bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extraction of molecular features for the drug discovery targeting protein‐protein interaction of Helicobacter pylori CagA and tumor suppressor protein ASSP2
Authors: Junaid Muhammad , Li Cheng‐Dong , Shah Masaud , Khan Abbas , Guo Haoyue , Wei Dong‐Qing 
Published: May 2019

AbstractHalf of the world population is infected by the Gram‐negative bacterium Helicobacter pylori (H. pylori). It colonizes in the stomach and is associated with severe gastric pathologies including gastric cancer and peptic ulceration. The most virulent factor of H. pylori is the cytotoxin‐associated gene A (CagA) that is injected into the host cell. CagA interacts with several host proteins and alters their function, thereby causing several diseases. The most well‐known target of CagA is the tumor suppressor protein ASPP2. The subdomain I at the N‐terminus of CagA interacts with the proline‐rich motif of ASPP2. Here, in this study, we carried out alanine scanning mutagenesis and an extensive molecular dynamics simulation summing up to 3.8 μs to find out hot spot residues and discovered some new protein‐protein interaction (PPI)‐modulating molecules. Our findings are in line with previous biochemical studies and further suggested new residues that are crucial for binding. The alanine scanning showed that mutation of Y207 and T211 residues to alanine decreased the binding affinity. Likewise, dynamics simulation and molecular mechanics with generalized Born surface area (MMGBSA) analysis also showed the importance of these two residues at the interface. A four‐feature pharmacophore model was developed based on these two residues, and top 10 molecules were filtered from ZINC, NCI, and ChEMBL databases. The good binding affinity of the CHEMBL17319 and CHEMBL1183979 molecules shows the reliability of our adopted protocol for binding hot spot residues. We believe that our study provides a new insight for using CagA as the therapeutic target for gastric cancer treatment and provides a platform for a future experimental study.
A structured literature review of interventions used in the management of nonalcoholic steatohepatitis (NASH)
Authors: Povsic Manca , Oliver Louisa , Jiandani Neha Raju , Perry Richard , Bottomley Juliana 
Published: May 2019

AbstractNonalcoholic steatohepatitis (NASH) is a chronic, progressive disease, that can advance to fibrosis, cirrhosis, and hepatocellular carcinoma. Despite being a leading cause of liver transplantation, there are no approved pharmacological treatments. Our aim was to identify literature on management options in NASH. Our structured review of interventions treating NASH patients from English language publications between 1 January 2007 and 25 September 2017 elicited 48 eligible references. Lifestyle management was identified as the mainstay of NASH therapy. Vitamin E and pioglitazone reported reductions in steatosis; however, although recommended for some, no therapies are indicated in NASH. Multiple investigational treatments reported efficacy in mild‐to‐moderate fibrosis in Phase II/III NASH trials. Lifestyle management, although the focus of clinical guidelines, is insufficient for patients progressing to advanced fibrosis. With no clear guidelines for patients requiring interventions beyond lifestyle modification, long‐term outcomes data are needed, particularly in patients with moderate‐to‐severe fibrosis.
Synthesis and Docking Study of Pyrimidine Derivatives Scaffold for Anti‐Hypertension Application
Authors: Katouah Hanadi A. , Gaffer Hatem. E. 
Published: May 2019

AbstractThe present work introduces four new macromolecules pyrrolo[2,3‐d]pyrimidine scaffolds substituted with various benzene‐sulfonamide moieties; those were picked up via cyclization of 2‐amino‐3‐cyanopyrroles with phenyl isothiocyanate. The newly prepared pyrrolopyrimidine derivatives have been elucidated by spectroscopic techniques (FT‐IR, 1HNMR, 13CNMR and MS) and elemental analyses. The antihypertensive activity of the synthesized pyrrolopyrimidine derivatives based on sulfonamide moiety was evaluated. All pyrrolopyrimidine derivatives were showed a potent antihypertensive activity than Prazosin that utilized as standard drug. The structure activity relationship (SAR) was studied to correlate the influence of sulfonamide group with the aminopyrimidine moiety. Molecular docking for the synthesized derivatives and theoretical statistics were carried out to expect their antihypertensive efficacy.
Synthesis of ZnTiO3@TiO2 Heterostructure Nanomaterial as a Visible light Photocatalyst
Authors: Bhagwat Ujwala O. , Wu Jerry J. , Asiri Abdullah M. , Anandan Sambandam 
Published: May 2019

