bluuebunny/crossref_metadata_2025_split huggingface dataset:
The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water
Authors: Belosludov Vladimir , Gets Kirill , Zhdanov Ravil , Malinovsky Valery , Bozhko Yulia , Belosludov Rodion , Surovtsev Nikolay , Subbotin Oleg , Kawazoe Yoshiyuki 
Published: April 2020

AbstractA method for studying the time dependence of the short-range molecular order of water has been proposed. In the present study, water is considered as a dynamic network between molecules at distances not exceeding 3.2 Å. The instantaneous configurations obtained with the molecular dynamics method have been sequentially analyzed. The mutual orientation of each molecule with its neighboring molecules has been studied and the interaction energy of each pair of neighbor molecules has been calculated. The majority of mutual orientation angles between molecules lie in the interval [0°; 20°]. More than 85% of the molecular pairs in each instantaneous configuration form H-bonds and the H-bond network includes all water molecules in the temperature range 233–293 K. The number of H-bonds fluctuates near the mean value and increases with decreasing temperature, and the energy of the vast majority of such bonds is much higher than the thermal energy. The interaction energy of 80% of the H-bonding molecular pairs lies in the interval [−7; −4] kcal/mol. The interaction energy of pairs that do not satisfy the H-bond angle criterion lies in the interval [−5; 4] kcal/mol; the number of such bonds does not exceed 15% and decreases with decreasing temperature. For the first time it has been found that in each instantaneous configuration the H-bond network contains built-in nanometric structural heterogeneities formed by shorter H-bonds. The fraction of molecules involved in the structural heterogeneities increases from 40% to 60% with a temperature decrease from 293 K to 233 K. Each heterogeneity has a finite lifetime and changeable structure, but they are constantly present during the entire simulation time.
Vitamin D receptor promotes healthy microbial metabolites and microbiome
Authors: Chatterjee Ishita , Lu Rong , Zhang Yongguo , Zhang Jilei , Dai Yang , Xia Yinglin , Sun Jun 
Published: April 2020

AbstractMicrobiota derived metabolites act as chemical messengers that elicit a profound impact on host physiology. Vitamin D receptor (VDR) is a key genetic factor for shaping the host microbiome. However, it remains unclear how microbial metabolites are altered in the absence of VDR. We investigated metabolites from mice with tissue-specific deletion of VDR in intestinal epithelial cells or myeloid cells. Conditional VDR deletion severely changed metabolites specifically produced from carbohydrate, protein, lipid, and bile acid metabolism. Eighty-four out of 765 biochemicals were significantly altered due to the Vdr status, and 530 significant changes were due to the high-fat diet intervention. The impact of diet was more prominent due to loss of VDR as indicated by the differences in metabolites generated from energy expenditure, tri-carboxylic acid cycle, tocopherol, polyamine metabolism, and bile acids. The effect of HFD was more pronounced in female mice after VDR deletion. Interestingly, the expression levels of farnesoid X receptor in liver and intestine were significantly increased after intestinal epithelial VDR deletion and were further increased by the high-fat diet. Our study highlights the gender differences, tissue specificity, and potential gut-liver-microbiome axis mediated by VDR that might trigger downstream metabolic disorders.
Feasibility and effects of enhanced recovery vs. conventional care after emergency colon surgery for patients with left colon perforation
Authors: Viñas X. , Macarulla E. , Brugiotti C. , Ramirez J. M. , Pedregosa A. , Sanchez S. , Camps J. , Arroyo A. 
Published: April 2020

AbstractThe impact of an enhanced recovery after surgery (ERAS) programme in emergency colorectal surgery has not yet been reported. The objective of this study was to evaluate the feasibility and the results of patients included in an ERAS protocol following emergency colon surgery for left colon perforation. For this purpose, patients with a low to moderate risk of mortality, according to a Peritonitis Severity Score (PSS), and treated with an ERAS protocol (ERAS group) after emergency surgery for left colon perforation were compared for a period of 40 months (March 2014–June 2017) with a control group of patients treated with conventional care (CC group) during the 38 months prior to implementation of the new ERAS protocol (January 2011–February 2014). The main endpoint was 90-day postoperative morbidity according to the Clavien–Dindo classification. Secondary endpoints included length of postoperative hospital stay, 90-day readmission rate, protocol compliance and mortality. Fifty patients were included in the study, 29 in the ERAS group and 21 in the CC group. There were no significant differences between the groups in the demographic data or in the operative characteristics. A reduction in the incidence of postoperative complications (20.7% vs. 38%; p > 0.05) and in the postoperative hospital stay (7.7 + /- 3.85 vs. 10.9 + /- 5.6 days; p = 0.009) were observed in the ERAS group. The 90-day readmission rate did not differ significantly between the two groups (2 vs. 1). No 90-day mortality was observed in either group. The ERAS group showed better results than the CC group in protocol compliance. We conclude that ERAS protocols are feasible and help to reduce morbidity and length of hospital stay without adversely affecting the rate of readmission or mortality.
Tunneling induced two-dimensional phase grating in a quantum well nanostructure via third and fifth orders of susceptibility
Authors: Vafafard Azar , Sahrai Mostafa , Hamedi Hamid Reza , Asadpour Seyyed Hossein 
Published: April 2020

