bluuebunny/crossref_metadata_2025 huggingface dataset:
Spin‐Polarized Current, Spin‐Transfer Torque, and Spin Hall Effect in Presence of an Electromagnetic Non‐Minimal Coupling
Authors: Turcati Rodrigo , Quintero Carlos Andres Bonilla , Helayël‐Neto José Abdalla , Arias Enrique
Published: January 2020

To start, a fully relativistic description of a single electron non‐minimally coupled to an external electromagnetic field is provided. Making use of the field equation, the relativistic total angular momentum is attained, where the effect of the relativistic torque due to the external sources is also considered. Both the spin density and the orbital angular momentum tensors are identified in the relativistic‐covariant approach. Furthermore, the symmetric and gauge invariant energy‐momentum tensor is derived. To inspect the non‐relativistic regime, a perturbative expansion of the field equation is carried out, where spin‐orbit interaction terms emerge in the non‐relativistic Hamiltonian as a consequence of the non‐minimal coupling. Features related to the spin currents, the spin‐transfer torque and their dependence on both magnetic and electric external fields are then calculated and discussed. Considering that spin‐orbit coupled systems are of particular interest in the study of spin Hall effect, a two‐dimensional (planar) scenario of the system is contemplated, where the contributions to the Landau levels are re‐assessed. As a consequence, a peculiar sort of fractionalization of the spin‐up and ‐down components emerges with the different spin components localized in distinct positions.
Magnifying the Structural Components of Biomembranes: A Prototype for the Study of the Self‐Assembly of Giant Lipids
Authors: Yan Xiao‐Yun , Lin Zhiwei , Zhang Wei , Xu Hui , Guo Qing‐Yun , Liu Yuchu , Luo Jiancheng , Liu Xian‐You , Zhang Rongchun , Huang Jiahao , Liu Tong , Su Zebin , Zhang Ruimeng , Zhang Shuailin , Liu Tianbo , Cheng Stephen Z. D.
Published: January 2020

How biomembranes are self‐organized to perform their functions remains a pivotal issue in biological and chemical science. Understanding the self‐assembly principles of lipid‐like molecules hence becomes crucial. Herein, we report the mesostructural evolution of amphiphilic sphere‐rod conjugates (giant lipids), and study the roles of geometric parameters (head–tail ratio and cross‐sectional area) during this course. As a prototype system, giant lipids resemble natural lipidic molecules by capturing their essential features. The self‐assembly behavior of two categories of giant lipids (I‐shape and T‐shape, a total of 8 molecules) is demonstrated. A rich variety of mesostructures is constructed in solution state and their molecular packing models are rationally understood. Giant lipids recast the phase behavior of natural lipids to a certain degree and the abundant self‐assembled morphologies reveal distinct physiochemical behaviors when geometric parameters deviate from natural analogues.
Method for determining mixing index in microfluidics by RGB color model
Authors: Mahmud Fahizan , Tamrin Khairul Fikri
Published: January 2020

Microfluidic mixing is a key process in miniaturized analysis system. Achieving adequate mixing performance is considerably difficult in microfluidic micromixer, as the flow is always associated with unfavorable laminar flow and dominated by molecular diffusion. The mixing performance of these micromixers are generally characterized as a function of mixing index based on dispersion (homogeneity) information, leading to either an overestimated or underestimated mixing index. This paper presents a new method for determining the mixing index of micromixers based on RGB color model by decoding mixing images to their respective red, green, and blue pixel intensities. Several digital composite images were used to perform initial benchmarking, and the proposed method accurately quantified the mixing index significantly better than previously adopted methods. The practicality of the method was further demonstrated by characterizing mixing of well‐known micromixers, namely T‐ and Y‐ micromixers, at varying Reynolds numbers of 5 ≤ Re ≤ 100. The results show that the mixing index decreases with the increase in Reynolds number, whereas the mixing index of the T‐micromixer was superior to that of Y‐micromixer, both agreeing well with the literature. The mixing index of these micromixers at varying Reynolds numbers of 5 ≤ Re ≤ 100 calculated using other methods were also compared and discussed. The proposed method is foreseen handy and robust in characterizing mixing in real time for gradient mixing in networked microchannels and multivortex mixing for the manipulation of fluids, particles, and biological substances.
PDMS microfluidics: A mini review
Authors: Raj M Kiran , Chakraborty Suman
Published: January 2020

Polydimethylsiloxane (PDMS) is hailed as one of the foundational materials for microfluidics. Though a silicone‐based elastomer of many desirable properties, the emergence of microfluidic fabrication techniques, especially soft lithography, has elevated its status to an exceptional one. In this mini review, we look at the salient aspects that make PDMS so special in achieving such a coveted status in the microfluidics community. A methodical approach is followed to touch upon the application of PDMS in various aspects of microfluidics with the advantages, limitations, and some future directions. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48958.
How women have fared in the labour market with China's rise as a global economic power
Authors: Wang Limin , Klugman Jeni
Published: January 2020