AbstractHere ZnTiO3@TiO2 heterostructure nanomaterial was prepared through a simple sonochemical strategy using TiO2 (P25) with zinc nitrate as a precursor and then calcined the obtained sample at 700 °C in 2h for the photocatalytic degradation of Congo red dye solution. XRD result confirms that the diffraction patterns related to the ZnTiO3 and TiO2 as heterostructure with high purity. SEM confirms that particles are irregular in shape with high agglomeration and HRTEM reveals that ZnTiO3@TiO2 is highly crystalline with a lattice spacing of 0.37 nm. The calculated band gap of as‐synthesized ZnTiO3@TiO2 heterostructure nanomaterial is found to be 3.07 eV. The photocatalytic degradation of as prepared ZnTiO3@TiO2 heterostructure was investigated for the degradation of Congo red dye by varying the effect of catalyst amount and initial dye concentration. The ZnTiO3@TiO2 heterostructure nanomaterial exhibited 96% degradation efficiency of Congo red in 4h under visible light illumination. Moreover, the photodegradation mechanism of Congo red was studied with various scavengers such as EDTA, IPA, and Benzoquinone. Further, the detection of OH radicals during photocatalytic processes was confirmed by luminescence technique using terephthalic acid (TA) as a test molecule.
Nanoparticle Linker‐Controlled Molecular Wire Devices Based on Double Molecular Monolayers
Authors: Seo Sohyeon , Viet Bui Quoc , Hwang Eunhee , Cho Yunhee , Lee Junghyun , Kawazoe Yoshiyuki , Lee Hyoyoung 
Published: May 2019

AbstractHighly conductive molecular wires are an important component for realizing molecular electronic devices and have to be explored in terms of interactions between molecules and electrodes in their molecular junctions. Here, new molecular wire junctions are reported to enhance charge transport through gold nanoparticle (AuNP)‐linked double self‐assembled monolayers (SAMs) of cobalt (II) bis‐terpyridine molecules (e.g., Co(II)(tpyphS)2). Electrical characteristics of the double‐SAM devices are explored in terms of the existence of AuNP. The AuNP linker in the Co(II)(tpyphS)2–AuNP–Co(II)(tpyphS)2 junction acts as an electronic contact that is transparent to electrons. The weak temperature dependency of the AuNP‐linked molecular junctions strongly indicates sequential tunneling conduction through the highest occupied molecular orbitals (HOMOs) of Co(II)(tpyphS)2 molecules. The electrochemical characteristics of the AuNP–Co(II)(tpyphS)2 SAMs reveal fast electron transfer through molecules linked by AuNP. Density functional theory calculations reveal that the molecular HOMO levels are dominantly affected by the formation of junctions. The intermolecular charge transport, controlled by the AuNP linker, can provide a rational design for molecular connection that achieves a reliable electrical connectivity of molecular electronic components for construction of molecular electronic circuits.
Conceptualizing resilience in engineering systems: An analysis of the literature
Authors: Wied Morten , Oehmen Josef , Welo Torgeir 
Published: May 2019

AbstractIt is now widely recognized that many important events in the life cycle of complex engineering systems cannot be foreseen in advance. From its origin in ecological systems, operating without the use of foresight, resilience theory prescribes presuming ignorance about the future, and designing systems to manage unexpected events in whatever form they may take. However, much confusion remains as to what constitutes a resilient system and the implications for engineering systems. Taking steps toward a synthesis across a fragmented body of research, this paper analyses 251 definitions in the resilience literature, aiming to clarify key distinctions in the resilience concept. Asking resilience of what, to what, and how, we first distinguish systems serving higher ends and systems that are ends in themselves, and, within these, performance variables to be minimized, preserved, or maximized. Second, we distinguish systems subject to adverse events, adverse change, turbulence, favorable events, favorable change, and variation. Finally, we distinguish systems capable of recovery, absorption, improvement, graceful degradation, minimal deterioration, and survival. Together, these distinctions outline a morphology of resilient systems and suggest answers to the principal design questions, which must be asked of any resilient engineering system.
Detection and isolation of Shiga Toxin‐producing Escherichia coli (STEC) strains in caecal samples from pigs at slaughter in Italy
Authors: Arancia Silvia , Iurescia Manuela , Lorenzetti Serena , Stravino Fiorentino , Buccella Carmela , Caprioli Andrea , Franco Alessia , Battisti Antonio , Morabito Stefano , Tozzoli Rosangela 
Published: May 2019

