scale. The meta-analysis was performed with RevMan 5.4 software, and the quality of each outcome evidence was assessed via the online software GRADEpro GDT. The regularity of acupoint selection was summarized using association rules analysis. This study is registered on PROSPERO, number CRD42024526705. ResultsEleven articles were eventually included, all of which were of low to moderate quality. Results of the meta-analysis showed a significant increase in diaphragmatic thickening fraction (MD 3.40 [1.52, 5.27]) and diaphragmatic excursion (MD 0.95 [0.58, 1.31]) in patients with respiratory insufficiency after acupuncture treatment. Also, OI (MD 28.52 [15.93, 41.11]) and PaO2 (MD 7.18 [2.22, 12.13]) were significantly elevated and PaCO2 (MD −6.94 [-12.30, −1.59]) was decreased. Mechanical ventilation time (MD-1.86 [-2.28, −1.45]) was also significantly improved. The overall quality of the outcome evidence is deemed moderate. Association rules analysis showed that ST36, RN4, RN6, and others are core acupoints for the treatment of diaphragmatic dysfunction in patients with respiratory insufficiency by acupuncture. ConclusionAcupuncture shows potential in the rehabilitation of patients with respiratory insufficiency and may serve as a complementary and alternative therapy for related conditions. We suggest the use of ST36 as a core acupoint, in combination with other acupoints. Due to the potential publication bias and high heterogeneity of the current data, further high-quality RCTs are needed to confirm these findings.

The impact of site-specific DNA methylation in KCNJ11 promoter on type 2 diabetes

AimsThis study explores the correlation between site-specific methylation levels of the KCNJ11 promoter and type 2 diabetes mellitus (T2DM), analyzing potential molecular mechanisms. MethodsThirty patients newly diagnosed with T2DM and 30 healthy controls were selected to determine the CpG methylation levels in the promoter region of the KCNJ11 gene using the bisulfite assay. The online software JASPAR was used to predict transcription factors binding to differentially methylated sites. Key transcription factors were further validated through quantitative PCR (q-PCR) and chromatin immunoprecipitation followed by PCR (ChIP-PCR). ResultsMethylation at multiple CpG sites within the KCNJ11 gene promoter was generally reduced in newly diagnosed T2DM patients compared with healthy individuals. The methylation status of CpG-471, a site crucial for the binding of the transcription factor TCF12, emerged as potentially influential in T2DM pathogenesis. This reduction in methylation at CpG-471 may enhance TCF12 binding, thereby altering KCNJ11 expression. ConclusionHypomethylation of specific CpG sites in the promoter region of the KCNJ11 gene in patients with incipient T2DM potentially contributes to the disease's pathogenesis. This hypomethylation may influence TCF12 binding, with potential regulatory effects on KCNJ11 expression and pancreatic beta-cell function, though further studies are needed to confirm the exact mechanisms involved.

Perspectives of physicians and doulas on shared decision-making and decision counseling in the treatment of pregnant women with opioid use disorders

IntroductionResearch about the application of shared decision-making (SDM) in the context of Medication Assisted Treatment (MAT) for pregnant women with opioid use disorder (OUD) is limited. The objectives of our study were to 1) examine facilitators of and barriers to SDM for the initiation of MAT in clinical practice and 2) evaluate the receptivity of clinicians and doulas involved in the care of women with OUD to the use of an online software application to facilitate SDM about MAT. MethodsThis qualitative study utilized semi-structured interviews with consenting physicians and doulas who provided care for pregnant women with OUD between November 2021 and May 2022. Participants were asked about factors influencing SDM in practice. In addition, the study asked participants about the feasibility of using the Jefferson Decision Counseling Guide© (JDCG) to educate pregnant women with OUD as to the benefits and risks of undergoing MAT versus no treatment and to help patients clarify their treatment preference. The study recorded the interview and transcribed it verbatim using Rev. transcription services. The study used thematic analyses to code the data and identify key barriers and facilitators of SDM and perceptions of the SDM tool. ResultsNineteen participants completed interviews. The study identified several barriers to SDM including time constraints, lack of decision counseling tools at points of care, and patients presenting in an actively high state or withdrawing. Peer workers or other trained personnel, giving patients more time, and comfort in decision counseling are examples of facilitators identified by the participants of the study. Participants believed that the counseling tool could facilitate conversations with patients and should be integrated into the workflow. ConclusionIn this qualitative study, we identified several barriers and facilitators of SDM to initiate MAT for pregnant women with OUD. Our findings indicate that there are challenges and opportunities for healthcare systems to increase SDM in this marginalized patient population. Feedback from participants highlighted their receptivity to the use of SDM tools to facilitate meaningful conversations in various settings that can guide decision making about care.