Under a centrally planned system, China made significant achievements in gender equality. Half a century later, China has joined the ranks of upper‐middle‐income countries, and decades of rapid growth have accompanied major structural changes in the economy. We assess the evolution of women's economic opportunities during the period, focusing on labour force participation, occupational segregation, leadership in business, and the gender wage gap, as well as informal sector employment and migration. We undertake a review of existing research and conduct new empirical analysis using a combination of data sources, including four waves of Chinese population census data through 2010, and province‐level migration data. We focus especially on migrant women, a group typically excluded from similar studies. Although investments in human capital have advanced prospects for better‐paid jobs for women, we find that rapid economic growth has not alleviated discrimination against women rooted in cultural and social norms and that the implementation of existing laws designed to protect and support women needs to improve.
Circular bio‐based production systems in the context of current biomass and fossil demand
Authors: Bos Harriëtte L. , Broeze Jan
Published: January 2020

In this article we explore the quantitative challenges posed by the intended circular biobased economy. To do this, we present the relative sizes, in terms of mass and energy, of the agro‐food and fossil production system, and the interrelations in the system of transformation to food, feed, materials, and energy. We deduce that the flows in the fossil system are of a comparable magnitude to the agricultural / biomass production in terms of mass and energy. This implies that replacing a significant fraction of fossil‐derived products by biobased products will be a huge challenge. Solving this challenge will require both efficiency improvements and circular innovations. The analysis reveals major inefficiencies in the current system. In terms of mass, the pathways from agricultural production to food seem quite inefficient, on average less than 10%. This suggests space for efficiency improvement. The relatively low efficiency of livestock production confirms the relevance of diet change. Likewise, enhanced utilization of side streams appears significant. However, we show that in the current system of linear chains, such solutions are insufficient to provide an alternative to the current volume of fossil use. We argue that, next to biobased solutions, multifunctional use and recycling will be essential if we want to maintain current living standards and reduce dependence on fossil feedstock. We reflect on this consideration, and define four different cycles in the combined biomass / fossil system. These circles may be optimized and extended to improve the circularity of our carbon‐based production systems and to fight climate change. © The Authors. Biofuels, Bioproducts and Biorefining published by Society of Chemical Industry and John Wiley & Sons, Ltd.
Peptide Presentation to T Cells: Solving the Immunogenic Puzzle
Authors: Croft Nathan P.
Published: January 2020

The vertebrate immune system uses an impressive arsenal of mechanisms to combat harmful cellular states such as infection. One way is via cells delivering real‐time snapshots of their protein content to the cell surface in the form of short peptides. Specialized immune cells (T cells) sample these peptides and assess whether they are foreign, warranting an action such as destruction of the infected cell. The delivery of peptides to the cell surface is termed antigen processing and presentation, and decades of research have provided unprecedented understanding of this process. However, predicting the capacity for a given peptide to be immunogenic—to elicit a T cell response—has remained both enigmatic and a long sought‐after goal. In the era of big data, a point is being approached where the steps of antigen processing and presentation can be quantified and assessed against peptide immunogenicity in order to build predictive models. This review presents new findings in this area and contemplates challenges ahead.
Developing risk models for multicenter data using standard logistic regression produced suboptimal predictions: A simulation study
Authors: Falconieri Nora , Van Calster Ben , Timmerman Dirk , Wynants Laure
Published: January 2020

Although multicenter data are common, many prediction model studies ignore this during model development. The objective of this study is to evaluate the predictive performance of regression methods for developing clinical risk prediction models using multicenter data, and provide guidelines for practice. We compared the predictive performance of standard logistic regression, generalized estimating equations, random intercept logistic regression, and fixed effects logistic regression. First, we presented a case study on the diagnosis of ovarian cancer. Subsequently, a simulation study investigated the performance of the different models as a function of the amount of clustering, development sample size, distribution of center‐specific intercepts, the presence of a center‐predictor interaction, and the presence of a dependency between center effects and predictors. The results showed that when sample sizes were sufficiently large, conditional models yielded calibrated predictions, whereas marginal models yielded miscalibrated predictions. Small sample sizes led to overfitting and unreliable predictions. This miscalibration was worse with more heavily clustered data. Calibration of random intercept logistic regression was better than that of standard logistic regression even when center‐specific intercepts were not normally distributed, a center‐predictor interaction was present, center effects and predictors were dependent, or when the model was applied in a new center. Therefore, to make reliable predictions in a specific center, we recommend random intercept logistic regression.
Approaches for missing covariate data in logistic regression with MNAR sensitivity analyses
Authors: Ward Ralph C. , Axon Robert Neal , Gebregziabher Mulugeta
Published: January 2020

Data with missing covariate values but fully observed binary outcomes are an important subset of the missing data challenge. Common approaches are complete case analysis (CCA) and multiple imputation (MI). While CCA relies on missing completely at random (MCAR), MI usually relies on a missing at random (MAR) assumption to produce unbiased results. For MI involving logistic regression models, it is also important to consider several missing not at random (MNAR) conditions under which CCA is asymptotically unbiased and, as we show, MI is also valid in some cases. We use a data application and simulation study to compare the performance of several machine learning and parametric MI methods under a fully conditional specification framework (MI‐FCS). Our simulation includes five scenarios involving MCAR, MAR, and MNAR under predictable and nonpredictable conditions, where “predictable” indicates missingness is not associated with the outcome. We build on previous results in the literature to show MI and CCA can both produce unbiased results under more conditions than some analysts may realize. When both approaches were valid, we found that MI‐FCS was at least as good as CCA in terms of estimated bias and coverage, and was superior when missingness involved a categorical covariate. We also demonstrate how MNAR sensitivity analysis can build confidence that unbiased results were obtained, including under MNAR‐predictable, when CCA and MI are both valid. Since the missingness mechanism cannot be identified from observed data, investigators should compare results from MI and CCA when both are plausibly valid, followed by MNAR sensitivity analysis.
A simple method for correcting for the Will Rogers phenomenon with biometrical applications
Authors: Stander Mark , Stander Julian
Published: January 2020