AbstractWe study the nonlinear optical properties in an asymmetric double AlGaAs/GaAs quantum well nanostructure by using an external control field and resonant tunneling effects. It is found that the resonant tunneling can modulate the third-order and fifth-order of susceptibilities via detuning frequency of coupling light. In presence of the resonant tunneling and when the coupling light is in resonance with the corresponding transition, the real parts of third-order and fifth-order susceptibilities are enhanced which are accompanied by nonlinear absorption. However, in off-resonance of coupling light, real parts of third-order and fifth-order susceptibilities enhance while the nonlinear absorption vanishes. We investigate also the two-dimensional electromagnetically induced grating (2D-EIG) of the weak probe light by modulating the third-order and fifth-order susceptibilities. In resonance of coupling light, both amplitude and phase grating are formed in the medium due to enhancement of third-order and fifth-order probe absorption and dispersion. When the coupling light is out of resonance, most of probe energy is transferred from zero-order to higher-order directions due to resonant tunneling effect. The efficiency of phase grating for third-order of susceptibility is higher than phase grating for fifth-order susceptibility. Our proposed model may be useful for optical switching and optical sensors based on semiconductor nanostructures.
Impact of season on the association between vitamin D levels at diagnosis and one-year remission in early Rheumatoid Arthritis
Authors: Herly M. , Stengaard-Pedersen K. , Vestergaard P. , Christensen R. , Möller S. , Østergaard M. , Junker P. , Hetland M. L. , Hørslev-Petersen K. , Ellingsen T. 
Published: April 2020

AbstractThe study evaluates associations between serum vitamin D metabolites at diagnosis and one-year remission, in early diagnosed rheumatoid arthritis(RA). The CIMESTRA-cohort comprised 160 newly diagnosed RA patients, treated aiming at remission. Vitamin D supplementation was recommended according to national guidelines. Dtotal(25OHD2 + 25OHD3) was dichotomized at 50 nmol/L, 1,25(OH)2D was categorized in tertiles. Primary outcome was remission(DAS28-CRP ≤ 2.6) after one year. Associations were evaluated using logistic regression, further adjusted for pre-specified potential confounders: Age, sex, symptom-duration before diagnosis, DAS28-CRP and season of diagnosis. Results are presented as Odds Ratios(OR) with 95% Confidence Intervals(95%CIs). In univariate analyses, neither Dtotal nor 1,25(OH)2D were associated with remission. In adjusted analyses, low Dtotal was associated with higher odds for remission; OR 2.6, 95%CI (1.1; 5.9) p = 0.03, with season impacting results the most. One-year remission was lower in patients with diagnosis established at winter. In conclusion, low Dtotal at diagnosis was associated with increased probability of achieving one-year remission in early RA when adjusting for covariates. Diagnosis in winter was associated with lower odds for one-year remission. Results suggest that season act as a contextual factor potentially confounding associations between vitamin D and RA disease-course. The finding of low Dtotal being associated with higher one-year remission remains speculative.
Comprehensive analysis of the SLC16A gene family in pancreatic cancer via integrated bioinformatics
Authors: Yu Shan , Wu Yanshuang , Li Chunlong , Qu Zhaowei , Lou Ge , Guo Xiaorong , Ji Jingjing , Li Nan , Guo Mian , Zhang Maomao , Lei Lei , Tai Sheng 
Published: April 2020

