Database Of Software Research Articles

Influence of Software Settings on the Identification Rate, Quantification Results, and Reproducibility in Profiling Post-Translational Modifications by Microflow Liquid Chromatography-Ion Mobility-Quadrupole Time-Of-Flight Analysis Using PEAKS Software.

The influence of data evaluation parameters on qualitative and quantitative results of untargeted shotgun profiling of enzymatic and nonenzymatic post-translational modifications (PTMs) was investigated in a model of bovine whey protein α-lactalbumin heated with lactose. Based on the same raw data, individual adjustments to the protein database and enzyme settings of PEAKS studio software increased the identification rate from 27 unmodified peptides to 48 and from 322 peptides in total to 535. The qualitative and quantitative reproducibility was also assessed based on 18 measurements of one sample across three batches. A total of 570 peptides were detected. While 89 peptides were identified in all measurements, the majority of peptides (161) were detected only once and mostly based on nonindicative spectra. The reproducibility of label-free quantification (LFQ) in six measurements of the same sample was similar after processing the data by either the PTM algorithm or the LFQ algorithm. In both cases, about one-third of the peptides showed a coefficient of variation of above 20%. However, the LFQ algorithm increased the number of quantified peptides from 75 to 179. Data are available at the PRIDE Archive with the data set identifier PXD050363.

Pungency related gene network in Allium sativum L., response to sulfur treatments

Pungency of garlic (Allium sativum L.) is generated from breakdown of the alk(en)yl cysteine sulphoxide (CSO), alliin and its subsequent breakdown to allicin under the activity of alliinase (All). Based on recent evidence, two other important genes including Sulfite reductase (SiR) and Superoxide dismutase (SOD) are thought to be related to sulfur metabolism. These three gene functions are in sulfate assimilation pathway. However, whether it is involved in stress response in crops is largely unknown. In this research, the order and priority of simultaneous expression of three genes including All, SiR and SOD were measured on some garlic ecotypes of Iran, collected from Zanjan, Hamedan and Gilan, provinces under sulfur concentrations (0, 6, 12, 24 and 60 g/ per experimental unit: pot) using real-time quantitative PCR (RT-qPCR) analysis. For understanding the network interactions between studied genes and other related genes, in silico gene network analysis was constructed to investigate various mechanisms underlying stimulation of A. sativum L. to cope with imposed sulfur. Complicated network including TF-TF, miRNA-TF, and miRNA-TF-gene, was split into sub-networks to have a deeper insight. Analysis of q-RT-PCR data revealed the highest expression in All and SiR genes respectively. To distinguish and select significant pathways in sulfur metabolism, RESNET Plant database of Pathway Studio software v.10 (Elsevier), and other relative data such as chemical reactions, TFs, miRNAs, enzymes, and small molecules were extracted. Complex sub-network exhibited plenty of routes between stress response and sulfate assimilation pathway. Even though Alliinase did not display any connectivity with other stress response genes, it showed binding relation with lectin functional class, as a result of which connected to leucine zipper, exocellulase, peroxidase and ARF functional class indirectly. Integration network of these genes revealed their involvement in various biological processes such as, RNA splicing, stress response, gene silencing by miRNAs, and epigenetic. The findings of this research can be used to extend further research on the garlic metabolic engineering, garlic stress related genes, and also reducing or enhancing the activity of the responsible genes for garlic pungency for health benefits and industry demands.

ShaFA, a New Microsoft Windows-Based Software for Food Intake Analysis

In food intake studies, converting eaten foods into calories and nutrients and other food components using books and tables of food ingredients is a very time-consuming and error-prone task. ShaFA is new Microsoft Windows-based software for food component derivation of individual and group food intake data. This software is developed using C sharp programming language. Microsoft Access has been used to put the information of 8790 food types and their 85 food components based on the USDA-SR28 in the database of software. The user is capable to search in the database for desired food by the name or special code of the food and select them for each person. Each person’s food intake data can be stored via allocating an exclusive ID. Finally, the user can get a report of the imported data in a new window, and also can get a Microsoft Excel export which can be imported into statistical software such as SPSS and STATA. Each research project data can be stored in a file with the unique extension (ShaFA) which can be opened and edited in any system that its operating system is Microsoft Windows, and has ShaFA software installed on it. This software can provide researchers with valuable information in a short time, especially nutritional epidemiology studies. It can also be used in food industry to extract the information needed to label and complete food information table for a variety of food industry products.