In its basic form, the Will Rogers phenomenon takes place when an increase in the average value of each of two sets is achieved by moving an element from one set to another. This leads to the conclusion that there has been an improvement, when in fact essentially nothing has changed. Extended versions of this phenomenon can occur in epidemiological studies, rendering their results unreliable. After describing epidemiological and clinical studies that have been affected by the Will Rogers phenomenon, this paper presents a simple method to correct for it. The method involves introducing a transition matrix between the two sets and taking probability weighted expectations. Two real‐world biometrical examples, based on migration economics and breast cancer epidemiology, are given and improvements against a naïve analysis are demonstrated. In the cancer epidemiology example, we take account of estimation uncertainty. We also discuss briefly some limitations associated with our method.
Population size estimation with interval censored counts and external information: Prevalence of multiple sclerosis in Rome
Authors: Farcomeni Alessio
Published: January 2020

We discuss Bayesian log‐linear models for incomplete contingency tables with both missing and interval censored cells, with the aim of obtaining reliable population size estimates. We also discuss use of external information on the censoring probability, which may substantially reduce uncertainty. We show in simulation that information on lower bounds and external information can each improve the mean squared error of population size estimates, even when the external information is not completely accurate. We conclude with an original example on estimation of prevalence of multiple sclerosis in the metropolitan area of Rome, where five out of six lists have interval censored counts. External information comes from mortality rates of multiple sclerosis patients.
First‐derivative synchronous spectrofluorimetric method for estimation of losartan potassium and atorvastatin in their pure forms and in tablets
Authors: Attaa Bakr Norhane , Saad Samar , Elshabrawy Yasser , Eid Manal
Published: January 2020

Losartan potassium (LOS) and atorvastatin (ATR) are used in combination for long‐term treatment of stroke and for treatment of hypertension with high‐level cholesterol. Both drugs were simultaneously determined and validated using a novel, easy, fast, and economical first‐derivative synchronous fluorescence spectroscopic method. Methanol was used as the solvent for both drugs at a Δλ 80 nm and with a scanning rate of 600 nm/min. Peaks were determined as at 288.1 nm and 263.6 nm for LOS and ATR, respectively. The proposed method was validated according to International Conference on Harmonization guidelines and, subsequently, the developed method was applicable to the analysis of the two compounds in their different formulations without interference from each other. Amplitude–concentration plots were rectilinear over the concentration ranges 1.0–10.0 μg/ml and 0.5–5.0 μg/ml for LOS and ATR, respectively. Detection limits were found to be 0.096 μg/ml and 0.030 μg/ml and quantitation limits were 0.291 μg/ml and 0.093 μg/ml for LOS and ATR, respectively. The proposed method was successfully applied to the analysis of both compounds in synthetic mixtures and in laboratory‐prepared tablets. These results were in accordance with the results acquired using the comparison method, high‐performance liquid chromatography.
Microalgal swimming signatures and neutral lipids production across growth phases
Authors: You Jiaqi , Mallery Kevin , Mashek Douglas G. , Sanders Mark , Hong Jiarong , Hondzo Miki
Published: January 2020

Microalgae have been shown as a potential bioresource for food, biofuel, and pharmaceutical products. During the growth phases with corresponding environmental conditions, microalgae accumulate different amounts of various metabolites. We quantified the neutral lipids accumulation and analyzed the swimming signatures (speed and trajectories) of the motile green alga, Dunaliella primolecta, during the lag–exponential–stationary growth cycle at different nutrient concentrations. We discovered significant changes in the neutral lipid content and swimming signatures of microalgae across growth phases. The timing of the maximum swimming speed coincided with the maximum neutral lipid content and both maxima occurred under nutrient stress at the stationary growth phase. Furthermore, the swimming trajectories suggested statistically significant changes in swimming modes at the stationary growth phase when the maximum intracellular neutral lipid content was observed. Our results provide the potential exploitation of microalgal swimming signatures as possible indicators of the cultivation conditions and the timing of microalgal harvest to maximize the lipid yield for biofuel production. The findings can also be implemented to explore the production of food and antibiotics from other microalgal metabolites with low energy costs.
Harnessing mesenchymal stem cell secretome: Effect of extracellular matrices on proangiogenic signaling
Authors: Sears Victoria , Ghosh Gargi
Published: January 2020

