bluuebunny/crossref_metadata_2025 huggingface dataset:
Survival analysis for AdVerse events with VarYing follow‐up times (SAVVY): Rationale and statistical concept of a meta‐analytic study
Authors: Stegherr Regina , Beyersmann Jan , Jehl Valentine , Rufibach Kaspar , Leverkus Friedhelm , Schmoor Claudia , Friede Tim
Published: November 2020

The assessment of safety is an important aspect of the evaluation of new therapies in clinical trials, with analyses of adverse events being an essential part of this. Standard methods for the analysis of adverse events such as the incidence proportion, that is the number of patients with a specific adverse event out of all patients in the treatment groups, do not account for both varying follow‐up times and competing risks. Alternative approaches such as the Aalen–Johansen estimator of the cumulative incidence function have been suggested. Theoretical arguments and numerical evaluations support the application of these more advanced methodology, but as yet there is to our knowledge only insufficient empirical evidence whether these methods would lead to different conclusions in safety evaluations. The Survival analysis for AdVerse events with VarYing follow‐up times (SAVVY) project strives to close this gap in evidence by conducting a meta‐analytical study to assess the impact of the methodology on the conclusion of the safety assessment empirically. Here we present the rationale and statistical concept of the empirical study conducted as part of the SAVVY project. The statistical methods are presented in unified notation, and examples of their implementation in R and SAS are provided.
Quality Control Testing, Characterization and Critical Quality Attributes of Adeno‐Associated Virus Vectors Used for Human Gene Therapy
Authors: Wright J. Fraser
Published: November 2020

For adeno‐associated virus (AAV)‐based human gene therapy, challenges for the translation of promising research results to successful clinical development include optimization of vector design and manufacturing processes to ensure that vectors prepared for administration to human subjects have attributes consistent with safe and durable expression. This article briefly reviews quality control methods for routine testing and supplemental characterization of AAV vectors for investigational product development. The relationship of vector and manufacturing process design with product critical quality attributes is discussed.
CFD–DEM modelling of biofilm streamer oscillations and their cohesive failure in fluid flow
Authors: Xia Yuqing , Jayathilake Pahala G. , Li Bowen , Zuliani Paolo , Chen Jinju
Published: November 2020

Biofilm streamer motion under different flow conditions is important for a wide range of industries. The existing work has largely focused on experimental characterisations of these streamers, which is often time‐consuming and expensive. To better understand the physics of biofilm streamer oscillation and their interactions in fluid flow, a computational fluid dynamics–discrete element method model has been developed. The model was used to study the flow‐induced oscillations and cohesive failure of single and multiple biofilm streamers. We have studied the effect of streamer length on the oscillation at varied flow rates. The predicted single biofilm streamer oscillations in various flow rates agreed well with experimental measurements. We have also investigated the effect of the spatial arrangement of streamers on interactions between two oscillating streamers in parallel and tandem arrangements. Furthermore, cohesive failure of streamers was studied in an accelerating fluid flow, which is important for slowing down biofilm‐induced clogging.
Survival trends and prognostic factors in patients with solitary plasmacytoma of bone: A population‐based study
Authors: Shen Xuxing , Liu Shu , Wu Chao , Wang Jing , Li Jianyong , Chen Lijuan
Published: November 2020

Solitary plasmacytoma of bone (SPB) is a single, isolated plasmacytoma originated from the bone. The survival trends of patients with SPB in recent years remain unknown. And the prognostic system of SPB may also need to be refined. The 18 Surveillance, Epidemiology, and End Results (SEER) databases of the National Cancer Institute in the United States were used to extract data for this study. The third edition of the International Classification of Disease for Oncology (ICD‐O‐3) code 9731 was used to identify cases of SPB. For each case, factors including age at the time of diagnosis, sex, race, marital status, insurance status, primary sites of tumors, and the use of surgery were collected. The outcomes of patients with SPB were compared between two groups. And the prognostic impacts of baseline characteristics and use of surgery was studied. A total of 4103 (from 1976 to 2016) cases of SPB were identified. The median age was 65 years old. Patients in time period‐2 (2008–2016) show better survival as compared to those in time period‐1(1976–2007) (median overall survival: 88 months vs. 73 months, p = 0.0332). Age ≤ 65 years and being male were associated with better outcomes. The widowed individuals had significantly inferior survival and myeloma‐specific survival than the single, married, or divorced individuals (p values all <0.0001). Patients with lesions in bones of skull and face and associated joints had longer survival as compared with those with bone lesions in other sites (median overall survival: 107 months vs. 79 months, p = 0.0694). The use of surgery was significantly associated with improved survival (median survival: surgery performed 98 months vs. not performed 73 months, hazards ratio [HR]: 0.7623, 95% CI: 0.7009–0.8472; p < 0.0001) and myeloma‐specific survival (median myeloma‐specific survival: surgery 160.0 months vs. no surgery 143.0 months, HR: 0.8469, 95% CI: 0.7493–0.9572; p = 0.0078). Multivariable analysis revealed that surgery, marital status, and age were independent prognostic factors for overall survival in patients with SPB. The improvement in the survival of patients with SPB has been observed in recent years. And several potential prognostic factors were identified. Future prospective studies are warranted to explore the roles of novel agents, surgery, and systemic chemotherapy in the treatment of SPB.
The Power of Chemists Is in What They Can Learn, Not What They Already Know
Authors: Buonomo Joseph A.
Published: November 2020