Employment the database of software (Microsoft Access) in implementing and printing official documents

As a result of higher development in the world in all its fields, the circle of requirements of that development has increased in general and in administrative work specially expanded in terms of the introduction of new administrative systems and generated a routine movement that disrupts the flow of transactions in all government institutions, this has a negative impact on the speed of completing transactions and the exertion of great effort. By employees in exchange for a small number of completed transactions compared to the large numbers of uncompleted transactions. The need for technological intervention in this field has necessitated the solution of this problem, through the use of the technological capabilities available in those institutions, which are within the reach of the institution’s employees and which do not cost anything. Financial sums, as it meets the actual need to complete administrative work in a complete and simplified manner in a very short time, and there is no need to contract with software companies that work to design a special program for the organization for very exorbitant amounts, in addition to the complexity of the programs, which requires enrolling employees in training courses on how to use it, in addition to an inventory. Update to the program by the company that designed it.

In silico analysis to identify novel ceRNA regulatory axes associated with gallbladder cancer.

Competitive endogenous RNA (ceRNA) networks are reported to play a crucial role in regulating cancer-associated genes. Identification of novel ceRNA networks in gallbladder cancer (GBC) may improve the understanding of its pathogenesis and might yield useful leads on potential therapeutic targets for GBC. For this, a literature survey was done to identify differentially expressed lncRNAs (DELs), miRNAs (DEMs), mRNAs (DEGs) and proteins (DEPs) in GBC. Ingenuity pathway analysis (IPA) using DEMs, DEGs and DEPs in GBC identified 242 experimentally observed miRNA-mRNA interactions with 183 miRNA targets, of these 9 (CDX2, MTDH, TAGLN, TOP2A, TSPAN8, EZH2, TAGLN2, LMNB1, and PTMA) were reported at both mRNA and protein levels. Pathway analysis of 183 targets revealed p53 signaling among the top pathway. Protein-protein interaction (PPI) analysis of 183 targets using the STRING database and cytoHubba plug-in of Cytoscape software revealed 5 hub molecules, of which 3 of them (TP53, CCND1 and CTNNB1) were associated with the p53 signaling pathway. Further, using Diana tools and Cytoscape software, novel lncRNA-miRNA-mRNA networks regulating the expression of TP53, CCND1, CTNNB1, CDX2, MTDH, TOP2A, TSPAN8, EZH2, TAGLN2, LMNB1, and PTMA were constructed. These regulatory networks may be experimentally validated in GBC and explored for therapeutic applications.

Prevalence of Syphilis Infections Among Volunteer Blood Donors in Jinan Blood Center, China: A 15-Year Retrospective Study.

Syphilis infections among volunteer blood donors increased rapidly in recent years. It is important to analyze the demographics of seropositive donor groups and help to recruit donors from low-risk population. The aim of this study was to analyze the syphilis prevalence among volunteer blood donors in Jinan Blood Center and give direction to blood recruitment. A cross-sectional study was conducted among blood donors in Jinan, China. Socio-demographic data and blood donation testing data from January 2007 to December 2021 were extracted from the database of blood management software of Jinan Blood Center for analysis. All blood samples were screened by ELISA, and those anti-TP-positive samples were counted and analyzed by sex, age, educational background, occupation and blood donation times. Logistic regression was used to explore risk factors associated with syphilis infection. Totally 700,757 blood samples were collected in the study during 2007 to 2021, 2290 cases were detected anti-TP positive with a positive rate of 0.33%. Female, 35-44 years old, with a lower education degree, farmers and first-time donors were the high-risk subgroups. Consultation and identification of high-risk population groups should be improved. Measures should be taken to make the donor recruitment more professional and detailed.