H2S Donor SPRC Ameliorates Cardiac Aging by Suppression of JMJD3, a Histone Demethylase.

Aims: S-propargyl-cysteine (SPRC) is an endogenous hydrogen sulfide (H2S) donor obtained by modifying the structure of S-allyl cysteine in garlic. This study aims to investigate the effect of SPRC on mitigating cardiac aging and the involvement of jumonji domain-containing protein 3 (JMJD3), a histone demethylase, which represents the primary risk factor in major aging related diseases, in this process, elucidating the preliminary mechanism through which SPRC regulation of JMJD3 occurs. Results: In vitro, SPRC mitigated the elevated levels of reactive oxygen species, senescence-associated β-galactosidase, p53, and p21, reversing the decline in mitochondrial membrane potential, which represented a reduction in cellular senescence. In vivo, SPRC improved Dox-induced cardiac pathological structure and function. Overexpression of JMJD3 accelerated cardiomyocytes and cardiac senescence, whereas its knockdown in vitro reduced the senescence phenotype. The potential binding site of the upstream transcription factor of JMJD3, sheared X box binding protein 1 (XBP1s), was determined using online software. SPRC promoted the expression of cystathionine γ-lyase (CSE), which subsequently inhibited the IRE1α/XBP1s signaling pathway and decreased JMJD3 expression. Innovations: This study is the first to establish JMJD3 as a crucial regulator of cardiac aging. SPRC can alleviate cardiac aging by upregulating CSE and inhibiting endoplasmic reticulum stress pathways, which in turn suppress JMJD3 expression. Conclusions: JMJD3 plays an essential role in cardiac aging regulation, whereas SPRC can suppress the expression of JMJD3 by upregulating CSE, thus delaying cardiac aging, which suggests that SPRC may serve as an aging protective agent, and pharmacological targeting of JMJD3 may also be a promising therapeutic approach in age-related heart diseases.

Experimental and theoretical vibrational analysis, structural conformations, DFT estimations, antibacterial, antifungal, DPPH,H2O2, Nitric oxide scavenging activity drug, in silico molecular docking, and ADMET studies of N-(2-carboxylphenyl) phthalimide (CPPD)

The title compound N-(2-carboxylphenyl) phthalimide (CPPD)was purchased with a stated purity of 99 % from M/S. Sigma-Aldrich Co. and utilized as such with no additional purification,CPPD is a thalidomide based derivative, which have led to the uses of most important drugs from 1950 and their mechanisms of action is essential for a better understanding of molecular targets with broad spectrum of biological activity. The obtained FTIR spectral data of the compound were compared to harmonic vibrational frequencies calculated using the ab initio DFT (B3LYP) technique with 6–311++G (d,p)basis sets. Furthermore, 13C and 1H NMR, first-order hyperpolarizability (βo) associated parameters (π, αo)of the compound, theSubsequent to recording the molecule’sUV–Visible spectra, DFT was used to analyze its electronic characteristics, including its HOMO and LUMO energies, molecular electrostatic potential (MESP), and Mulliken population studies were using ab initio DFT6-311++G (d,p)basis sets. Pharmacological Screening investigation of the title molecule showed a strong broad-spectrum of antifungal and antibacterial activity against various Gram (+) and Gram (−) bacteria using Ciprofloxacin as a positive control. The headline molecule is subjected toIn-silico molecular docking research with the purpose of improved recognize its biological activities, in addition with the minimal binding energy and hydrogen bond interaction that can view by Discovery Studio 4.0 visualizers. and drug likeness using Swiss ADME predictor (http://www.swissadme.ch/index.php) along with AdmetSAR-2.0 online software analysis tools features were investigated. The compound CPPD’s ability to degrade DPPH increased as a dose-dependent manner, with its maximal DPPH scavenging characteristic spanning from (18.2 ± 1.5 % to 73.2 ± 1.7 %) and maximum H2O2 scavenging trait ranging from (35.5 ± 5.3to 88.8 ± 3.1 %). The NO free radical scavenging property is linearly dependent on CPPD concentration. The interaction between the CPPD ligands and the 1HD2 protein is demonstrated by these data, as the protein displays a reduced binding energy value of −7.3 (Kcal/mol) and an inhibitory constant (ki) value of 4.39 μM. In swiss ADME prediction, CPPD is an evident from the physicochemical data that has an efficient receptor site binding mechanism. The lipophilicity of a drug is determined by its partition coefficient (Log P=log Po/w) between water and N-(2-carboxylphenyl) phthalimide. The paper further explains that the title compound can act as promising antibacterial and antioxidant agent throughin-vitro and molecular docking studies.