AbstractShiga toxin‐producing Escherichia coli (STEC) strains are food‐borne pathogens of public health concern. Despite ruminants are the most important reservoir, STEC human infections have also been attributed to pigs. We examined for the presence of STEC in 234 samples of swine caecal content collected during the year 2015 at Italian abattoirs in the framework of the harmonized monitoring of antimicrobial resistance (Decision 2013/652/EU). The presence of stx genes was detected in 122 (52.1%) samples, which were subsequently subjected to STEC isolation and characterization. The analysis of the 66 isolated STEC strains showed that the majority of the isolates (74.2%) possessed the stx2a gene subtype, in a few cases (16.7%) in combination with stx2b or stx2c. Only 25.8% of isolates possessed the stx2e subtype, typical of swine‐adapted STEC. None of the isolates possessed the intimin‐coding eae gene and the majority of them did not belong to serogroups commonly associated with human infections. The results of this study suggest that pigs can be considered as potential reservoir of certain STEC types.
Perfect information games where each player acts only once
Authors: Cingiz Kutay , Flesch János , Herings P. Jean-Jacques , Predtetchinski Arkadi 
Published: May 2019

AbstractWe study perfect information games played by an infinite sequence of players, each acting only once in the course of the game. We introduce a class of frequency-based minority games and show that these games have no subgame perfect$$\epsilon $$ϵ-equilibrium for any$$\epsilon $$ϵsufficiently small. Furthermore, we present a number of sufficient conditions to guarantee existence of subgame perfect$$\epsilon $$ϵ-equilibrium.
Which Water Sources Do People Revert to in Times of War? Evidence from the Sana’a Basin, Yemen
Authors: Aklan Musaed M. , de Fraiture Charlotte , Hayde Laszlo G. 
Published: May 2019

Abstract
Current war in Yemen affects the lives of Yemenis, their properties, and basic needs through several impacts and damages on fuel, electricity, and water systems. This paper investigates how this war has affected the people’s main water sources. The war impact framework developed in this study is the combination of difference-in-difference (DID) and Human Rights to Water and Sanitation (HRWS) framework, as so far there are no tools to gage the impact of wars on people’s choices of water sources. The availability, accessibility, and prices of water keep unstable. Decentralized systems of water and energy showed more stability than public-centralized systems. The majority of families relied on the public water and electricity systems before the war. Now, while the war is ongoing the public water networks and electricity grids serve not more than 10% of families. Solar energy has become the first energy source. Rainwater started to be collected as secondary water source. Getting water and energy through renewable sources is accepted and supported by locals. Many people are willing to continue using these new sources. This study verifies the importance of renewable resources transition to achieve secure sustainable water management.
Total duration of antimicrobial therapy resulting from inpatient hospitalization
Authors: Dyer April P. , Dodds Ashley Elizabeth , Anderson Deverick J. , Sarubbi Christina , Wrenn Rebekah , Hicks Lauri A. , Srinivasan Arjun , Moehring Rebekah W. 
Published: May 2019

AbstractObjective:To assess the feasibility of electronic data capture of postdischarge durations and evaluate total durations of antimicrobial exposure related to inpatient hospital stays.Design:Multicenter, retrospective cohort study.Setting:Two community hospitals and 1 academic medical center.Patients:Hospitalized patients who received ≥1 dose of a systemic antimicrobial agent.Methods:We collected and reviewed electronic data on inpatient and discharge antimicrobial prescribing from April to September 2016 in 3 pilot hospitals. Inpatient antimicrobial use was obtained from electronic medication administration records. Postdischarge antimicrobial use was calculated from electronic discharge prescriptions. We completed a manual validation to evaluate the ability of electronic prescriptions to capture intended postdischarge antibiotics. Inpatient, postdischarge, and total lengths of therapy (LOT) per admission were calculated to assess durations of antimicrobial therapy attributed to hospitalization.Results:A total of 45,693 inpatient admissions were evaluated. Antimicrobials were given during 23,447 admissions (51%), and electronic discharge prescriptions were captured in 7,442 admissions (16%). Manual validation revealed incomplete data capture in scenarios in which prescribers avoided the electronic system. The postdischarge LOT among admissions with discharge antimicrobials was median 8 days (range, 1–360) with peaks at 5, 7, 10, and 14 days. Postdischarge days accounted for 38% of antimicrobial exposure days.Conclusion:Discharge antimicrobial therapy accounted for a large portion of antimicrobial exposure related to inpatient hospital stays. Discharge prescription data can feasibly be captured through electronic prescribing records and may aid in designing stewardship interventions at transitions of care.
The effect of an unsaturated-fat diet on cataract formation in streptozotocin-induced diabetic rats
Authors: Hutton J. C. , Schofield P. J. , Williams J. F. , Regtop H. L. , Hollows F. C. 
Published: May 2019

