bluuebunny/crossref_metadata_2025_split huggingface dataset:
Association of polymorphic variants of <i>GRIN2A</i> and <i>GRIN2B</i> genes with alcohol and tobacco abuse in patients with schizophrenia
Authors: Tiguntsev V. V. , Gerasimova V. I. , Kornetova E. G. , Fedorenko O. Y. , Semke A. V. , Kornetov А. N. 
Published: October 2022

Aim. To compare the frequency of genotypes for polymorphic variants of GRIN2A and GRIN2B genes in patients with schizophrenia and addictive behavior (alcohol / tobacco abuse) and in patients with schizophrenia without addictive behavior in the Slavic population of the Tomsk region.Materials and methods. The study included 219 inpatients with the established diagnosis of schizophrenia who received treatment in the clinics of Mental Health Research Institute and Tomsk Clinical Psychiatric Hospital. A history of alcohol / tobacco abuse was identified during a clinical interview and objective data collection. DNA was isolated from peripheral blood leukocytes by standard phenol – chloroform extraction.15 single nucleotide polymorphisms (SNPs) in the GRIN2A gene and 9 polymorphisms in the GRIN2B gene were selected for genotyping. Allelic variants were determined by real-time polymerase chain reaction (PCR) with specific primers. The SPSS 17.0 software package was used for statistical data processing. The distribution of genotype frequency was assessed using the Pearson’s χ2 test with the Yates’ correction and the Fisher’s exact test.Results. Significant differences in the allele frequency for the rs9788936 polymorphism in the GRIN2A gene (χ2 = 4.23, p = 0.04) and for the rs10845838 polymorphism in the GRIN2B gene (χ2 = 4.27, p = 0.04) were reveled between the groups of patients with and without alcohol abuse. It was found that the polymorphic variant rs8049651 of the GRIN2A gene had a clear association (F = 8.06, p = 0.029) with the development of tobacco addiction in patients with schizophrenia.Conclusion. The study identified the association between alcohol abuse and the rs9788936 polymorphism in the GRIN2A gene and the rs10845838 polymorphism in the GRIN2B gene in patients with schizophrenia. The association between the rs8049651 and rs7190619 polymorphisms in the GRIN2A gene and the development of tobacco abuse in patients with schizophrenia was revealed.
Pathogen-specific molecular imaging and molecular testing methods in the prognosis of the complicated course of diabetic foot syndrome, the risk of amputation, and patient survival
Authors: Zorkaltsev M. A. , Zavadovskaya V. D. , Saprina T. V. , Zamyshevskaya M. A. , Udodov V. D. , Shestakov A. V. , Mikhailova A. A. , Loyko Yu. N. , Musina N. N. 
Published: October 2022

The aim of this review was to provide extended information on current trends in the diagnosis of complicated diabetic foot syndrome (DFS), the most frequent and severe complication of diabetes mellitus, including hightech medical imaging methods and instrumental and laboratory predictors of the complicated course and risk of amputation in DFS.The article provides an analytical review of modern publications over the past 5 years on diagnosis and therapy. Pilot data on the use of high-tech medical imaging methods, assessment of skin microbiota and ulcers in DFS, molecular testing methods in terms of predicting the amputation risk and survival of patients with DFS, as well as the effectiveness of biosensing systems have been systematized, summarized, and subjected to analytical evaluation.The review provides an expert assessment of the capabilities of pathogen-specific molecular imaging using modern positron emission tomography (PET), single-photon emission computed tomography (SPECT), and highenergy radionuclides in bacterial infection to understand its pathogenesis, minimize diagnostic problems, improve antimicrobial treatment, and address fundamental and applied aspects of DFS. Literature data on the assessment of foot perfusion in diabetic patients with varying degrees of limb ischemia by hybrid technologies (SPECT / CT and PET / CT) and new modalities of magnetic resonance imaging (MRI) are also systematized, which contributes to new understanding of the response to revascularization, surgical shunting, and stimulation of angiogenesis within ischemic tissue, as well as potentially to healing of foot ulcers.The review is aimed at substantiating a multidisciplinary approach in DFS, selection, development, and implementation of innovative strategies for diagnostic modalities to identify diabetic foot pathologies, and choice of an adequate method for treating and monitoring the results of therapy in the context of personalized medicine.
Complexation of fluoroquinolones with magnesium ions
Authors: Bakhtin V. M. , Izmozherova N. V. , Belokonova N. A. 
Published: October 2022