The Research Software Encyclopedia: A Community Framework to Define Research Software

The Research Software Encyclopedia is a community driven, open source strategy to define the term “research software” in different contexts. It consists of several elements: a base library to manage a database of software, criteria and taxonomy items that can be used to answer questions about the software in the database, and several ways for an interested party to interact. A community database is stored in version control (GitHub), and by way of providing and updating this database, the Research Software Encyclopedia takes a strategy of small contributions over time to grow a valuable resource. Using a community-driven open source approach offers a number of advantages over attempting to derive a single, holistic definition for research software. First, it takes into account the context under which the definition is considered. Second, community and scoped contributions to specific components of the task are easy. Third, it provides a resource that can be extended to other use cases. Finally, this initiative creates a solution that requires no grants or other funding to maintain, increasing its ability to grow, adapt, and evolve over time.

In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data.

In silico methods which can generate high-quality physiologically based pharmacokinetic (PBPK) models for arbitrary drug candidates are greatly needed to select developable drug candidates that escape drug attrition because of the poor pharmacokinetic profile. The purpose of this study is to develop a novel protocol to preliminarily predict the concentration profile of a target drug based on the PBPK model of a structurally similar template drug by combining two software platforms for PBPK modeling, the SimCYP simulator and ADMET Predictor. The method was evaluated by utilizing 13 drug pairs from 18 drugs in the built-in database of the SimCYP software. All drug pairs have Tanimoto scores (TS) no less than 0.5. As each drug in a drug pair can serve as both target and template, 26 sets were studied in this work. Three versions (V1, V2 and V3) of models for the target drug were constructed by replacing the corresponding parameters of the template drug step by step with those predicted by ADMET Predictor for the target drug. V1 represents the replacement of molecular weight (MW), V2 includes the replacement of parameter MW, fraction unbound in plasma (fu), blood-to-plasma partition ratio (B/P), logarithm of the octanol-buffer partition coefficient (log Po:w) and acid dissociation constant (pKa). In V3, all above-mentioned parameters as well as human jejunum effective permeability (Peff), Vd and cytochrome P450 (CYP) metabolism parameters (Km, Vmax or CLint) are modified. Normalized root mean square error (NRMSE) was used for the evaluation of the model performance. We found that the performance of the three versions of the models depends on structural similarity of the drug pairs. For Group I drug pairs (TS ≤ 0.7), V2 and V3 performed better than V1 in terms of NRMSE; for Group II drug pairs (0.7 < TS ≤ 0.9), 8 out of 10 V3 models had NRMSE < 0.2, the cutoff we applied to judge whether the simulated concentration-time (C-T) curve was satisfactory or not. V3 outperformed the V1 and V2 versions. For the two drug pairs belonging to Group III (TS > 0.9), V2 outperformed V1 and V3, suggesting more unnecessary replacement can lower the performance of PBPK models. We also investigated how the prediction accuracy of ADMET Predictor as well as its collaboration with SimCYP influences the quality of PBPK models constructed using SimCYP. In conclusion, we generated practical guidance on applying two mainstream software packages, ADMET Predictor and SimCYP, to construct PBPK models for drugs or drug candidates that lack ADME parameters in model construction.

Design of the College Students’ Music Big Data Management System Based on Computer Assistance

With the rapid development of science and technology, the college music big data management system also needs a computer‐aided data model for optimization. In order to improve the efficiency of computer‐aided teaching of the music big data management system in colleges and universities, this paper analyzes and processes the music database of music software based on the computer‐aided Bayesian algorithm and establishes a Bayesian model. Firstly, this paper introduces the principle and function theorem of the Bayesian algorithm. The data is divided into original music and new music, and a college music data management system with search recommendations as the core is established. We iteratively calculate the optimal hidden semantic matrix and we finally select ReLU function as the activation function of this experiment. After the model of the music management system is established, it is applied to a university. The experimental results show that the experiment has reached the expected standard. When the hidden factor dimension is 11, the system model has the best representation of music features. Students’ use of the music search and the recommendation system has greatly improved their music literacy and music coverage.