Virtual screening study for biological activity assessment and metabolism pathway of a fuel dye in airborne exposure scenario.

The utilization of synthetic dyes increases the risk to human health. Despite the progress of information on azo dyes, very little attention has been reported on toxicity assessment of anthraquinone dyes. Solvent Blue 35 (SB35) is one of the anthraquinone dyes likely to be encountered because of its increasing use in various industries. Whereas the design of laboratory tests is very expensive, in silico screening was used to predict the metabolic profile and toxicity effect of SB35. MetaTox software was used to predict the metabolites of phase I and II in two layers. Since airborne exposure has been considered, the pathways of inhalation and dermal absorption of SB35 were investigated through the SwissADME model based on the modified Lipinski's rule of five. To predict the biological effect and toxicity of SB35 and each of the metabolites, PASS online software was used. Chemical activity was considered according to the probability of activation values (Pa) higher than the probability of inactivation values (Pi). N- dealkylation of SB35 was predicted in the first layer, while seven active compounds were obtained in the second layer from phases I and II reactions. Investigating the physicochemical properties of SB35 confirmed inhalation absorption for occupational exposure scenarios. All metabolites are absorbed from intestinal routes based on the RO5 rules. SB35 and their metabolites have an effective substrate role for the sub-type of CYP 450 enzymes. The toxicity effect of carcinogenicity for SB35 and mutagenicity for metabolites are predicted while confirmed with some biological effects. However, reproductive disorders are pointed with SB35 by probability higher than 70%. Virtual screening methods are efficient tools for creating cost-effective predictions in the hazard's evaluation of SB35. However, a perspective view is suggested before decision-making for laboratory designing tests.

Online Voting System

With rapid growth in technologies the old voting methods can change to advanced voting methods. Online voting software is a modern solution that can efficiently and securely facilitate the voting process for various groups and organizations. The use of such software eliminates the need for physical polling stations, as voters can cast their ballots from anywhere with an internet connection

Analysis of codon usage patterns in complete plastomes of four medicinal Polygonatum species (Asparagaceae).

Polygonati Rhizoma and Polygonati odorati Rhizoma, known as "Huangjing" and "Yuzhu" in China, are medicinal Polygonatum species resources with top-grade medical and edible properties. The chloroplast (cp) genome has been used to study species diversity, evolution, and breeding of species for applications in genetic engineering. Codon usage bias (CUB), a common and complex natural phenomenon, is essential for studies of codon optimization of exogenous genes, genetic engineering, and molecular evolution. However, the CUB of medicinal Polygonatum species chloroplast genomes has not been systematically studied. In our study, a detailed analysis of CUB was performed in the medicinal Polygonatum species chloroplast genomes. We investigated the codon bias of 204 plastid protein-coding genes (PCGs) in 4 medicinal Polygonatum species using CodonW and CUSP online software. Through the analysis of the codon bias index, we found that the medicinal Polygonatum species chloroplast genomes had weak codon usage bias. In addition, our results also showed a high preference for AT bases in medicinal Polygonatum species chloroplast genomes, and the preference to use AT-ending codons was observed in these species chloroplast genomes. The neutrality plot, ENC plot, PR2-Bias plot, and correspondence analysis showed that compared with mutation pressure, natural selection was the most important factor of CUB. Based on the comparative analysis of high-frequency codons and high expression codons, we also determined the 10-11 optimal codons of investigative medicinal Polygonatum species. Furthermore, the result of RSCU-based cluster analysis showed that the genetic relationship between different medicinal Polygonatum species could be well reflected. This study provided an essential understanding of CUB and evolution in the medicinal Polygonatum species chloroplast genomes.

The presence of genes encoding carbapenem-hydrolyzing oxacillinase and lack of carbapenem resistance in non-baumannii Acinetobacter misidentified as Acinetobacter baumannii causing bloodstream infections in a tertiary hospital over a 3-year period