Aim. To evaluate strength of magnesium ion complexes with levofloxacin and moxifloxacin.Materials and methods. Complexation of levofloxacin, moxifloxacin, and reference ligands (ethylenediaminetetraacetate (EDTA), sodium citrate, and glycine) with magnesium ions in the range from 0.0 to 1.0 mmol / l was studied. The technique developed by the authors (patent RU 2680519 C1) was used to measure the rate of a model formation reaction of a magnesium phosphate coarse dispersion. Complexing activity of ligands was expressed in relation to EDTA activity and compared with the theoretical ion exchange equilibrium constants. The half maximal effective concentration (C50) calculated by the Michaelis − Menten equation was used to evaluate the dependence of the complexing activity on the dose.Results. A correlation between the activity of EDTA, citrate ions, and glycine and the theoretical equilibrium constants (R = −0.87, p < 0.001) was found. In the range from 0.0 to 0.4 mmol / l, both levofloxacin and moxifloxacin showed a lesser complexing effect than EDTA (p < 0.001), and in the range from 0.6 to 1.0 mmol / l, their complexing effect was comparable (p > 0.050). The activity of fluoroquinolones did not differ at any concentration (p > 0.050), but moxifloxacin C50 (0.13 mmol / l; 95% confidence interval (CI) 0.11–0.15) was significantly lower than that of levofloxacin (0.22 mmol / l; 95% CI 0.19–0.26), (p < 0.001). Within the 0.4–1.0 mmol / l concentration range, the activity of levofloxacin was higher than that of citrate ions and glycine (p < 0.001). Complexing activity of moxifloxacin was higher than that of citrate ions within the range of 0.2–1.0 mmol / l, and in the range of 0.4–1.0 mmol / l, it was higher than that of glycine (p < 0.001).Conclusion. The proposed method showed that the complexing activity of fluoroquinolones was close to that of EDTA and exceeded the activity of citrate ions and glycine. The complexation of fluoroquinolones may be associated with their ability to induce side effects associated with magnesium deficiency.
The effect of depressive disorder on the clinical presentation of coronary artery disease and five-year survival of patients after myocardial infarction
Authors: Nonka T. G. , Lebedeva E. V. , Repin A. N. 
Published: October 2022

Aim. To assess the effect of depressive disorder (DD) on the clinical presentation of coronary artery disease (CAD) and five-year survival rate of patients with chronic CAD.Materials and methods. The study included 79 patients with functional class II–III exertional angina who experienced myocardial infarction more than 6 months before. The patients were divided into two groups: group 1 (n = 45) consisted of patients with CAD and depression and group 2 (n = 34) encompassed patients with CAD without depression. The clinical presentation of CAD was assessed by the results of filling out the angina pectoris self-control diary and exertion tests. The presence and severity of DD were determined using psychometric scales, such as Hospital Anxiety and Depression Scale (HADS) and Beck Depression Inventory (BDI), and verified by the psychiatrist. Information about five-year survival was obtained via telephone interviews with the patients and their relatives.Results. Patients with CAD and DD were characterized by more frequent episodes of angina pectoris during a week (10 [8; 14] vs 6 [4; 7], p = 0.000004), an increased demand for nitroglycerin (4 [0; 10] tablets vs 0 [0; 4] tablets, p = 0.001), and lower exercise tolerance (50 [25; 75] W vs 75 [50; 75] W (p = 0.06), 350 [250; 400] meters vs 435 [350; 500] meters (p = 0.01) than CAD patients without DD. The five-year survival rate was significantly lower in group 1 than in group 2 (69 [62; 72] vs 71 [68; 72] months (p = 0.04)), 35 (77.8%) vs 32 (94.1%) patients survived. In group 1, a greater number of deaths from cardiovascular accidents (10 (22.2%) vs 2 (5.9%)) was noted (log-rank test, p = 0.03).Conclusion. In patients with CAD, associated depression results in aggravation of the clinical course of CAD and poor disease prognosis, which requires timely diagnosis and treatment of DD.
Three-Dimensional Image of Crustal Density Model: A Case Study in South Kamchatka
Authors: Sidorov M.D. , Nurmukhamedov A.G. 
Published: October 2022