Characterization of Second Primary Malignancies in Mucosa-Associated Lymphoid Tissue Lymphomas: A SEER Database Interrogation.

Introduction: Second primary malignancies (SPMs) are long-term complications in cancer survivors. Mucosa-associated lymphoid tissue (MALT) lymphomas are indolent extra-nodal marginal zone lymphomas, the majority of which typically have long-term survival. In this study, we investigated the incidence and pattern of SPMs in adult patients diagnosed with MALT lymphomas between January 2000 and December 2016. Methods: Using the SEER-18 database and multiple primary standardized incidence ratio (MP-SIR) session of SEER stat software for statistical analysis, we assessed SPMs in MALT lymphomas. Results: During this time, a total of 12,500 cases of MALT lymphomas were diagnosed, of which 1466 patients developed 1626 SPMs (O/E ratio: 1.48, 95% CI:1.41-1.55, P<.001). The median latency period for development of SPMs was 54 months (range 6-201 months). Secondary non-Hodgkin lymphomas, as defined by SEER as distinct from the primary lymphoma, was the most common SPM with 299 cases, followed by lung cancer (O/E ratio: 6.15, 95% CI:5.47-6.89, P<.0001). There were 898 SPMs that developed between 6- 59 months (O/E ratio: 1.47, 95% CI:1.37-1.57, P<.0001) and 728 after 60 months latency (O/E ratio: 1.5, 95% CI:1.39-1.61, P<.0001) after diagnosis of the primary MALT lymphomas. An increased incidence of both solid and hematologic cancers occurred in patients as early as 6 months after diagnosis of MALT lymphoma. Conclusion: These findings indicate that despite the indolent nature of most MALT lymphomas, there is an increased risk for SPMs warranting long-term follow up.

7E analysis of a conceptual utility-scale land-based solar photovoltaic power plant

Large scale solar PV systems have a high priority among clean energy initiatives across the world. A comprehensive and more realistic analysis of the solar PV power plant is not reported yet. This study performs the energy, exergy, economic, environmental, energoeconomic, exergoeconomic, and enviroeconomic (7E) analysis of conceptual 5 MW land-based solar photovoltaic power plant in five locations of Malaysia. Solar irradiation and climate data for each location are collected from the meteorological database of RETScreen software. The energy, economic, and environmental performance of the proposed solar PV system is predicted using RETScreen software. The exergy, energoeconomic, exergoeconomic, and enviroeconomic parameters are assessed using Microsoft excel based mathematical model. It is observed that the solar PV system proposed for all the selected locations will operate sufficiently well with a minimum 80% performance ratio (PR). The capacity utilization factor (CUF) varied between 17.04% (Site 2) and 14.25% (Site 4). The exergy efficiency varied between 11.35% (Site 2) and 12.65% (Site 4). The lowest value of the Payback period and LCOE is estimated to be 7.9 years and 0.102 respectively for the Site 2 solar PV system with consideration of GHG reduction revenue. The reduction in the GHG emissions is highest in Site 2, which is equivalent to 975.4 acres of forest and 1479.8 tonnes of waste recycled. Site 2 has the lowest exergoeconomic and energoeconomic parameters, as well as the highest enviroeconomic parameter. Hence, it is concluded that Site 2 has the best condition for implementation of solar PV system (80% PR, 17.04% CUF, 11.35% exergy efficiency, 7.9 years simple payback period, 17.10% internal rate of return, 0.102 USD LCOE, 4291 tCO2 avoided/annum, 0.0147 kWh/USD, 1.096 kW/USD, 42,916 USD) based on 7E analysis.