ObjectiveThis study aims to analyze the genomic and clinical characteristics of Non-baumannii Acinetobacter strains misidentified as A. baumannii, causing bloodstream infections (BSIs) in our hospital. Materials and methodsWhole genome sequencing was performed and average nucleotide identity (ANI) was analyzed. Susceptibility testing was conducted using micro-broth methods. The distribution of antimicrobial resistance genes (ARGs) and mobile genetic elements (MGEs) was examined using online software tools. The prevalence of virulence factors (VFs) was investigated through nucleotide coding sequence comparisons. Genetic structures of blaOXA genes were analyzed by Gcluster software. Clinical information was collected from electronic medical records for patient characterization. ResultsANI analysis identified five strains as Acinetobacter pittii, with the remaining four identified as A. geminorum, A. nosocomialis, A. soli and A. bereziniae. The GC content of all isolates was less than 38.9 % except for A. soli 16,294. All Non-baumannii Acinetobacter strains were relatively susceptible to antibiotics, except for one A. pittii isolate. Nine blaOXA variants were identified in seven isolates, with two isolates co-carrying 2 different types of blaOXA. Twenty-four insertion sequences (ISs) were identified, with ISAba and IS17 being the primary ISs. Five A. pittii isolates shared the same genetic structures around blaOXA. Genes related to adherence, immune modulation, and nutritional/metabolic factors were the most frequent. Few VFs were detected in A. soli 16,294 and A.bereziniae 14,325. ConclusionsThe presence of carbapenem hydrolyzing oxacillinase encoding genes did not confer carbapenem resistance, possibly due to the lack of ISs in the blaOXA flanking sequences. Different blaOXA variants within distinct strains shared the same genetic structures, suggesting potential for multidrug resistance development, which warrants our attention.

Synthesis, Computational Studies, and Biological Evaluation of Sulpha-methoxazole-Based Schiff Bases as Antimicrobial Agents

Background: Sulphamethoxazole-based Schiff-base compounds display poten-tial antibacterial and antifungal activity. Sulphamethoxazole is considered to be a versatile pharmacophore that can be utilized for designing and developing numerous bioactive lead compounds. In this work, some new sulphamethoxazole-based Schiff base compounds were synthesized, which are expected to possess antimicrobial activity, making them potentially useful for treating microbial infections. Objective: Concerning issues of drug resistance in presently available drugs, this study aimed to synthesize new sulphamethoxazole-based Schiff bases and evaluate their antimi-crobial activity. Methods: New sulphamethoxazole-based Schiff bases were synthesized by condensing sul-phamethoxazole with various acetophenones in methanol in the presence of glacial acetic acid. The synthesized compounds were characterized using various techniques, such as TLC, melting point, IR, NMR, and mass analysis. The computational properties of the com-pounds were also assessed using online software programs, and the similarity of the target compounds was also calculated as compared to sulphamethoxazole and clotrimazole. The antimicrobial activity of the target compounds was tested against Bacillus subtilis (Gram-positive), Escherichia coli (Gram-negative), and Candida albicans. Results: The target compounds (3a-f) were successfully synthesized and characterized by spectroscopic and analytical methods. The results of computational properties, similarity, and antimicrobial activity against B. subtilis, E. coli, and C. albicans of new sulphamethox-azole-based Schiff bases showed significant antimicrobial potential. result: The results of computational properties, similarity and antimicrobial activity against B. subtilis, E. coli and C. albicans of new sulphamethoxazole based Schiff bases showed significant antimicrobial potential. Conclusion: The synthesized new Schiff bases, particularly compound 3c, exhibited prom-ising antimicrobial activity and good physicochemical properties as compared to standard drugs, indicating their potential for further development as antimicrobial agents.

A genetic investigation in five Chinese families with keratoconus.

This study investigated the genetic characteristics of five Chinese families with keratoconus (KC). In the five families affected by KC, medical records, clinical observations, and blood samples were collected from all individuals. All KC family members (n = 20) underwent both whole exome sequencing of genomic DNA and Sanger sequencing to confirm the variants. Online software was utilized to analyze all variants, and the online server I-TASSER was employed for in silico predictions of the three-dimensional protein structures of the variants. The newly discovered variants and single nucleotide polymorphisms were further examined in 322 sporadic KC patients. The Pentacam tomographic composite index in those affected first-degree family members of the probands showed a pathological change. Five new variants were detected in the five probands and other affected members in their families: a heterozygous missense variant g.19043832C>T (p.Ser145Asn) in the homer scaffolding protein 3 (HOMER3) gene; a heterozygous missense variant g.99452113G>A (p.Gly483Arg) in the insulin-like growth factor 1 receptor (IGF1R) gene; a heterozygous missense variant g.55118280G>T (p.Trp843Leu) in the echinoderm microtubule-associated protein like 6 (EML6) gene; a heterozygous frameshift variant c. 1226_1227del (p.Gln410Glufs*17) in the DOP1 leucine zipper-like protein B (DOP1B) gene; and a heterozygous splice-site variant c.7776+2T>A in the neurobeachin-like protein 2 (NBEAL2) gene. These variations were predicted to be potentially pathogenic and associated with KC. Five novel variants in HOMER3, IGF1R, EML6, DOP1B, and NBEAL2 genes were identified in this study and may be associated with the pathogenesis of KC. This study provides new information about the gene variants and their protein changes in KC patients. The findings should be explored further and could potentially be applied to the early diagnosis of KC before clinical onset.