Abstract
—The methodology for building a 3D density model of the Earth’s crust and upper mantle for a crustal block in the South Kamchatka Peninsula is presented. The model is derived from the interpretation of the Bouguer anomaly values and data obtained by deep seismic soundings and electrical prospecting methods. 3D image creation can be viewed as a several phase procedure. At the first step, the area of interest is investigated through a network of intersecting profiles utilized for subsequent modeling depth density sections using the parameter scanning procedure. The a priori data include materials of geophysical surveys and geological, and petrophysical studies as well as results of depth estimation at singular points by the Euler deconvolution method. The next step involves formation of a 3D density matrix from the cross-section models. Coordinates in the cross-section planes are defined in the square grid nodes and converted to plane rectangular coordinates (the SK-42 reference system). A file of the cross-sectional database of density values is thus produced. For area shaving a sparse network of cross-sections, an additional database is derived from grid files of densities mapped horizon-wise. This ultimately results in the creation of the unified databases. A 3D network of cubic unit cells for three-dimensional (voxel) representation of density of the geologic medium is calculated. The model of density of unit cube with edge measuring 4 km was constructed for entire investigated block of the Earth’s crust. The model was detailed by decreasing successively the unit cube edges to 2.0, 1.0, and 0.5 km. The 3D modeling results are presented as block diagrams and density isosurface maps in horizontal slices at different depths. The block diagrams show isosurfaces with densities typical of deep subsurface boundaries and structures. The isosurfaces for densities of 2.75 and 2.90 g/cm3 reflect the morphology of the roof of the crystalline basement, and the lower–upper crust boundary, respectively, while the isosurfaces of 3.20 and 3.33 g/cm3 represent feasible shape of the crust–upper mantle contact. The lower-density zone ubiquitously observed in the investigated crustal block is caused by rock destruction along the deep fault. It is identified in the model with 1 km cubic unit cell side and encompasses the feeding systems of volcanoes, namely: Sopka Asacha (Asacha Volcano), Mutnovskaya Sopka (Mutnovsky Volcano), Gorelaya Sopka (Gorely Volcano), and Vilyuchinskaya Sopka (Vilyuchansky Volcano).The model with a 0.50 km cubic unit cell side shows a 2.85 g/cm3 isosurface, which delineates a column-shaped high-density region. A higher density revealed in the block is assumed to be associated with basite intrusions. 3D density models based on cross-section modeling provide additional information for geodynamic reconstructions, allowing a rough estimation of the geometry of concealed geologic features and their volumes, and can be utilized in 3D modeling to build initial models.
Evaluating Stimulation Effectiveness with Permanent Optical Fiber and Sealed Wellbore Pressure Monitoring: Bakken Shale Case Study
Authors: Cipolla Craig , McKimmy Michael , Hari-Roy Stephanie , Wolters Jennifer , Haffener Jackson , Haustveit Kyle , Almasoodi Mouin 
Published: October 2022

SummaryIn 2019, the operator embarked on a data acquisition project in the Bakken, an unconventional shale play in the USA, with the goal of mapping far-field drainage and characterizing completion performance. The project consisted of a six-well pad (10,000-ft laterals) with a dedicated observation lateral located in the Three Forks formation instrumented with cemented pressure gauges and external optical fiber along the 10,000-ft lateral. The observation lateral was offset by Middle Bakken (MB) wells ~450 ft on either side (~900-ft MB-MB well spacing). One of the offset MB wells was instrumented with external optical fiber for cluster-level completion measurements and fracture hit detection.Characterizing hydraulic fracture geometry is critical to improving completion designs and optimizing well spacing. Until recently, microseismic has been the primary diagnostic for estimating “bulk” or stage-level fracture geometry (Warpinski 2009) and parent-child interactions for modern multicluster plug-and-perf completions (Cipolla et al. 2018). However, microseismic cannot provide details on individual fractures or cluster-level measurements. With the continued advances in fiber-optic technologies, we can measure cluster-level fracture behavior at the wellbore and in the far field (Ugueto et al. 2016, 2019). Characterizing the relationship between wellbore and far-field fracture geometry, referred to as fracture morphology, is important when simultaneously optimizing completion design and well spacing. Microseismic and fiber optics are very robust, but expensive, technologies, and this limits the frequency of their application. The recent introduction of sealed wellbore pressure monitoring (SWPM) enables lower-cost, higher-volume data acquisition but may not provide the same level of detail compared with microseismic and fiber-optic measurements.This paper presents a case history that details the application of permanent fiber optics and SWPM to characterize fracture geometry and morphology using distributed acoustic sensing (DAS) for near-wellbore (NWB) measurements along with SWPM and crosswell strain for far-field investigation.This is the first example of both NWB and far-field optical fiber measurements being used to evaluate cluster efficiency in conjunction with SWPM. The SWPM results compared favorably with the fiber measurements; stages with more uniform distribution based on the NWB DAS data also had higher volume to first responses (VFRs) measured using crosswell strain and SWPM.
Magnitude and Predictors of Anaemia among Pregnant women attending Antenatal Clinics in Dar es salaam, Tanzania
Authors: Mvandal Samson Peter , kumbunja Peter Lawrence , Lupoly Godfrey , Nhandi Joseph Shugha 
Published: October 2022

