bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metformin in the first trimester and risks for specific birth defects in the National Birth Defects Prevention Study
Authors: Dukhovny Stephanie , Van Bennekom Carla M. , Gagnon David R. , Hernandez Diaz Sonia , Parker Samantha E. , Anderka Marlene , Werler Martha M. , Mitchell Allen A. 
Published: February 2018

BackgroundWe assessed associations between first‐trimester metformin use for pregestational diabetes and specific major birth defects.MethodsWe compared risks associated with first‐trimester metformin use by diabetic women to nondiabetic women on no diabetes medication; we calculated crude odds ratios by exact logistic regression and adjusted by inverse probability weighting. Confounding by diabetes was assessed by comparing risks for metformin‐exposed diabetic women to those for insulin‐exposed diabetics and nondiabetics treated with metformin for subfertililty.ResultsAmong 9,279 nonmalformed controls and 24,375 malformed cases, diabetics who used metformin (with or without insulin) had increased adjusted odds ratios (aORs) for several birth defects associated with diabetes. However, women treated with metformin for subfertility had aORs similar to or lower than those for diabetic metformin users, and many approximated the null. For atrial septal defect secundum, anorectal defects, and limb reduction defects, the estimates for metformin when used for subfertility were 2–3‐fold.ConclusionWhile metformin use for diabetes was associated with an increased risk of many birth defects, when metformin was used for subfertility most defects had aORs that approximated the null, while only three defects had modestly increased aORs, two of which had lower confidence bounds that included the null. Our study does not suggest that metformin poses an appreciable risk for major birth defects, but further studies are necessary.
Responsive eLearning exercises to enhance student interaction with metabolic pathways
Authors: Roesler William J. , Dreaver‐Charles Kristine 
Published: February 2018

AbstractSuccessful learning of biochemistry requires students to engage with the material. In the past this often involved students writing out pathways by hand, and more recently directing students to online resources such as videos, songs, and animated slide presentations. However, even these latter resources do not really provide students an opportunity to engage with the material in an active fashion. As part of an online introductory metabolism course that was developed at our university, we created a series of twelve online interactive activities using Adobe Captivate 9. These activities targeted glycolysis, gluconeogenesis, the pentose phosphate pathway, glycogen metabolism, the citric acid cycle, and fatty acid oxidation. The interactive exercises consisted of two types. One involved dragging objects such as names of enzymes or allosteric modifiers to their correct drop locations such as a particular point in a metabolic pathway, a specific enzyme, and so forth. A second type involved clicking on objects, locations within a pathway, and so forth, in response to a particular question. In both types of exercises, students received feedback on their decisions in order to enhance learning. The student feedback received on these activities was very positive, and indicated that they found them to increase their confidence in the material and that they had learned the key principles of each pathway. © 2018 by The International Union of Biochemistry and Molecular Biology, 46(3):223–229, 2018.
Quantitative assessment of metal dysregulation in β‐thalassemia patients in comparison with healthy controls by ICP‐MS and chemometric analyses
Authors: Farooq Sabiha , Mazhar Wardah , Siddiqui Amna Jabbar , Ansari Saqib Hussain , Musharraf Syed Ghulam 
Published: February 2018

Abstractβ‐Thalassemia is one of the most common inherited disorders and is widely distributed throughout the world. Owing to severe deficiencies in red blood cell production, blood transfusion is required to correct anemia for normal growth and development but causes additional complications owing to iron overload. The aim of this study is to quantify the biometal dysregulations in β‐thalassemia patients as compared with healthy controls. A total of 17 elements were analyzed in serum samples of β‐thalassemia patients and healthy controls using ICP‐MS followed by chemometric analyses. Out of these analyzed elements, 14 showed a significant difference between healthy and disease groups at p < 0.05 and fold change >3. A PLS‐DA model revealed an excellent separation with 89.8% sensitivity and 97.2% specificity and the overall accuracy of the model was 92.2%. This metallomic study revealed that there is major difference in metallomic profiling of β‐thalassemia patients specifically in Co, Mn, Ni, V and Ba, whereas the fold changes in Co, Mn, V and Ba were found to be greater than that in Fe, providing evidence that, in addition to Fe, other metals are also altered significantly and therefore chelation therapy for other metals may also needed in β‐thalassemia patients.
Transcatheter versus surgical aortic valve replacement in patients at low surgical risk: A meta‐analysis of randomized trials and propensity score matched observational studies
Authors: Witberg Guy , Lador Adi , Yahav Dafna , Kornowski Ran 
Published: February 2018