In this viewpoint, the concepts that chemistry transcends the laboratory into the clinic and beyond is explored from the perspective of a single individual who began strictly within synthetic chemistry. They learned through their training that in reality, chemists are capable of anything, requiring mentorship, open discussion, and some frontend work to learn something new.
On the Use of Side‐Chain NMR Relaxation Data to Derive Structural and Dynamical Information on Proteins: A Case Study Using Hen Lysozyme
Authors: Smith Lorna J. , van Gunsteren Wilfred F. , Hansen Niels
Published: November 2020

Values of
and
order parameters derived from NMR relaxation measurements on proteins cannot be used straightforwardly to determine protein structure because they cannot be related to a single protein structure, but are defined in terms of an average over a conformational ensemble. Molecular dynamics simulation can generate a conformational ensemble and thus can be used to restrain
and
order parameters towards experimentally derived target values
(exp) and
(exp). Application of
and
order‐parameter restraining MD simulation to bond vectors in 63 side chains of the protein hen egg white lysozyme using 51
(exp) target values and 28
(exp) target values shows that a conformational ensemble compatible with the experimentally derived data can be obtained by using this technique. It is observed that
order‐parameter restraining of C−H bonds in methyl groups is less reliable than
order‐parameter restraining because of the possibly less valid assumptions and approximations used to derive experimental
(exp) values from NMR relaxation measurements and the necessity to adopt the assumption of uniform rotational motion of methyl C−H bonds around their symmetry axis and of the independence of these motions from each other. The restrained simulations demonstrate that side chains on the protein surface are highly dynamic. Any hydrogen bonds they form and that appear in any of four different crystal structures, are fluctuating with short lifetimes in solution.
The Charged Linker Modulates the Conformations and Molecular Interactions of Hsp90
Authors: López Abraham , Elimelech Annika R. , Klimm Karolin , Sattler Michael
Published: November 2020

The molecular chaperone Hsp90 supports the functional activity of specific substrate proteins (clients). For client processing, the Hsp90 dimer undergoes a series of ATP‐driven conformational rearrangements. Flexible linkers connecting the three domains of Hsp90 are crucial to enable dynamic arrangements. The long charged linker connecting the N‐terminal (NTD) and middle (MD) domains exhibits additional functions in vitro and in vivo. The structural basis for these functions remains unclear. Here, we characterize the conformation and dynamics of the linker and NTD−MD domain interactions by NMR spectroscopy. Our results reveal two regions in the linker that are dynamic and exhibit secondary structure conformation. We show that these regions mediate transient interactions with strand β8 of the NTD. As a consequence, this strand detaches and exposes a hydrophobic surface patch, which enables binding to the p53 client. We propose that the charged linker plays an important regulatory role by coupling the Hsp90 NTD−MD arrangement with the accessibility of a client binding site on the NTD.
CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering**
Authors: Bracco Paula , Wijma Hein J. , Nicolai Bastian , Buitrago Jhon Alexander Rodriguez , Klünemann Thomas , Vila Agustina , Schrepfer Patrick , Blankenfeldt Wulf , Janssen Dick B. , Schallmey Anett
Published: November 2020

CYP154C5 from Nocardia farcinica is a P450 monooxygenase able to hydroxylate a range of steroids with high regio‐ and stereoselectivity at the 16α‐position. Using protein engineering and substrate modifications based on the crystal structure of CYP154C5, an altered regioselectivity of the enzyme in steroid hydroxylation had been achieved. Thus, conversion of progesterone by mutant CYP154C5 F92A resulted in formation of the corresponding 21‐hydroxylated product 11‐deoxycorticosterone in addition to 16α‐hydroxylation. Using MD simulation, this altered regioselectivity appeared to result from an alternative binding mode of the steroid in the active site of mutant F92A. MD simulation further suggested that the entrance of water to the active site caused higher uncoupling in this mutant. Moreover, exclusive 15α‐hydroxylation was observed for wild‐type CYP154C5 in the conversion of 5α‐androstan‐3‐one, lacking an oxy‐functional group at C17. Overall, our data give valuable insight into the structure–function relationship of this cytochrome P450 monooxygenase for steroid hydroxylation.
Peritoneal mesothelioma associated with bladder cancer and occupational exposure to asbestos: A case report
Authors: Brahim Dorra , Mechergui Najla , Ben Said Hanene , Cherif Dhouha , Ladhari Nizar , Youssef Imen
Published: November 2020

Mesothelioma is a rare tumor usually located on the pleura. In this typical location, it is closely linked to asbestos exposure. However, in other locations such as in peritoneal mesothelioma, the association to asbestos remains unusual.
Prediction and Tuning of the Defects in the Redox Catalysts: Ethylene Oxychlorination
Authors: Fenes Endre , Qi Yanying , Ma Hongfei , Zhu Jun , Wang Yalan , Rout Kumar R. , Fuglerud Terje , Piccinini Marco , Chen De
Published: November 2020