Bir Bor Sahasının Rezervinin Belirlenmesine Damar Yüzeylerinin Farklı Tekniklerle Modellenmesinin Etkisi

Madencilik faaliyetlerindeki öngörülebilirliğin artırılması amacıyla maden yataklarının rezervlerinin belirlenmesi ve uzun vadeli ocak planlamasında bilgisayarlı modelleme tekniği son yıllarda önemli bir yer edinmiştir. Bu çalışmada, Netcad NETPRO/Mine madencilik yazılımı ile bir bor sahasının katı modeli oluşturulmuş, katı model oluşturulmasında kullanılan “damar yüzeylerinden katı model oluşturulması” yönteminde; farklı kestirim teknikleri ile damar yüzeylerinin modellenmesinin rezerv hesabına etkisi araştırılmıştır. İlk olarak, topoğrafik ölçümlerle elde edilen sayısal verilerle sahanın topoğrafyası bilgisayar ortamında oluşturulmuştur. Daha sonra, sahada önceden yapılmış olan 71 adet sondaja ait veri ilgili yazılımın veri tabanına aktarılmıştır. Son olarak, sahanın rezervini hesaplamak için sondaj verileri kullanılarak sahanın 3 boyutlu katı modeli oluşturulmuştur. Katı modelleme esnasında farklı yöntemlerden saha için uygun görülen “damar yüzeylerinden katı model oluşturulması” yöntemi kullanılmıştır. Kullanılan yöntemde damar yüzeyleri farklı kestirim teknikleri ile modellenerek katı modeller oluşturulmuş ve bu katı modellerin hacmi kullanılarak her kestirim yöntemi için sahanının rezervi ayrı ayrı hesaplanmıştır. Yapılan hesaplamalarda rezerv miktarını en fazla hesaplayan kestirim yöntemi “Ters uzaklık” olup bunu “en yakın komşu”, “kriging” ve “üçgenleme” yöntemleri izlemiştir. Hesaplamalar sonucunda çıkan kestirim yöntemleri kıyaslanmış ve bor sahasının özelliklerine uygun kestirim yöntemi seçilmiştir.

Life cycle assessment of pharmaceuticals: the ciprofloxacin hydrochloride case

Despite the benefits in human health from pharmaceuticals, their production has simultaneously given rise to severe environmental pollution. Using ciprofloxacin hydrochloride production as an example, the objectives of this study were to determine the key materials and stages in the life cycle of pharmaceutical production and to develop methods to prevent high materials/energy consumption and pollution. The environmental impacts were evaluated by the Eco-indicator 99 (EI 99) method built into the Ecoinvent database of the Simapro software. The functional unit was set to the annual production of 280 million ciprofloxacin hydrochloridet tablets. The data in this study regarding the process parameters, raw materials energy consumption, and the emissions of pollutants were provided by a pharmaceutical enterprise located in the Zhejiang province, China. The complete production process was classified into three stages, active pharmaceutical ingredient (API) synthesis, galenic formulation, and packaging following the product category rules (PCR) for pharmaceuticals. API synthesis had the largest environmental contribution, followed by galenic formulation, and packaging, which accounted for 42.9%, 41.9%, and 15.2%, respectively. The most important influencing factors of the first two stages were polyols which represent solvents or reaction media used and electricity (coal-fired generation). The damage categories of both factors were ranked from high to low as follows: human health, resources, and ecosystems. The ecological index points of human health in the API synthesis decreased by 8 k point (kPt) after solvent replacement, by 4 kPt after coal-based electricity generation was replaced with natural gas, and by 12 kPt after simultaneous optimization. The proposed improvements for cleaner production all proved the feasibility of environmental sustainability in pharmaceutical production. Compared with energy optimization, the solvent replacement was a more effective and convenient method to reduce the environmental impact of ciprofloxacin hydrochloride production.

Observational study of drug-related problems and clinical pharmacists’ interventions in a French paediatric hospital

ObjectivesPaediatric inpatients are a high-risk population for drug-related problems, yet there is a lack of data concerning drug-related problems and pharmaceutical interventions in paediatric hospitals in France. The objective of...