1. Cataract formation in streptozotocin-induced diabetes in rats was reduced by approximately 85% when a diet rich in maize oil (300 g/kg diet) (fat diet) was given, thus confirming results of earlier studies. However, the concentration of sorbitol in the lens of diabetic animals remained high, the values for diabetic rats given the standard diet and the fat diet being 65 and 40μmol/g protein respectively.2. With the standard diet, the fatty acid profile of the triglycerides of the epididymal fat pads was characterized by a greater relative proportion of saturated fatty acids for the diabetic animals compared to that for the normal animals. The fat diet moderated the tendency towards saturation in the diabetic animals.3. The fat diet had other effects on the diabetic animals; these included a reduced mortality rate, increased body-weight, a decrease in the daily water intake, and in the daily urinary excretion of glucose and urea.4. In the diabetic animals the fat diet had no effect on the specific activities in the liver of hexokinase (EC2.7.1.1), glucokinase (EC2.7.1.2), phosphofructokinase (EC2.7.1.11) and pyruvate kinase (EC2.7.1.40). However, the specific activity of glucose-6-phosphatase (EC3.1.3.9) was reduced, while that of malate dehydrogenase (decarboxylating) (NADP) (EC1.1.1.40) was increased. The NAD+: NADH ratio, as calculated from liver pyruvate and lactate concentrations, tended to increase.5. The results suggested that the fat diet moderated the long-term metabolic effects of diabetes.
Fertilizer calcium as a factor affecting the voluntary intake, digestibility and retention time of pangola grass (Digitaria decumbens) by sheep
Authors: Rees M. C. , Minson D. J. 
Published: May 2019

1. Pangola grass (Digitaria decumbens) grown with and without calcium fertilizer was cut at three stages of regrowth to measure voluntary intake of dry matter (DM) and digestibility of various components of the dried-grass diet by sheep kept in metabolism crates. To determine the extent of a simple Ca deficiency half the sheep on each diet were supplemented with 1·4g Ca/d. Retention times of the various dietary components in the reticulo-rumen were also determined.2. Feeding a Ca supplement had no effect on voluntary intake or digestibility.3. Ca fertilizer increased the Ca content of the grass from 2·2 to 3·8 g/kg DM and DM digestibility from 0·455 to 0·476 (P < 0·01) due to an increase in the digestibility of the hemicellulose.4. Voluntary intake was increased from 38·8 to 43·2 g/kg body-weight0·75 per d by Ca fertilizer due to an 18% reduction in the period of time the DM was retained in the reticulo-rumen.5. Regressions relating voluntary intake to DM digestibility for the Ca-fertilized and control grass were significantly different (P < 0·01). When compared at the same DM digestibility the voluntary intake of the Ca-fertilized grass was 2·6 g/kg body-weight0·75 per d higher than that of the control.6. It was concluded that Ca fertilizer increased both DM digestibility and voluntary intake as a result of changes in the structural composition of the grass and not by a simple increase in the Ca content of the diet.
The copper status of beef cattle in Northern Ireland
Authors: Thompson R. H. , Todd J. R. 
Published: May 2019

1. Serum caeruloplasmin (ferroxidase I;EC1.16.3.1) activity has been used as an indicator of copper status of cattle to survey beef herds in Northern Ireland.2. The main survey covered some 20000 cows on 1200 farms.3. The results are reported in the form of a map showing areas where herds of low and very-low Cu status predominate. Clinical signs of Cu deficiency in calves were encountered in only two areas.
On Unifying the Israeli Trial Court Structure
Authors: Goldstein Stephen 
Published: May 2019