The low engraftment and retention rate of mesenchymal stem cells (MSCs) at the target site indicates that the potential benefits of MSC‐based therapies can be attributed to their paracrine signaling. In this study, the extracellular matrices (ECMs) deposited by bone marrow‐derived human MSCs in the presence and absence of ascorbic acid was characterized. MSCs were seeded on top of decellularized ECM (dECM) and the concentrations of proangiogenic and antiangiogenic molecules released in culture (conditioned) media was compared. Effects of ECM derived from MSCs with different passage numbers on MSC secretome was also investigated. Our study revealed that the expression of proangiogenesis‐related factors were upregulated when MSCs were harvested on dECMs, irrespective of media supplementation, as compared with those cultured on tissue culture plates. In addition, dECM generated in the presence of ascorbic acid promoted the expression of proangiogenic molecules as compared with dECM‐derived in absence of media supplementation. Further, it was observed that the effectiveness of dECM to stimulate proangiogenic signaling of MSCs was reduced as cell passage number was increased from P3 to P5. The proliferation as well as capillary morphogenesis of human umbilical vein endothelial cells (HUVECs) in the presence of conditioned media were enhanced compared with the normal HUVECs culture media. These data indicate that the secretory signatures of MSCs and consequently, the therapeutic efficacy of MSCs can be regulated by presentation of dECM composition and variation of its composition.
High‐level heterologous production of propionate in engineered Escherichia coli
Authors: Miscevic Dragan , Mao Ju‐Yi , Moo‐Young Murray , Chou Chih‐Hsiung Perry
Published: January 2020

A propanologenic (i.e., 1‐propanol‐producing) bacterium Escherichia coli strain was previously derived by activating the genomic sleeping beauty mutase (Sbm) operon. The activated Sbm pathway branches out of the tricarboxylic acid (TCA) cycle at the succinyl‐CoA node to form propionyl‐CoA and its derived metabolites of 1‐propanol and propionate. In this study, we targeted several TCA cycle genes encoding enzymes near the succinyl‐CoA node for genetic manipulation to identify the individual contribution of the carbon flux into the Sbm pathway from the three TCA metabolic routes, that is, oxidative TCA cycle, reductive TCA branch, and glyoxylate shunt. For the control strain CPC‐Sbm, in which propionate biosynthesis occurred under relatively anaerobic conditions, the carbon flux into the Sbm pathway was primarily derived from the reductive TCA branch, and both succinate availability and the SucCD‐mediated interconversion of succinate/succinyl‐CoA were critical for such carbon flux redirection. Although the oxidative TCA cycle normally had a minimal contribution to the carbon flux redirection, the glyoxylate shunt could be an alternative and effective carbon flux contributor under aerobic conditions. With mechanistic understanding of such carbon flux redirection, metabolic strategies based on blocking the oxidative TCA cycle (via ∆sdhA mutation) and deregulating the glyoxylate shunt (via ∆iclR mutation) were developed to enhance the carbon flux redirection and therefore propionate biosynthesis, achieving a high propionate titer of 30.9 g/L with an overall propionate yield of 49.7% upon fed‐batch cultivation of the double mutant strain CPC‐Sbm∆sdhA∆iclR under aerobic conditions. The results also suggest that the Sbm pathway could be metabolically active under both aerobic and anaerobic conditions.
Influence of cytoskeleton organization on recombinant protein expression by CHO cells
Authors: Pourcel Lucille , Buron Flavien , Arib Ghislaine , Le Fourn Valérie , Regamey Alexandre , Bodenmann Iris , Girod Pierre‐Alain , Mermod Nicolas
Published: January 2020

In this study, we assessed the importance of cytoskeleton organization in the mammalian cells used to produce therapeutic proteins. Two cytoskeletal genes, Actin alpha cardiac muscle 1 (ACTC1) and a guanosine triphosphate GTPase‐activating protein (TAGAP), were found to be upregulated in highly productive therapeutic protein‐expressing Chinese hamster ovary (CHO) cells selected by the deprivation of vitamin B5. We report here that the overexpression of the ACTC1 protein was able to improve significantly recombinant therapeutic production, as well as to decrease the levels of toxic lactate metabolic by‐products. ACTC1 overexpression was accompanied by altered as well as decreased polymerized actin, which was associated with high protein production by CHO cell cultured in suspension. We suggest that the depolymerization of actin and the possible modulation of integrin signaling, as well as changes in basal metabolism, may be driving the increase of protein secretion by CHO cells.
Reduced scale model qualification of 5‐L and 250‐ml bioreactors using multivariant visualization and Bayesian inferential methods
Authors: Banton Dwaine , Canova Christopher , Clark Kevin , Naguib Sara , Schaefer Eugene
Published: January 2020

A novel method for the qualification of reduced scale models (RSMs) was illustrated using data from both a 250‐ml advanced microscale bioreactor (ambr) and a 5‐L bioreactor RSM for a 2,000‐L manufacturing scale process using a CHO cell line to produce a recombinant monoclonal antibody. The example study showed how the method was used to identify process performance attributes and product quality attributes that capture important aspects of the RSM qualification process. The method uses two novel statistical approaches: multivariate dimension reduction and data visualization techniques, via partial least squares discriminant analysis (PLS‐DA), and Bayesian multivariate linear modeling for inferential analysis. Bayesian multivariate linear modeling allows for individual probability distributions of the differences of the mean of each attribute for each scale, as well as joint probability statements on the differences of the means for multiple attributes. Depending on the results of this inferential procedure, PLS‐DA is used to identify the process performance outputs at the different scales which have the greatest negative impact on the multivariate Bayesian joint probabilities. Experience with that particular process can then be leveraged to adjust operating conditions to minimize these differences, and then equivalence can be reassessed using the multivariate linear model.
Tissue scaffolds functionalized with therapeutic elastin‐like biopolymer particles
Authors: Bulutoglu Beyza , Devalliere Julie , Deng Sarah L. , Acun Aylin , Kelangi Sarah S. , Uygun Basak E. , Yarmush Martin L.
Published: January 2020