Abstract
Background: Anaemia in pregnancy have been a cause of serious concern and burden as it contributes significantly to high maternal mortality worldwide. This study aims to explore how big the burden of anaemia in pregnant women is, how it can be reduced during antenatal clinic in order to minimize risks and complications of anaemia among pregnant women.
Method: An analytical cross-sectional study design used, involved 560 pregnant women attending antenatal clinic at three regional referral hospitals in Dar es Salaam region, Tanzania, from January to June 2022. Those willing to participate and met inclusion criteria were included in the study. Data was collected by interview through a structured questionnaire. Analysis of data was done using SPSS v25.0, (p<0.001) considered statistical significant.
Results: A total of 560 pregnant women were interviewed. The prevalence of anaemia in pregnancy is high about 70.9% whereby 61.2% participants had mild anaemia, 33.2% participants had moderate anaemia and 25.6% participants had severe anaemia. Significant associations were found between age, education level, marital status, Less ANC attendance (<3 visit), lack of health insurance and lack of employment among pregnant women.
Conclusion: Prevalence of anaemia in pregnancy women is still high and its predictors highly affect its control. Hence the ministry of health in collaboration with other stakeholders should develop policies, educating community on the importance of antenatal visit for early detection and treatment of anaemia and impacting knowledge to medical personnel in management of anaemia in pregnancy and associated complications in order to decrease maternal mortality rate.
Dose-response prediction for in-vitro drug combination datasets: a probabilistic approach
Authors: Rønneberg Leiv , Kirk Paul D.W. , Zucknick Manuela 
Published: October 2022

Abstract
In this paper we propose PIICM, a probabilistic framework for dose-response prediction in high-throughput drug combination datasets. PIICM utilizes a Permutation-Invariant version of the Intrinsic Co-regionalization Model for multi-output Gaussian Process regression, to predict dose-response surfaces in untested drug combination experiments. Coupled with an observation model that incorporates experimental uncertainty, PIICM is able to learn from noisily observed cell-viability measurements in settings where the underlying dose-response experiments are of varying quality, utilize different experimental designs, and the resulting training dataset is sparsely observed. We show that the model can accurately predict dose-response in held-out experiments, and the resulting function captures relevant features indicating synergistic interaction between drugs.
Historical Trends of Aquatic Invasive Species Introduction and Establishment in Illinois, USA
Authors: Cranberg Carter , Keller Reuben 
Published: October 2022

Abstract
Tracking the introduction and establishment of aquatic invasive species (AIS) is important for monitoring the biological and economic health of freshwater environments. The state of Illinois (USA) is a critical region for understanding the threats of AIS because it possesses the only continuous aquatic habitat connecting the Laurentian Great Lakes and Mississippi River Basins. In this study, we update a previous effort to catalogue and evaluate historical AIS records from Illinois. Our updated database shows that there are now at least 92 nonindigenous aquatic species established in Illinois and a further 51 have been recorded as introduced but not established. This is many more species than reported in the earlier database, with this increase made possible due to improved access to data and a longer timeframe of analysis. Rates of introduction and establishment have continued to increase in Illinois over the past century, and we identify new groups of organisms that were not in the previous database. Current sampling efforts are not sufficient to detect the number of invaders present and additional non-native species may be present but not yet recorded. Illinois is likely to remain an important hub for the introduction and spread of invasive aquatic species with implications for freshwater ecosystems across the continent.
Molecular Docking and Analysis of some Ligands on Var2csA Target
Authors: Okeke Ifeanyichukwu 
Published: October 2022