AbstractBackgroundAlthough transcatheter aortic valve replacement (TAVR) is officially indicated for high risk aortic stenosis (AS) patients, the procedure is increasingly being performed in patients who are not at high surgical risk, including a substantial number of low risk patients. However, data on the benefit of TAVR in this patient population is limited.MethodsWe conducted a systematic review and meta‐analysis of randomized controlled trials (RCTs) and observational studies with propensity score matching (PSM) of TAVR versus surgical aortic valve replacement (SAVR) in patients who are at low surgical risk. The primary outcome was all‐cause mortality. The secondary outcomes included stroke, myocardial infarction, bleeding, and various procedural complications.ResultsSix studies (2 RCTs and 4 PSM studies) totaling 3,484 patients were included. Follow‐up ranged from 3 months to 3 years (median 2 years). The short‐term mortality was similar with either TAVR or SAVR (2.2% for TAVR and 2.6% for SAVR, RR 0.89, 95% CI 0.56–1.41, P = 0.62), however, TAVR was associated with increased risk for intermediate‐term mortality (17.2% for TAVR and 12.7% for SAVR, RR 1.45, 95% CI 1.11–1.89, P = 0.006). In terms of periprocedural complications, TAVR was associated with reduced risk for bleeding and renal failure and an increase in vascular complications and Pacemaker implantation.ConclusionsIn patients who are at low surgical risk, TAVR seems to be associated with increased mortality risk. Until more data in this population is available, SAVR should remain the treatment of choice for these patients.
Pasta color and viscoelasticity: Revisiting the role of particle size, ash, and protein content
Authors: Joubert Marianne , Morel Marie‐Hélène , Lullien‐Pellerin Valérie 
Published: February 2018

Background and objectivesAn original experimental approach allowing an unbiased estimate of the impact of three semolina factors (particle size distribution, protein, and ash contents) on durum wheat pasta quality was developed.FindingsBy different combinations of the milling fractions from five durum wheat batches displaying contrasted protein levels, 18 blends were obtained covering six levels of protein content (9.2%–13.5%), four levels of ash content (0.66%–1.15%), and three modes of particle size distributions (fine semolina or coarse semolina and mixes of flour and coarse semolina) with distinct median diameter and SPAN. Results showed that dry pasta color was mainly affected by the ash content increase. In addition, dry pasta brightness was also negatively impacted by the protein content. Cooked pasta viscoelastic index was only found positively impacted by semolina protein content but in a nonlinear dose–response relationship and clearly depends on the cooking time.ConclusionsPasta color can be optimized by managing the milling process to limit the presence of grain outer layers content in semolina, but pasta brightness and cooked pasta viscoelastic index were found specifically related to the protein content.Significance and noveltyThe sample set allowed testing the effect of one semolina trait keeping the two other constant and highlighted that beyond a protein content around 12%, no significant gain in pasta viscoelasticity was observed even in case of overcooking.
Bottom‐Up Design of Nitrogen‐Containing Carbon Catalysts for the Oxygen Reduction Reaction
Authors: Shibuya Riku , Kondo Takahiro , Nakamura Junji 
Published: February 2018

AbstractPyridinic nitrogen species on nitrogen‐doped carbon catalysts were recently found to create active sites for the oxygen reduction reaction (ORR). Bottom‐up assembly of pyridinic‐nitrogen‐containing aromatic molecules on graphitic carbon electrodes is a promising synthesis method to design ORR carbon catalysts with a high density of active sites. Herein, we report the preparation of a model catalyst by dropping a solution of dibenz[a,c]acridine (DA) molecules onto a highly oriented pyrolytic graphite (HOPG) surface. The DA molecules form a two‐dimensional ordered structure along the direction of the HOPG substrate by self‐organization. Adsorbed DA on the HOPG surface shows high ORR activity in terms of specific activity per pyridinic nitrogen and is comparable to that of pyridinic‐nitrogen‐doped carbon catalysts.
Spectral clustering in eye‐movement researches
Authors: Gere Attila , Kovács Sándor , Sipos László 
Published: February 2018