Tissue engineering scaffolds are intended to provide mechanical and biological support for cells to migrate, engraft and ultimately regenerate the tissue. Development of scaffolds with sustained delivery of growth factors and chemokines would enhance the therapeutic benefits, especially in wound healing. In this study, we incorporated our previously designed therapeutic particles, composed of fusion of elastin‐like peptides (ELPs) as the drug delivery platform to keratinocyte growth factor (KGF), into a tissue scaffold, alloderm. The results demonstrated that sustained KGF–ELP release was achieved and the bioactivity of the released therapeutic particles was shown via cell proliferation assay, as well as a mouse pouch model in vivo, where higher cellular infiltration and vascularization were observed in scaffolds functionalized with KGF–ELPs.
A randomized trial of nurse‐administered behavioral interventions to manage anticipatory nausea and vomiting in chemotherapy
Authors: Hunter Jonathan J. , Maunder Robert G. , Sui Dawen , Esplen Mary Jane , Chaoul Alejandro , Fisch Michael J. , Bassett Roland L. , Harden‐Harrison Marlys M. , Lagrone Lore , Wong Lucas , Baez‐Diaz Luis , Cohen Lorenzo
Published: January 2020

Purpose

Chemotherapy side effects diminish quality of life and can lead to treatment delay. Nausea and vomiting can occur prior to chemotherapy because of classical conditioning. We studied the effects of 20‐minute behavioral interventions, administered by oncology nurses, of higher intensity (mindfulness relaxation—MR) or lower intensity (relaxing music—RM), on anticipatory nausea and vomiting (ANV).

Patients and methods

Patients undergoing chemotherapy for solid tumors were randomized to MR (N = 160), RM (N = 159), or standard care SC (N = 155). Subjects were mostly female (91.8%) and white (86.1%) with breast cancer (85%). Most patients had early stage disease (Stage I: 26%; II: 52.9%; III: 19%; IV: 0.1%). Anticipatory nausea and vomiting were assessed at the midpoint and end of the chemotherapy course using the Morrow Assessment of Nausea and Emesis (MANE).

Results

Compared to SC, there was reduced anticipatory nausea at the midpoint of chemotherapy in those receiving MR (OR 0.44, 95% CI 0.20‐0.93) and RM (OR 0.40, 95% CI 0.20‐0.93), controlling for age, sex, cancer stage, and emetogenic level of chemotherapy. There was no difference between treatment groups in anticipatory nausea at the end of chemotherapy or in anticipatory vomiting and postchemotherapy nausea and vomiting at either time point.

Conclusion

A brief nurse‐delivered behavioral intervention can reduce midpoint ANV associated with chemotherapy.
Extending the Salinilactone Family
Authors: Schlawis Christian , Harig Tim , Ehlers Stephanie , Guillen‐Matus Dulce G. , Creamer Kaitlin E. , Jensen Paul R. , Schulz Stefan
Published: January 2020

Five new members of the salinilactone family, salinilactones D–H, are reported. These bicyclic lactones are produced by Salinispora bacteria and display extended or shortened alkyl side chains relative to the recently reported salinilactones A–C. They were identified by GC/MS, gas chromatographic retention index, and comparison with synthetic samples. We further investigated the occurrence of salinilactones across six newly proposed Salinispora species to gain insight into how compound production varies among taxa. The growth‐inhibiting effect of this compound family on multiple biological systems including non‐Salinispora actinomycetes was analyzed. Additionally, we found strong evidence for significant cytotoxicity of the title compounds.
Platelet function testing guided antiplatelet therapy reduces cardiovascular events in Chinese patients with ST‐segment elevation myocardial infarction undergoing percutaneous coronary intervention: The PATROL study
Authors: You Jieyun , Li Hongda , Guo Wei , Li Jiming , Gao Liming , Wang Yunkai , Geng Liang , Wang Xingxu , Wan Qing , Zhang Qi
Published: January 2020

Background

Dual antiplatelet therapy (DAPT) with aspirin and a P2Y12 receptor inhibitor has become the standard of care to reduce thrombotic events in patients with acute coronary syndrome or after percutaneous coronary intervention (PCI). The role of routine platelet function testing (PFT) in patients treated with DAPT after PCI remains controversial and evidence of PFT‐guided antiplatelet therapy for patients with ST‐segment elevation myocardial infarction (STEMI) undergoing primary PCI is limited.