Abstract
Prevalence of malaria during pregnancy and the spate of drug resistance by malaria parasites have constantly impacted maternal, perinatal and neonatal outcomes, especially in sub-Saharan Africa. Inhibiting binding; or displacement of bound infected erythrocytes from the placenta as an adjunct treatment or vaccine for malaria was considered an option towards ending pregnancy associated malaria in this study. Molecular modeling and toxicity predictors used in this study indicated that among the ligands screened, IH3 had the lowest binding energy of -9.8Kcal/mol while var2csA had − 2.8Kcal/mol. Var2csA is parasite’s adhesive protein. It was also observed that out of the 90 ligands (binding affinity range − 9.8 to -1.0 Kcal/mol) screened, IH3 (-9.8Kcal/mol), FAD (-8.4 Kcal/mol), NDP (-8.2 Kcal/mol), A5A (-8.2 Kcal/mol), ABO (-8.1 Kcal/mol), IH2 (-7.8 Kcal/mol), 2RT (-7.7 Kcal/mol), CRO (-7.7 Kcal/mol) and IH1 (-7.7 Kcal/mol) appear to be the most promising lead compounds to occupy var2csA binding pocket in pCSA in order to prevent adhesion of malaria infected erythrocytes to the placenta. SwissADME and Molinspiration Cheminformatics for LogP (mean of 1.07 and range of -2.79 to 4.18) of the lead compounds showed no correlations between lipophilicity and interaction with receptors. Of all the compounds selected for analysis, only ABO and 2RT exhibited drug-like properties based on Ghose, Lipinski and Veber filters. The data therefore suggests that IH3, FAD, NDP, A5A, ABO, IH2, 2RT, CRO, IH1 and var2csA make favourable lead candidates for targeting pCSA and therefore require further in vitro and in vivo evaluations.
Metabolic ecology in aquatic ecosystems: viewed from trophic compartments and communities in food webs
Authors: Aoki Ichiro 
Published: October 2022

Abstract
A different perspective on metabolic ecology is presented using food web data, based on the metabolic traits (biomass, respiration, and production) of trophic compartments and communities in aquatic ecosystems (coastal areas, shelves and estuaries in marine ecosystems, and lake ecosystems), including primary producers (phytoplankton and aquatic plants). The relationships among these metabolic traits in aquatic communities are expressed through power laws; hence, the value of one of the three metabolic traits provides the values of the other two. Noteworthy, these metabolic traits are related to those of primary producers according to various power laws. In other words, the metabolic traits of communities can be estimated from those of primary producers alone. These power laws appear to be universal in marine ecosystems, but vary among different lake ecosystems.
Decrypting the programming of β-methylation in virginiamycin M biosynthesis
Authors: Collin Sabrina , Cox Russell , Paris Cédric , Jacob Christophe , Chagot Benjamin , Weissman Kira , Gruez Arnaud 
Published: October 2022

Abstract
During biosynthesis by multi-modular trans-AT polyketide synthases (PKSs), polyketide structural space can be expanded by conversion of initially-formed electrophilic β-ketones into β-alkyl groups. These multi-step transformations are catalysed by 3-hydroxy-3-methylgluratryl synthase (HMGS) cassettes of enzymes. While mechanistic aspects of these reactions have been delineated, little information is available concerning how the cassettes select the specific polyketide intermediate(s) to target. Here we use integrative structural biology to identify the basis for substrate choice in module 5 of the virginiamycin M trans-AT PKS. Additionally, we show in vitro that module 7, at minimum, is a potential additional site for β-methylation. Indeed, analysis by HPLC-MS coupled with isotopic labelling and pathway inactivation, identifies a metabolite bearing a second β-methyl at the expected position. Collectively, our results demonstrate that several control mechanisms acting in concert underpin β-branching programming. Furthermore, imperfections in this control – whether natural or by design – open up avenues for diversifying polyketide structures towards high-value derivatives.