AbstractEye tracking is a widely used technology to capture the eye movements of participants completing different tasks. Several eye‐tracking parameters are measured, which later can be used to characterize the gazing pattern of the individuals. Clustering based on the path walked on by the participants may enable the researchers to create clusters based on the unconscious personality and thinking style. Common clustering methods generally are unable to handle path data; hence, new dynamic variables are needed. Spectral clustering can handle these types of data well. Spectral clustering handles clustering as a graph partitioning problem without making specific assumptions on the form of the clusters and uses eigenvectors of matrices derived from the data. This way, data are mapped to a low‐dimensional space, which can be easily clustered. Different food choice tasks were presented, and each of the 149 participants had to choose 1 product of the presented 4 and later from 8 alternatives. A new measure was introduced based on all 3 consecutive points from the fixations, and the areas of the triangles formed by these 3 points were computed. The new eye‐movement index captures the temporal variation and also considers the orientation of the fixation points. Spectral clustering resulted 5 balanced clusters defined by Dunn, Silhouette, and C‐indices. Results were compared to the most widely applied hierarchical and centroid‐based clustering (k‐means) methods. Spectral clustering achieved the best results in clustering indices and cluster sizes proved to be more balanced; hence, it outperforms the commonly used applied hierarchical and k‐means.
A novel ranking distance measure combining Cayley and Spearman footrule metrics
Authors: Sipos László , Gere Attila , Popp József , Kovács Sándor 
Published: February 2018

AbstractDefining the appropriate ranking distance measures among rankings is a classic area of study. The goal of our work is to identify a combination of methodologies, which is proven to be capable for the determination of a proper ranking system. In our study, we used 3 well‐established metrics: Kendall tau, Spearman footrule, and Cayley distance and a novel metric created by the combination of Cayley and Spearman footrule metrics. The results of the newly introduced metric depend on how fast we can trade a permutation of items to the reference permutation according to the Spearman footrule. On the other hand, the distance also depends on the number of cycles and the inversions in the cycle. Two case studies—chemometric data of phytonutrients of tomato varieties and sensometric data of orange juices—were used to test the performance of the studied ranking distance metrics. The properties of the new metric were compared to the traditional metrics regarding the normality of their distributions, significant number of differences between the rating objects, and the quality of the rankings. Results were validated by leave‐one‐out cross‐validation and significant differences by Wilcoxon matched pairs test.
Critical Impact of Peptidoglycan Precursor Amidation on the Activity of l,d‐Transpeptidases from Enterococcus faecium and Mycobacterium tuberculosis
Authors: Ngadjeua Flora , Braud Emmanuelle , Saidjalolov Saidbakhrom , Iannazzo Laura , Schnappinger Dirk , Ehrt Sabine , Hugonnet Jean‐Emmanuel , Mengin‐Lecreulx Dominique , Patin Delphine , Ethève‐Quelquejeu Mélanie , Fonvielle Matthieu , Arthur Michel 
Published: February 2018

AbstractThe bacterial cell wall peptidoglycan contains unusual l‐ and d‐amino acids assembled as branched peptides. Insight into the biosynthesis of the polymer has been hampered by limited access to substrates and to suitable polymerization assays. Here we report the full synthesis of the peptide stem of peptidoglycan precursors from two pathogenic bacteria, Enterococcus faecium and Mycobacterium tuberculosis, and the development of a sensitive post‐derivatization assay for their cross‐linking by l,d‐transpeptidases. Access to series of stem peptides showed that amidation of free carboxyl groups is essential for optimal enzyme activity, in particular the amidation of diaminopimelate (DAP) residues for the cross‐linking activity of the l,d‐transpeptidase LdtMt2 from M. tuberculosis. Accordingly, construction of a conditional mutant established the essential role of AsnB indicating that this DAP amidotransferase is an attractive target for the development of anti‐mycobacterial drugs.
Highly Functionalized β‐Cyclodextrins by Solid‐Supported Synthesis
Authors: Vurgun Nesrin , Nitz Mark 
Published: February 2018

AbstractUsing covalent capture, a high yielding selective mono‐functionalization of heptakis‐[6‐deoxy‐6‐(2‐aminoethylsulfanyl)]‐β‐CD with a 5‐mercaptopentyl functional group has been achieved. Here, we demonstrate the immobilization of the mono‐thiol functionalized β‐CD on PEGA resin via a disulfide bond, enabling solid‐phase elaboration of the remaining six primary amines. To showcase the potential of this method, the amines were elaborated to tripeptides through standard Fmoc‐peptide chemistry. A small library of CD‐tripeptide conjugates was generated which, when reduced from the solid support, could be tagged at the released thiol with an environmentally sensitive fluorophore. The resulting library of sensors showed potential for the differential sensing of various bile salts. The described methodology provides a rapid and versatile route to synthesize highly functionalized libraries of CD derivatives that may be tailored towards applications in sensing, catalysis, and multivalent displays.
Examining Reactions to Workplace Diversity: The Role of Dissimilarity–Attraction in Teams
Authors: Schaffer Bryan S. 
Published: February 2018