Methods

We analyzed 1,353 consecutive STEMI patients undergoing primary PCI. PFT was performed 72 hr postprocedure using a vasodilator‐stimulated phosphoprotein assay. The primary endpoint of major adverse cardio‐cerebral events (MACCEs) was defined as a composite of all‐cause death, cardiac death, nonfatal myocardial infarction, target vessel revascularization, and ischemic stroke. Patients with high platelet reactivity (HPR) were randomized to receive an intensified antiplatelet strategy by switching from clopidogrel to ticagrelor (HPR switch group) or to continue on clopidogrel (HPR nonswitch group). One‐year clinical outcomes were compared among the groups.

Results

The baseline clinical characteristics were comparable across all groups (all p > .05). At the 1‐year clinical follow‐up, the primary endpoint of MACCE was significantly higher in the HPR nonswitch group than in the non‐HPR and HPR switch groups (19.49% vs. 10.20% or 8.57%, p < .05), which was mainly caused by higher mortality (14.87% vs. 4.51% or 5.71%, p < .05). Major bleeding events were comparable across the groups.

Conclusions

In STEMI patients with HPR, identified by vasodilator stimulated phosphoprotein (VASP)‐determined PFT, switching clopidogrel to ticagrelor could significantly improve 1‐year clinical outcomes without increasing the risk of bleeding.
FeCoNi Ternary Spinel Oxides Nanosheets as High Performance Water Oxidation Electrocatalyst
Authors: Kong Qingquan , Bai Weijing , Bai Fangzheng , An Xuguang , Feng Wei , Zhou Fengling , Chen Qiuyue , Wang Qingyuan , Sun Chenghua
Published: January 2020

FeCoNi spinel oxides nanosheets array directly supported on the Ni foam substrate were prepared via a facile wet chemical method with 2‐methylimidazole as a structure directing agent and subsequently annealing. The as‐prepared 0.1Fe−CoNiO/NF offers high intrinsic catalytic activity, high surface area and good conductivity, resulting in enhanced activity for the oxygen evolution reaction (OER) in the alkaline solution. It demonstrates an ultralow overpotentials of 240 mV at 10 mA cm−2 and a small Tafel slope of 36.8 mV dec−1, with attractive durability during long‐term operation in 1 M KOH solution.
Anion Recognition by Neutral Chalcogen Bonding Receptors: Experimental and Theoretical Investigations
Authors: Navarro‐García Encarnación , Galmés Bartomeu , Velasco María D. , Frontera Antonio , Caballero Antonio
Published: January 2020

The utilization of neutral receptors for the molecular recognition of anions based on chalcogen bonding (ChB) is an undeveloped area of host‐guest chemistry. In this manuscript, the synthesis of two new families of sulfur, selenium, and tellurium‐based ChB binding motifs are reported. The stability of the thiophene, selenophene, and tellurophene binding motifs has enabled the determination of the association constants for ChB halide anion binding in the polar aprotic solvent THF by1H,77Se, and125Te NMR experiments. Two different aromatic cores are used and one or two Ch‐binding motifs are incorporated with the purpose of encapsulating the anion, offering up to two concurrent chalcogen bonds. Theoretical calculations and NMR experiments reveal that, for S and Se receptors, hydrogen‐bonding interactions involving the acidic H atom adjacent to the chalcogen atom are energetically favored over the ChB interaction. However, for the tellurophene binding motif, the σ‐hole interaction is competitive and more favored than the hydrogen bond.
Chemiluminescent Carbapenem‐Based Molecular Probe for Detection of Carbapenemase Activity in Live Bacteria
Authors: Das Sayantan , Ihssen Julian , Wick Lukas , Spitz Urs , Shabat Doron
Published: January 2020

Carbapenemase‐producing organisms (CPOs) pose a severe threat to antibacterial treatment due to the acquisition of antibiotic resistance. This resistance can be largely attributed to the antibiotic‐hydrolyzing enzymes that the bacteria produce. Current carbapenem “wonder drugs”, such as doripenem, ertapenem, meropenem, imipenem, and so on, are resistant to regular β‐lactamases, but susceptible to carbapenemases. Even worse, extended exposure of bacteria to these drugs accelerates the spread of resistance genes. In order to preserve the clinical efficacy of antibacterial treatment, carbapenem drugs should be carefully regulated and deployed only in cases of a CPO infection. Early diagnosis is therefore of paramount importance. Herein, we report the design, synthesis, and activity of the first carbapenemase‐sensitive chemiluminescent probe, CPCL, which may be used to monitor CPO activity. The design of our probe enables enzymatic cleavage of the carbapenem core, which is followed by a facile 1,8‐elimination process and the emission of green light through rapid chemical excitation. We have demonstrated the ability of the probe to detect a number of clinically relevant carbapenemases and the successful identification of CPO present in bacterial cultures, such as those used for clinical diagnosis. We believe that our use of “turn‐on” chemiluminescence activation will find significant application in future diagnostic assays and improve antibacterial treatment.
Reassessment of an Innovative Insulin Analogue Excludes Protracted Action yet Highlights the Distinction between External and Internal Diselenide Bridges
Authors: Dhayalan Balamurugan , Chen Yen‐Shan , Phillips Nelson B. , Swain Mamuni , Rege Nischay K. , Mirsalehi Ali , Jarosinski Mark , Ismail‐Beigi Faramarz , Metanis Norman , Weiss Michael A.
Published: January 2020