In the Spring of 1977, Prof. Shalev Ginossar published a brief but highly important article, “The Law's Delay”, in which he advocated, inter alia, simplifying the Israeli judicial structure by combining the various courts into one.In July 1979, the then Minister of Justice, Mr. Shmuel Tamir, appointed a select committee headed by Justice Moshe Landau, then Deputy President of the Israeli Supreme Court, and soon to become its President, which was charged with studying the structure and jurisdictions of the Israeli court system, with the aim of recommending significant changes. Among the witnesses who appeared before this Committee was Prof. Ginossar, himself, and there was reason to believe that the Committee might recommend adopting some of the basic changes in the Israeli court structure that Prof. Ginossar advovcated.
The Relative Wealth of the Parties as a Factor in Tortious Liability
Authors: Pariente Gil 
Published: May 2019

In its desire to reduce the loss and expense involved in the occurrence of accidents, organized society is likely to consider various factors determining the nature of the rules (whether legal or other) that will guide it in its decision. These factors may includemoralfault (in the accepted meaning of the term),economicfault or the relative wealth of the parties involved in causing the loss.The purpose of this article is to examine the third factor, ie‥ relative wealth. By “relative wealth of the parties” we mean the quantity of property of monetary value in the hands of each of the parties relative to the aggregate property of the other parties and to the property of each. The parties in question are not necessarily those physically involved in causing the damage but those persons or groups which the rules for allocation of loss regard as potential bearers of the loss.
Federal Systems of Government
Authors: Elman P. , Knisbacher M. 
Published: May 2019

It is perhaps paradoxical that the spread of nationalism in modern times has been accompanied by a counter-movement for the establishment of broader units of government, not only internationally, where plans and projects for some form of world government go back to at least the 17th century, but regionally as well. This study is concerned with the local or regional expression of integration, called federalism or federation.Clearly inspired, if not directly and immediately affected, by the example of the United States, the federal movement made headway in the 19th century, but it is largely since the end of the Second World War and the demise of colonialism, that its dimensions have grown. Although its success generally is rather doubtful—there appears to be a kind of empiric rule that the first fifteen are crucial—the retreat, so to speak, from particularism and attempts to advance to geographically broader units of government have persisted.
Self-Defence and Israel in International Law: A Reappraisal
Authors: Feinstein Barry 
Published: May 2019

Dean Acheson frankly reconfirmed the right of self-preservation, when he asserted, “…law simply does not deal with … questions of ultimate power—power that comes close to the sources of sovereignty…. No law can destroy the state creating the law. The survival of states is not a matter of law”. It is beyond the law.Given the existence of man's elementary loyalty to autonomous states, the necessity for using force springs from the need of states to depend fundamentally on self-help in order to guarantee their survival and welfare. This search for security in a system of politics without government, forces the state to be dependent upon military self-help.
Prevalence of overweight and obesity among adolescents in Bangladesh: do eating habits and physical activity have a gender differential effect?
Authors: Khan Md. Mostaured Ali , Karim Masud , Islam Ahmed Zohirul , Islam Md. Rafiqul , Khan Hafiz T. A. , Khalilullah Md. Ibrahim 
Published: May 2019

AbstractThe aim of this study was to examine the gender differential effects of eating habits and physical activity on overweight and obesity among school-aged adolescents in Bangladesh. Nationally representative data extracted from the 2014 Global School-based Student Health Survey (GSHS) were utilized. The survey collected information related to physical and mental health from 2989 school-aged adolescents in Bangladesh. An exploratory data analysis and multivariate logistic regression model were employed in this study. Female adolescents were at a lower risk of being overweight or obese (AOR=0.573) than males, with a prevalence of 7.4% (males: 9.9%). The results showed that high consumption of vegetables (both: AOR=0.454; males: AOR=0.504; females: AOR=0.432), high soft drink consumption (both: AOR=2.357; males: AOR=2.929; females: AOR=1.677), high fast food consumption (both: AOR=2.777; males: AOR=6.064; females: AOR=1.695), sleep disturbance (both: AOR=0.675; males: AOR=0.590; females: AOR=0.555) and regular walking or cycling to school (both: AOR=0.472; males: AOR=0.430; females: AOR=0.557) were vital influencing factors for being overweight or obese among adolescents for both sexes. Sedentary activities during leisure time were also identified as significant predictors of being overweight or obese for males. Regular fruit and vegetable consumption, the avoidance of soft drinks and fast food, an increase in vigorous physical activity, regular attendance at physical education classes and fewer sedentary leisure time activities could all help reduce the risk of being overweight or obese for both sexes.