AbstractSLC16A family members play crucial roles in tumorigenesis and tumor progression. However, the exact role of distinct members in the SLC16A family in human pancreatic cancer remains unclear. Integrated bioinformatics analysis for the identification of therapeutic targets for certain cancers based on transcriptomics, proteomics and high-throughput sequencing could help us obtain novel information and understand potential underlying molecular mechanisms. In the present study, we investigated SLC16A family members in pancreatic cancer through accumulated data from GEO (Gene Expression Omnibus), TCGA (The Cancer Genome Atlas) and other available databases. The expression profile, clinical application significance and prognostic value of the SLC16A family for patients with pancreatic cancer were explored. SLC16A1, SLC16A3 and SLC16A13 exhibited biomarker potential for prognosis, and we further identified their related genes and regulatory networks, revealing core molecular pathways that require further investigation for pancreatic cancer.
Exploratory Data Analysis of Adverse Birth Outcomes and Exposure to Oxides of Nitrogen Using Interactive Parallel Coordinates Plot Technique
Authors: Mitku Aweke A. , Zewotir Temesgen , North Delia , Naidoo Rajen N. 
Published: April 2020

AbstractWe propose that a parallel coordinates plot can be used to study multidimensional data particularly to explore discovery of patterns across the variables. This can assist researchers from the health sciences to visualize their cohort data with interactive data analysis. The study used data from Mother and Child in the Environment birth cohort in Durban, South Africa for the period 2013 to 2017 retrospectively registered. In this paper, we demonstrate that the exploration of multidimensional data with parallel coordinates plot and use of brushing using different colours assists with the identification of relationships and patterns. Parallel coordinates plot visualization facilitates the researcher’s skills to find trends, identify outliers and perform quality checks in large multivariate data. We have identified trends in the data that provide directions for further research, and illustrated thereby the potential of parallel coordinates plot to explore patterns and relationships of prenatal oxides of nitrogen exposure with multidimensional birth outcomes. The study recognized the co-occurrence of adverse birth outcomes among infants and these infants had mothers with moderate to high level of NOx exposure during pregnancy. Brushing using different colours facilitated the detection of patterns of relationships to perform basic and advanced statistical model-based analysis.
Polymorphisms in PARP1 predict disease-free survival of triple-negative breast cancer patients treated with anthracycline/taxane based adjuvant chemotherapy
Authors: Liao Yuqian , Liao Yulu , Li Jun , Xiong Jianping , Fan Ying 
Published: April 2020

AbstractTriple-negative breast cancer (TNBC) is a highly aggressive disease and of poor prognosis. It is very important to identify novel biomarkers to predict therapeutic response and outcome of TNBC. We investigated the association between polymorphisms in PARP1 gene and clinicopathological characteristics or survival of 272 patients with stage I-III primary TNBC treated with anthracycline/taxane based adjuvant chemotherapy. We found that after adjusted by age, grade, tumor size, lymph node status and vascular invasion, rs7531668 TA genotype carriers had significantly better DFS rate than TT genotype carriers, the 5 y DFS was 79.3% and 69.2% (P = 0.046, HR 0.526 95% CI 0.280–0.990). In lymph node negative subgroup, DFS of rs6664761 CC genotype carriers was much better than TT genotype carriers (P = 0.016, HR 0.261 95% CI 0.088–0.778) and DFS of rs7531668 AA genotype carriers was shorter than TT genotype carriers (P = 0.015, HR 3.361 95% CI 1.259–8.969). In subgroup of age ≤ 50, rs6664761 TC genotype predicted favorable DFS than TT genotype (P = 0.042, HR 0.405 95% CI 0.170–0.967). Polymorphisms in PARP1 gene had no influence on treatment toxicities. After multivariate analysis, tumor size (P = 0.037, HR = 2.829, 95% CI: 1.063–7.525) and lymph node status (P < 0.001, HR = 9.943, 95% CI: 2.974–33.243) were demonstrated to be independent prognostic factors. Our results suggested that polymorphisms in PARP1 gene might predict the DFS of TNBC patients treated with anthracycline/taxane based adjuvant chemotherapy.
Comparative study on hemoglobin A1c, glycated albumin and glycosylated serum protein in aplastic anemia patients with Type 2 diabetes mellitus
Authors: Suo Minghuan , Wen Dongmei , Wang Weijia , Zhang Tingting 
Published: April 2020