A Smart Grid System for Reducing Energy Consumption and Energy Cost in Buildings in São Paulo, Brazil

The National Electric Energy Agency (ANEEL) of Brazil, in a bid to encourage energy-conscious energy consumption, has proposed a new sustainable energy tariff modality (the White Tariff) based on off-peak usage. This study aims to compare and contrast situations in which the White Tariff alone is used, and where it is combined with power generation from a generator set or a photovoltaic cell energy system to reduce energy costs. Furthermore, economic, environmental, and social advantages are outlined in the project summaries. Interviews and documentary analyses were conducted in a technology park that uses only the White Tariff and in condominiums that combine the White Tariff with a generator set or a photovoltaic cell system. The data generated was fed into the database of the Horosazonal software to obtain an overview of these companies. Results show that the company adopting the White Tariff alone achieved 19% and US$14,684 in annual savings. However, when the White Tariff is combined with a generator set, the smart grid project proved to be more efficient over time as it obtained an annual benefit of US$35,832 and 62.38% savings. In contrast, the smart grid project combining a photovoltaic cell energy system with the White Tariff achieved an annual benefit of US$52,712, with 68.31% savings and was 1.3 to 5.3 times more profitable than other projects, demonstrating that it was the best smart grip project studied. Furthermore, opting for the White Tariff produced advantages such as a reduction in energy consumption expenses, contributing to a reduction in power outages and blackouts, reduction in greenhouse gas emissions and boosting the company image within society. This study shows that energy-conscious consumption combined with the use of renewable energy sources is environmentally and economically advantageous and can provide future generations with a healthier environment in which people can make use of natural resources in a sustainable manner that is sustainable for planet earth.

Standardization Consensus of a Hospital Drug Database: An Efficient Tool.

Although the electronic prescribing software is the same for all hospitals of a regional health service, each has its own drug database, which it is responsible for maintaining. The aim of this study was to develop a consensus to standardize the hospital drug database of the electronic prescribing software, and to apply this tool to the electronic prescribing system of an oncology outpatient clinic of a Spanish tertiary-level hospital. Additionally, we sought to analyze the impact of the implemented actions on the health care services provided. This was a prospective study carried out over a period of 15 months by a group of pharmacists representing all Organizational Integrated Management Systems of a regional health service, and coordinated by the General Subdirectorate of Pharmaceuticals. A total of 500 drugs and 500 active pharmaceutical ingredients included in the hospital drug database were standardized to implement the electronic prescribing system in the oncology outpatient clinic. The implementation of such standardization process yielded a 70% decrease in medication errors. In the satisfaction survey concerning the usefulness of the tall-man letters implemented in the electronic prescribing system, the interviewed doctors reported the highest levels of satisfaction. The creation of consensus documents to standardize the hospital drug database served to unify the information available in the regional hospital pharmacy services of an autonomous community. In addition, the implementation of the electronic prescribing system in the oncology outpatient clinic of a tertiary-level hospital resulted in a decrease in the number of medication errors.

A multi-physics computational tool based on CFD and GEM chemical equilibrium solver for modeling coolant chemistry in nuclear reactors

The development of integrated numerical codes based on Computational Fluid Dynamics (CFD) and high-fidelity chemical reaction modules, offers the opportunity of an accurate simulation of turbulent reactive transport in nuclear reactors. This is invaluable in the optimization of coolant chemistry for the safe operation of nuclear reactors. The aim of this article is to develop a multi-physics simulation tool, where the chemical equilibrium solver and database of the commercial HSC-Chemistry software are integrated with the widely used CFD code ANSYS FLUENT.The assumption of local chemical equilibrium is used for a coupled simulation. The coupling procedure between codes is performed by a sequential operator-splitting approach. In this framework, the HSC equilibrium solver is called sequentially from each cell of the FLUENT computational domain whose composition has changed from equilibrium. Both iterative and non-iterative time marching algorithms are implemented and can be selected, depending on the problem under investigation. Communication between the codes is handled by a custom-designed object-oriented coupler class. A compiled-linked-in integration between FLUENT, the coupler class and HSC is designed, in order to minimize CPU time by exchanging data directly in the main memory.The coupled simulator is verified and preliminary validated with examples of chemical systems relevant for Gen. IV nuclear reactors cooled by lead-bismuth eutectic (LBE). The tool shows good performances in terms of numerical accuracy and computational speed. Its complete functionality is then illustrated with an application related to localized-corrosion modeling in flowing LBE. This application showed that the integrated code based on FLUENT and HSC is a promising tool for a wide range of applications involving reactive transport simulations.