AbstractThis paper examines existing theory for understanding diversity in teams and offers propositions consistent with a unique dissimilarity–attraction framework. Prior relational demography research is examined and collective findings are used to purport this new direction for the field. Given current organizational and societal norms that emphasize a shift to a more proactive approach to diversity and inclusion, dissimilarity itself is suggested to signal positive cues for social identification and initial attraction among team members. The analyses may offer new approaches for framing hypotheses in relational demography research. Practical implications for management hinge on the notion that an understanding of these processes can have real and substantial impacts on team dynamics and associated competitive advantage. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd.
Efficacy and safety of rivaroxaban compared with warfarin in patients with carotid artery disease and nonvalvular atrial fibrillation: Insights from the ROCKET AF trial
Authors: Kochar Ajar , Hellkamp Anne S. , Lokhnygina Yuliya , Jones W. Schuyler , Becker Richard C. , Berkowitz Scott D. , Breithardt Günter , Fox Keith A.A. , Halperin Jonathan L. , Hankey Graeme J. , Mahaffey Kenneth W. , Nessel Christopher C. , Singer Daniel E. , Piccini Jonathan P. , Patel Manesh R. 
Published: February 2018

BackgroundAtrial fibrillation (AF) increases risk of stroke 5‐fold. Carotid artery disease (CD) also augments the risk of stroke, yet there are limited data about the interplay of these 2 diseases and clinical outcomes in patients with comorbid AF and CD.HypothesisAmong patients with both AF and CD, use of rivaroxaban when compared with warfarin is associated with a lower risk of stroke.MethodsThis post hoc analysis from ROCKET AF aimed to determine absolute rates of stroke/systemic embolism (SE) and bleeding, and the efficacy and safety of rivaroxaban compared with warfarin in patients with AF and CD (defined as history of carotid occlusive disease or carotid revascularization [endarterectomy and/or stenting]).ResultsA total of 593 (4.2%) patients had CD at enrollment. Patients with and without CD had similar rates of stroke or SE (adjusted hazard ratio [HR]: 0.99, 95% confidence interval [CI]: 0.66‐1.48, P = 0.96), and there was no difference in major or nonmajor clinically relevant bleeding (adjusted HR: 1.04, 95% CI: 0.88‐1.24, P = 0.62). The efficacy of rivaroxaban compared with warfarin for the prevention of stroke/SE was not statistically significant in patients with vs those without CD (interaction P = 0.25). The safety of rivaroxaban vs warfarin for major or nonmajor clinically relevant bleeding was similar in patients with and without CD (interaction P = 0.64).ConclusionsPatients with CD in ROCKET AF had similar risk of stroke/SE compared with patients without CD. Additionally, there was no interaction between CD and the treatment effect of rivaroxaban or warfarin for stroke prevention or safety endpoints.
1,3,5‐Triazino Peptide Derivatives: Synthesis, Characterization, and Preliminary Antileishmanial Activity
Authors: Khattab Sherine N. , Khalil Hosam H. , Bekhit Adnan A. , Abd El‐Rahman Mohamed M. , de la Torre Beatriz G. , El‐Faham Ayman , Albericio Fernando 
Published: February 2018

AbstractA library of short di‐, tri‐, and tetra‐peptides with an s‐triazine moiety at the N terminus and either an amide or ethyl ester C terminus was prepared in solution and on the solid phase. The two remaining positions of the s‐triazine moiety were substituted with methoxy, morpholino, or piperidino groups. All the synthesized peptide derivatives were analyzed by HPLC and fully characterized by IR spectroscopy, 1H and 13C NMR spectroscopy, elemental analysis, and mass spectrometry (MALDI TOF/TOF). A preliminary study of the antileishmanial activity of the 1,3,5‐triazinyl peptide derivatives revealed that four dipeptide amide derivatives showed higher antipromastigote or antiamastigote activity than the reference standard drug miltefosine with no significance acute toxicity.
Predictive elastic replication for multi‐tenant databases in the cloud
Authors: Sousa Flávio R. C. , Moreira Leonardo O. , Costa Filho José S. , Machado Javam C. 
Published: February 2018