Abstract
Objective: To differentiate the value of hemoglobin A1c (HbA1c), glycated albumin (GA) and glycosylated serum protein (GSP) in monitoring blood glucose of patients with aplastic anemia.
Methods: 42 patients with aplastic anemia (AA) and 30 patients with AA and Type 2 diabetes mellitus (T2DM) were enrolled in the study, in comparison with 114 healthy subjects and 88 subjects with T2DM. HbA1c, GA, GSP, fasting plasma glucose (FPG), hemoglobin (Hb) and albumin (ALB) were measured, and group comparison and correlation analysis were carried out.
Results: Compared with the non-diabetes patients while ALB were &lt;30 g/l or 30–40 g/l, the HbA1c and GSP values in AA, T2DM and AA+T2DM patients were significantly higher while the GA values were lower. Moreover, no differences in FPG levels. The AA+T2DM patients with ALB &gt;40 g/l had higher HbA1c level, with no difference in GA, GSP and FPG levels. There was a positive correlation between HbA1c and GA in healthy group (ALB ≥ 40 g/l), AA patients (ALB 30–40 g/l and ≥40 g/l), T2DM patients (ALB 30–40 g/l and ≥40 g/l) and AA+T2DM patients (ALB 30–40 g/l and ≥40 g/l) but not in those with ALB &lt; 30 g/l.
Conclusion: The HbA1c results were affected by moderate-to-severe anemia, but not mild anemia. HbA1c is not recommended to detect blood glucose levels in AA patients (Hb &lt; 90 g/l) or AA patients (ALB &lt; 30 g/l). FPG and GSP are not suitable for AA patients.
Hyperfine excitation of SH+ by H
Authors: Lique François , Zanchet Alexandre , Bulut Niyazi , Goicoechea Javier R. , Roncero Octavio 
Published: April 2020

Context. SH+ is a surprisingly widespread molecular ion in diffuse interstellar clouds. There, it plays an important role by triggering the sulfur chemistry. In addition, SH+ emission lines have been detected at the UV-illuminated edges of dense molecular clouds, so-called photo-dissociation regions (PDRs), and toward high-mass protostars. An accurate determination of the SH+ abundance and of the physical conditions prevailing in these energetic environments relies on knowing the rate coefficients of inelastic collisions between SH+ molecules and hydrogen atoms, hydrogen molecules, and electrons.
Aims. We derive SH+–H fine and hyperfine-resolved rate coefficients from recent quantum calculations for the SH+–H collisions, including inelastic, exchange, and reactive processes.
Methods. The method we used is based on the infinite-order sudden approach.
Results. State-to-state rate coefficients between the first 31 fine levels and 61 hyperfine levels of SH+ were obtained for temperatures ranging from 10 to 1000 K. Fine-structure resolved rate coefficients present a strong propensity rule in favor of Δj = ΔN transitions. The Δj = ΔF propensity rule is observed for the hyperfine transitions.
Conclusions. The new rate coefficients will help significantly in the interpretation of SH+ spectra from PDRs and UV-irradiated shocks where the abundance of hydrogen atoms with respect to hydrogen molecules can be significant.
3 ungewöhnliche Verläufe von gastrointestinalen MALT-Lymphomen
Authors: Fischbach Wolfgang , Eck Matthias , Dorlöchter Christian 
Published: April 2020

ZusammenfassungWir berichten über den ungewöhnlichen Krankheitsverlauf von drei Patienten mit gastro-intestinalen MALT-Lymphomen. Besonderheiten sind die primäre Manifestation der Lymphome, die hochmaligne Transformation im weiteren Verlauf, der lange Zeitraum zwischen initial erfolgreicher kurativ intendierter Therapie und dem Rezidiv und das Auftreten einer weiteren Neoplasie in einem Fall. Dies zeigt, dass trotz der allgemein guten Prognose von gastrointestinalen MALT-Lymphomen Nachsorgeuntersuchungen sinnvoll sind.
Interdisziplinäre Betreuung von Patienten mit Kurzdarmsyndrom in Deutschland: Eine Cost-of-Illness-Analyse der stationären und ambulanten Behandlung im Vergleich zum erzielten DRG-Erlös
Authors: Muazzam Muhammad Nur , Hauk Christopher , Arensmeyer Jan , Hausen Annekristin , Koeppen Philipp , Kalff Jörg C. , von Websky Martin W. 
Published: April 2020