Long‐acting insulin analogues represent the most prescribed class of therapeutic proteins. An innovative design strategy was recently proposed: diselenide substitution of an external disulfide bridge. This approach exploited the distinctive physicochemical properties of selenocysteine (U). Relative to wild type (WT), Se‐insulin[C7UA, C7UB] was reported to be protected from proteolysis by insulin‐degrading enzyme (IDE), predicting prolonged activity. Because of this strategy's novelty and potential clinical importance, we sought to validate these findings and test their therapeutic utility in an animal model of diabetes mellitus. Surprisingly, the analogue did not exhibit enhanced stability, and its susceptibility to cleavage by either IDE or a canonical serine protease (glutamyl endopeptidase Glu‐C) was similar to WT. Moreover, the analogue's pharmacodynamic profile in rats was not prolonged relative to a rapid‐acting clinical analogue (insulin lispro). Although [C7UA, C7UB] does not confer protracted action, nonetheless its comparison to internal diselenide bridges promises to provide broad biophysical insight.
Room‐Temperature Solution‐Processed PbS Quantum Dot Solar Cells
Authors: Xue Yubin , Liu Shun‐Chang , Liu Xinsheng , Yang Yusi , Zhang Yimin , Xue Ding‐Jiang , Hu Jin‐Song
Published: January 2020

Summary of main observation and conclusion

Colloidal quantum dots (CQDs) are attractive absorber materials for high‐efficiency photovoltaics because of their facile solution processing, bandgap tunability due to quantum confinement effect, and multi‐exciton generation. To date, all published performance records for PbS CQDs solar cells have been based on the conventional hot‐injection synthesis method. This method usually requires relatively strict conditions such as high temperature and the utility of expensive source material (pyrophoric bis(trimethylsilyl) sulfide (TMS‐S)), limiting the potential for large‐scale and low‐cost synthesis of PbS CQDs. Here we report a facile room‐temperature synthetic method to produce high‐quality PbS CQDs through inexpensive ionic source materials including Pb(NO3)2 and Na2S in the presence of triethanolamine (TEA) as the stabilizing ligand. The PbS CQDs were successfully prepared with an average particle size of about 5 nm. Solar cells based on the as‐synthesized PbS CQDs show a preliminary power conversion efficiency of 1.82%. This room‐temperature and low‐cost synthesis of PbS CQDs will further benefit the development of solution‐processed CQD solar cells.
The state‐of‐the‐art in container technologies: Application, orchestration and security
Authors: Casalicchio Emiliano , Iannucci Stefano
Published: January 2020

Containerization is a lightweight virtualization technology enabling the deployment and execution of distributed applications on cloud, edge/fog, and Internet‐of‐Things platforms. Container technologies are evolving at the speed of light, and there are many open research challenges. In this paper, an extensive literature review is presented that identifies the challenges related to the adoption of container technologies in High Performance Computing, Big Data analytics, and geo‐distributed (Edge, Fog, Internet‐of‐Things) applications. From our study, it emerges that performance, orchestration, and cyber‐security are the main issues. For each challenge, the state‐of‐the‐art solutions are then analyzed. Performance is related to the assessment of the performance footprint of containers and comparison with the footprint of virtual machines and bare metal deployments, the monitoring, the performance prediction, the I/O throughput improvement. Orchestration is related to the selection, the deployment, and the dynamic control of the configuration of multi‐container packaged applications on distributed platforms. The focus of this work is on run‐time adaptation. Cyber‐security is about container isolation, confidentiality of containerized data, and network security. From the analysis of 97 papers, it came out that the state‐of‐the‐art is more mature in the area of performance evaluation and run‐time adaptation rather than in security solutions. However, the main unsolved challenges are I/O throughput optimization, performance prediction, multilayer monitoring, isolation, and data confidentiality (at rest and in transit).
Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?
Authors: Zhavoronkov Alex , Vanhaelen Quentin , Oprea Tudor I.
Published: January 2020

As the field of artificial intelligence and machine learning (AI/ML) for drug discovery is rapidly advancing, we address the question “What is the impact of recent AI/ML trends in the area of Clinical Pharmacology?” We address difficulties and AI/ML developments for target identification, their use in generative chemistry for small molecule drug discovery, and the potential role of AI/ML in clinical trial outcome evaluation. We briefly discuss current trends in the use of AI/ML in health care and the impact of AI/ML context of the daily practice of clinical pharmacologists.
Rational Construction of MnCo2O4.5 Deposited TiO2 Nanotube Array Heterostructures with Enhanced Photocatalytic Degradation of Tetracycline
Authors: Bi Yajun , Li Jiadong , Dong Changchang , Mu Wei , Han Xiaojun
Published: January 2020