Indicators Of Morbidity And Mortality From Diseases of the Digestive System in the Krasnodar Krai and the Quality of Medical Care for Gastroenterological Patients

Aim. To analyse the dynamics of morbidity and mortality from diseases of the digestive system, as well as the quality of medical care for gastroenterological patients in the Krasnodar Krai.Materials and methods. The analysis was carried out according to C 51 “Distribution of deaths by gender, age groups and causes of death” form of the Territorial Authority of the Federal State Statistics Service for the Krasnodar Krai for the period from 2006 to 2018, as well as on the basis of the “Demography” block database of the Parus software of the healthcare management system of the Krasnodar Krai for 6 months of 2019. 1341 medical records of patients receiving outpatient medical care and the medical records of people who had died from digestive diseases in 2017-2019 were reviewed.Results. Digestive diseases (DD) occupy the fourth place (7.1 %) in the structure of the general morbidity of the population in the Krasnodar Krai. Over the study period (13 years), the structure of mortality from DD has not changed significantly among the region’s population. About 70% of the causes of death from DD among people of working age account for liver diseases. The pathology of the pancreas takes the second place (13.5 %). The peptic ulcer of the stomach, duodenum and “other diseases of the digestive system” (8.8 % and 7.7 %, respectively) are represented in almost equal shares. In the etiological structure of liver cirrhosis, viral (39 %) and alcoholic (36 %) liver diseases are leading. The frequency of viral liver lesions tends to decrease, while the proportion of liver cirrhosis in the outcome of non-alcoholic fatty liver disease (NAFLD) progressively increase, having reached 7 % in 2017–2018. In the group of patients with inflammatory diseases of the pancreas, men prevail (66.9 %), often those abusing alcohol. The third leading cause of mortality from DD in the Krasnodar Territory is pathological conditions that occurred in the upper gastrointestinal tract (acute stomach ulcer, duodenal ulcer with bleeding, perforation) in older age groups taking antiplatelet agents and non-steroidal anti-inflammatory drugs (71.8 %). Conclusions. The main causes of death among the population of the Krasnodar Krai from diseases of the digestive system at a young age are alcohol consumption with unhealthy consequences. At the same time, people of older age groups die from a lack of prevention of ulceration and inadequate eradication of Helicobacter pylori in patients taking non-steroidal anti-inflammatory drugs and antiplatelet agents.

Open source software security vulnerability detection based on dynamic behavior features.

Open source software has been widely used in various industries due to its openness and flexibility, but it also brings potential security problems. Therefore, security analysis is required before using open source software. The current mainstream open source software vulnerability analysis technology is based on source code, and there are problems such as false positives, false negatives and restatements. In order to solve the problems, based on the further study of behavior feature extraction and vulnerability detection technology, a method of using dynamic behavior features to detect open source software vulnerabilities is proposed. Firstly, the relationship between open source software vulnerability and API call sequence is studied. Then, the behavioral risk vulnerability database of open source software is proposed as a support for vulnerability detection. In addition, the CNN-IndRNN classification model is constructed by improving the Independently Recurrent Neural Net-work (IndRNN) algorithm and applies to open source software security vulnerability detection. The experimental results verify the effectiveness of the proposed open source software security vulnerability detection method based on dynamic behavior features.

Fragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations.

In this work, the information contained in the contacts between fragments of small-molecule ligands and protein residues has been collected and its exploitability has been verified by using the scoring of docking simulations as a test case for bringing about a proof of concept. Contact statistics between small-molecule fragments and binding site residues were collected and analyzed using a dataset composed of 200,000+ binding sites and associated ligands, derived from the database of the LIBRA ligand binding site recognition software, as a starting point. The fragments were generated by applying the decomposition algorithm implemented in BRICS. A simple “potential” based on the contact frequencies was tested against the CASF-2013 benchmark; its performance was then evaluated through the rescoring of docking poses generated for the DUD-E dataset. The results obtained indicate that this approach, its simplicity notwithstanding, yields promising results that are comparable, and in some cases, superior, to those obtained with other, more complex scoring functions.