Zusammenfassung
Hintergrund und Fragestellung Das Kurzdarmsyndrom (KDS) ist eine oft chronische Erkrankung mit hoher Morbidität. Diese Untersuchung sollte Versorgungsrealität und -kosten bei der Behandlung von KDS aus Sicht eines Maximalversorgers mit angeschlossener Hochschulambulanz darstellen.
Material und Methodik Es wurden Behandlungsdaten von elf konsekutiven KDS-Patienten am Universitätsklinikum Bonn über vier Jahre anonymisiert ausgewertet. Die ermittelten Leistungen wurden für das Diagnosejahr und drei folgende Behandlungsjahre entsprechend geltenden Leistungskatalogen monetär bewertet.
Ergebnisse Die medianen stationären Tage reduzierten sich von 96 (Diagnosejahr) auf drei Tage im dritten Jahr. Dementsprechend sanken die medianen stationären Therapiekosten von rund 84 500 € auf 3200 €. Die operativen Maßnahmen verlagerten sich von komplexen viszeralchirurgischen Operationen zu meist gefäßchirurgischen Interventionen zur Aufrechterhaltung der venösen Zugangswege. Die DRG-Pauschalen deckten nur rund 50 % der tatsächlichen stationären Kosten. Die Hochschulambulanz-Pauschale deckte rund 16,5 % der ambulanten Leistung. Die jährlichen medianen Kosten für Arzneimittel betrugen 6752 €, für parenterale Ernährung 48 485 € und für die Therapie mit einem GLP-2-Analogon 138 442 €.
Folgerung Die interdisziplinäre Versorgung von KDS-Patienten ist kosten- und ressourcenintensiv. Sie verlagert sich vom stationären in den ambulanten Sektor. Weder die stationäre noch die ambulante Behandlung ist zurzeit kostendeckend vergütet. Dies führt zu fortbestehenden Mängeln der Patientenversorgung in Zeiten ökonomischer Rationalisierung, sodass von der Notwendigkeit zusätzlicher Maßnahmen analog zur sektorenübergreifenden Versorgungsverbesserung bei anderen seltenen Erkrankungen auszugehen ist.
TRAINING ON IMPROVING THE COMPETENCY LEVEL OF SELFADMINISTRATION OF INSULIN AMONG TYPE 2 DIABETES PATIENTS
Authors: Shettigar Swetha , Kamath Ashwini , Alva Glancy Linet , T. Latha , Raju Nevil Johnson 
Published: April 2020

AbstractThe study was conducted with the objectives to assess the effectiveness of training on self-administration of insulin among type 2 diabetes patients and to determine the relationship between knowledge and skill in self administration of insulin. An evaluative approach with quasi experimental research (one group pre-test post-test) design was adopted for the study. A study was carried out with 30 patients from Kasturba Hospital Manipal. Demographic proforma, knowledge questionnaire and observational checklist on self administration of insulin were used to collect the data. Patients were trained after the pre-test by lecture cum demonstration method and post test was implemented after eight days of training. The study observed that the majority of the sample was having a high school education (40%) males (66.67%) with mean age of 52.87+7.66 years. Most of them received information related to health from TV (63.33%). The duration of Diabetes was 5-10 years (30%) and astonishingly half of them have a family history of Diabetes (50%). The computed paired t was statistically significant in improving the knowledge (t = 27.97, p < 0.001) and skill (t = 16.7, p < 0.001) in self administration of insulin among type 2 diabetes patients. There was a weak positive statistical relationship (r = 0.4, p< 0.05) between knowledge and skill. Therefore, it is concluded that training was effective in enhancing both knowledge and skill in self administration of insulin. The nursing personnel need to take initiative in directing, teaching and educating patients about self administration practices which can be better understood by the patients, family members and the community at large.
A STUDY ON THE CULTURAL PRACTICES OF POSTNATAL MOTHERS IN SELECTED HOSPITALS AT MANGALORE
Authors: B. Sunanda , Paul Shynee 
Published: April 2020

AbstractCulture may be defined as a shared system of beliefs, values, and behavioural expectations that provide social structure for daily living. Much of the woman's behaviour during the postpartum period is strongly influenced by her cultural background. This study was conducted to identify the cultural practices among the postnatal mothers in selected hospitals at Mangalore. The data was collected from 200 samples between 17-09-12 and 03-11-12 in various hospitals at Mangalore. Descriptive survey research approach was adopted, and collected data were analyzed using descriptive and inferential statistics. Distribution of the samples based on demographical characteristics revealed that 49% of the samples were in the age group of 25-29 years, 48.5% of the samples had primary education, 49.5% of the samples were from Muslim religion, 89% of the home makers, 65.5% of the joint family and 76% of the rural mothers were participated in the study. Majority of the mothers were consumed home medicine, restricted to use cold water, restricted to perform spiritual activities, 16.5% of the mothers had a practice of applying herbal medicine to hasten the cord to dry during the postnatal period. 59.5% of the mothers were following unhygienic practice that using a cloth soaked in baby's urine to remove the coated tongue. Hence the study concluded that the postnatal mothers had followed some of the cultural practices mostly in rural areas.