A novel type of heterostructured photocatalyst, MnCo2O4.5 deposited TiO2 nanotube arrays (TNAs), was successfully synthesized via a two‐step anodization and chemical bath deposition method. The decoration of MnCo2O4.5 nanoparticles on anatase TNAs significantly enhances its photocatalytic degradation activity of tetracycline (TC). The optimized 140MnCo2O4.5/TiO2 nanotube arrays (140 M/TNA) catalyst exhibited the highest photocatalytic degradation of TC with an efficiency of 93.1 % after 2 h illumination. Meanwhile, the material showed good stability after a 5 cycle test. The mechanism of increased activity is attributed to the MnCo2O4.5/TiO2 heterostructure, which extends the response range to visible light and promotes electron–hole separation. Further radical capture experiment reveals that .O2− is vital as an active species for degrading TC in this system. The photocatalyst obtained via this rational synthesis strategy can effectively remove organic pollutants from waste water under visible light irradiation.
Identification of waxy cassava genotypes using fourier‐transform near‐infrared spectroscopy
Authors: do Carmo Cátia Dias , Bandeira e Sousa Massaine , Santos Pereira Jocilene dos , Ceballos Hernán , de Oliveira Eder Jorge
Published: January 2020

High‐throughput phenotyping tools that allow the early and accurate evaluation of important agronomic traits have gained space in current breeding programs. The aim of this study was to evaluate the potential of Fourier‐transform near‐infrared spectroscopy (FT‐NIRS) to identify cassava (Manihot esculenta Crantz) clones with waxy starch (i.e., amylose‐free) by screening leaves rather than roots, and to validate prediction models for classifying these phenotypes. We analyzed the spectra of 162 waxy and 180 nonwaxy genotypes from five different growing environments. The mean FT‐NIRS spectra and principal component analysis (PCA) were used to investigate the potential for grouping the data. For classification, five supervised pattern recognition techniques were tested: Bayesian generalized linear model (BGLM), high‐dimensional discriminant analysis (HDDA), partial least squares‐discriminant analysis (PLS‐DA), parallel random forest (PRANDF), and support vector machines with linear kernel (SVM). The mean spectra and the PCA did not allow discrimination of the genotypes based on starch classification. The SVM and BGLM showed the highest classification accuracy in cross‐validation (.86–.87), with higher concordance rates (.88–.83), sensitivity (.87–.85) and specificity (.88). The BGLM and SVM models also obtained better indices in the external validation, with high accuracy (.85) and correct classification of 93% of the waxy genotypes. Thus, performing early selection of root characteristics based on the indirect selection of variables extracted from leaf spectra is a good potential strategy for more efficient breeding of the waxy phenotype.
Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO2 Reduction
Authors: Garg Sahil , Li Mengran , Rufford Thomas E. , Ge Lei , Rudolph Victor , Knibbe Ruth , Konarova Muxina , Wang Geoff G. X.
Published: January 2020

Invited for this month′s cover is the group of Tom Rufford at the University of Queensland. The image shows how choline chloride and urea in a reline solution interact with the surface of a silver cathode to enhance the selectivity of electrochemical CO2 reduction to CO. The Full Paper itself is available at 10.1002/cssc.201902433.
Anodically Triggered Aldehyde Cation Autocatalysis for Alkylation of Heteroarenes
Authors: Liu Caiyan , Xiao Zihui , Wu Shuhua , Shen Yongli , Yuan Kedong , Ding Yi
Published: January 2020

Alkylation of heteroarenes by using aldehydes is a direct approach to increase molecular complexity, which however often involves the use of stochiometric oxidant, strong acid, and high temperature. This study concerns an energy‐efficient electrochemical alkylation of heteroarenes by using aldehydes under mild conditions without mediators. Interestingly, the graphite anode can trigger aldehyde cationic species, which act as the effective autocatalysts to react with a range of heteroarenes to produce the corresponding products with excellent regioselectivity and in high yields. Compared to the traditional electro‐synthesis approaches, this electro‐triggered reaction provides an electricity‐saving and eco‐friendly route to high‐value chemicals.
A simple, robust, and affordable bioluminescent assay for drug discovery against infective African trypanosomes
Authors: Benítez Diego , Dibello Estefania , Bonilla Mariana , Comini Marcelo A.
Published: January 2020

African trypanosomiasis is a major problem for human and animal health in endemic countries, where it threatens millions of people and affects economic development. New drugs are needed to overcome the toxicity, administration, low efficacy, and resistance issues of the current chemotherapy. Robust, simple, and economical high‐throughput, whole‐cell‐based assays are required to accelerate the identification of novel chemical entities. With this aim, we generated a bioluminescent cell line of the bloodstream stage of Trypanosoma brucei brucei and established a screening assay. Trypanosomes were stably transfected to constitutively express a thermostable red‐shifted luciferase. The growth phenotype and drug sensitivity of the reporter cell line were essentially identical to that of the parental cell line. The endogenous luciferase activity, measured by a simple bioluminescence assay, proved to be proportional to parasite number and metabolic status. The assay, optimized to detect highly potent compounds in a 96‐well‐plate format, was validated by screening a small compound library (inter‐assay values for Z' factor and coefficient variation were 0.77 and 5.8%, respectively). With a hit‐confirmation ratio of ~97%, the assay was potent enough to identify several hits with EC50 ≤ 10 μM. Preliminary tests indicated that the assay can be scaled up to a 384‐well‐plate format without compromising its robustness. In summary, we have generated reporter trypanosomes and a simple, robust, and affordable bioluminescence screening assay with great potential to speed up the early‐phase drug discovery against African trypanosomes.