SummaryCloud computing is a trend of technology aimed at providing on‐demand services with payment based on usage. In order to improve the use of resources, cloud providers adopt multi‐tenant approaches, reducing the operation cost of services. Moreover, tenants have irregular workload patterns, which impacts in guarantees of quality of service, mainly due to interference among tenants. This paper proposes PredRep, a predictive approach to characterize the cloud database system workload and automatically provide or reduce resources by replication techniques. In order to evaluate PredRep, some experiments that measure the quality of service and elasticity are presented. Our experiment results confirm that PredRep reduces cost and SLA violations.
Large Charge‐Transfer Energy in LiFePO4 Revealed by Full‐Multiplet Calculation for the Fe L3‐edge Soft X‐ray Emission Spectra
Authors: Asakura Daisuke , Nanba Yusuke , Makinose Yuki , Matsuda Hirofumi , Glans Per‐Anders , Guo Jinghua , Hosono Eiji 
Published: February 2018

AbstractWe analyzed the Fe 3d electronic structure in LiFePO4/FePO4 (LFP/FP) nanowire with a high cyclability by using soft X‐ray emission spectroscopy (XES) combined with configuration‐interaction full‐multiplet (CIFM) calculation. The ex situ Fe L2,3‐edge resonant XES (RXES) spectra for LFP and FP are ascribed to oxidation states of Fe2+ and Fe3+, respectively. CIFM calculations for Fe2+ and Fe3+ states reproduced the Fe L3 RXES spectra for LFP and FP, respectively. In the calculations for both states, the charge‐transfer energy was considerably larger than those for typical iron oxides, indicating very little electron transfer from the O 2p to Fe 3d orbitals and a weak hybridization on the Fe−O bond during the charge–discharge reactions.
Free‐Standing Hybrid Graphene Paper Encapsulating Nanostructures for High Cycle‐Life Supercapacitors
Authors: Jiao Xinyan , Hao Qingli , Xia Xifeng , Lei Wu , Ouyang Yu , Ye Haitao , Mandler Daniel 
Published: February 2018

AbstractThe incorporation of spacers between graphene sheets has been investigated as an effective method to improve the electrochemical performance of graphene papers (GPs) for supercapacitors. Here, we report the design of free‐standing GP@NiO and GP@Ni hybrid GPs in which NiO nanoclusters and Ni nanoparticles are encapsulated into graphene sheets through electrostatic assembly and subsequent vacuum filtration. The encapsulated NiO nanoclusters and Ni nanoparticles can mitigate the restacking of graphene sheets, providing sufficient spaces for high‐speed ion diffusion and electron transport. In addition, the spacers strongly bind to graphene sheets, which can efficiently improve the electrochemical stability. Therefore, at a current density of 0.5 A g−1, the GP@NiO and GP@Ni electrodes exhibit higher specific capacitances of 306.9 and 246.1 F g−1 than the GP electrode (185.7 F g−1). The GP@NiO and GP@Ni electrodes exhibit capacitance retention of 98.7 % and 95.6 % after 10000 cycles, demonstrating an outstanding cycling stability. Additionally, the GP@NiO∥GP@Ni delivers excellent cycling stability (93.7 % after 10 000 cycles) and high energy density. These free‐standing encapsulated hybrid GPs have great potential as electrode for high‐performance supercapacitors.
Zwitterionic Hydrobromic Acid Carriers for the Synthesis of 2‐Bromopropionic Acid from Lactide
Authors: Kehrer Matthias , Mehler Julian , Taccardi Nicola , Nagengast Jens , Kadar Julian , Collias Dimitris , Dziezok Peter , Wasserscheid Peter , Albert Jakob 
Published: February 2018

AbstractA convenient and highly efficient way of synthesizing 2‐bromopropionic acid (2‐BrPA) from lactide is presented. The procedure uses ionic liquids obtained from the addition of HBr to ammonium‐based zwitterions as the solvent and bromination agent. The buffered HBr acidity, high polarity, and charge stabilizing character of the ionic liquid (IL) enable the synthesis of 2‐BrPA with excellent selectivity. The best results are obtained with an imidazolium‐based IL, that is, 1‐(4‐butanesulfonic acid)‐3‐methylimidazolium bromide ([MIMBS]Br). The HBr loading and water content of the IL are crucial parameters for the bromination reaction. The formed 2‐BrPA product can be selectively isolated by extraction from the IL, and the unconverted substrate remains in the [MIMBS]Br IL for the next run. Successful recycling of the IL over four cycles is demonstrated.