The defect plays a significant role in tuning the electronic structure of metal compounds such as oxides, chlorides, sulfides and nitrides, which is frequently used to explain the enhanced catalytic activity. However, the dynamic change of defect relating to the oxidation state change during the reaction is rarely addressed, and it is still not able to be appropriately predicted since the kinetic modeling of the redox reaction involving the in‐situ formation of defects is challenged by the dynamic evolution of the active sites and the complex kinetic phenomena. Here, for the first time, we present a general method to build a new kinetic model of the redox reaction cycle by combined kinetics of reduction‐ and oxidation steps to predict the time and spatially resolved formation of defects of solid catalysts and the reaction products in ethylene oxychlorination on CuCl2/Al2O3 catalyst. The defect concentration can be tuned by manipulating the relative rates of the reduction‐ and oxidation steps.
Metal‐organic frameworks‐derived novel nanostructured electrocatalysts for oxygen evolution reaction
Authors: Qin Xinyu , Kim Dongwon , Piao Yuanzhe
Published: November 2020

Engineering cost‐effective catalysts with exceptional performance for the electrochemical oxygen evolution reaction (OER) remains crucial for the accelerated development of renewable energy techniques, and especially so, given the pivotal role of OER in water electrolysis. On the basis of the metal nodes (clusters) and organic linkers, metal‐organic frameworks (MOFs) and their derivatives are rapidly gaining ground in the fabrication of electrocatalysts, with promising catalytic activity and sound durability in OER, thanks to their controllable pore structures, abundant unsaturated active sites of metal ion, extensive specific surface area, as well as easily functionalized/modified surfaces. This review presents an in‐depth understanding of the established progress of MOFs‐derived materials for OER electrocatalysis. The material designing strategies of the pristine, monometallic, and multimetallic MOFs‐based catalysts are summarized to indicate the infinite possibilities of the morphology and the composition of MOF‐derived materials. While emphasis is laid on the essential features of MOF‐derived materials for the electrocatalysis of the corresponding reactions, insights about the applications in OER are discussed. Finally, this paper is concluded by presenting challenges and perspectives for MOF‐derived materials’ future applications in OER electrocatalysis.
Metal–Organic Framework‐Encapsulated CoCu Nanoparticles for the Selective Transfer Hydrogenation of Nitrobenzaldehydes: Engineering Active Armor by the Half‐Way Injection Method
Authors: Li Yang , Li Yu‐Nong , Zheng Jian‐wei , Dong Xiao‐yun , Guo Rong‐xiu , Wang Yi‐ming , Hu Ze‐nan , Ai Yongjian , Liang Qionglin , Sun Hong‐bin
Published: November 2020

A novel armor‐type composite of metal–organic framework (MOF)‐encapsulated CoCu nanoparticles with a Fe3O4 core (Fe3O4@SiO2‐NH2‐CoCu@UiO‐66) has been designed and synthesized by the half‐way injection method, which successfully serves as an efficient and recyclable catalyst for the selective transfer hydrogenation. In this half‐way injection approach, the pre‐synthetic Fe3O4@SiO2‐NH2‐CoCu was injected into the UiO‐66 precursor solution halfway through the MOF budding period. The formed MOF armor could play a role of providing significant additional catalytic sites besides CoCu nanoparticles, protecting CoCu nanoparticles, and improving the catalyst stability, thus facilitating the selective transfer hydrogenation of nitrobenzaldehydes into corresponding nitrobenzyl alcohols in high selectivity (99 %) and conversion (99 %) rather than nitro group reduction products. Notably, this method achieves the precise assembly of a MOF‐encapsulated composite, and the ingenious combination of MOF and nanoparticles exhibits excellent catalytic performance in the selective hydrogen transfer reaction, implementing a “1+1>2” strategy in catalysis.
Chemical and Genetic Studies on the Formation of Pyrrolones During the Biosynthesis of Cytochalasans
Authors: Zhang Haili , Hantke Verena , Bruhnke Pia , Skellam Elizabeth J. , Cox Russell J.
Published: November 2020

A key step during the biosynthesis of cytochalasans is a proposed Knoevenagel condensation to form the pyrrolone core, enabling the subsequent 4+2 cycloaddition reaction that results in the characteristic octahydroisoindolone motif of all cytochalasans. In this work, we investigate the role of the highly conserved α,β‐hydrolase enzymes PyiE and ORFZ during the biosynthesis of pyrichalasin H and the ACE1 metabolite, respectively, using gene knockout and complementation techniques. Using synthetic aldehyde models we demonstrate that the Knoevenagel condensation proceeds spontaneously but results in the 1,3‐dihydro‐2H‐pyrrol‐2‐one tautomer, rather than the required 1,5‐dihydro‐2H‐pyrrol‐2‐one tautomer. Taken together our results suggest that the α,β‐hydrolase enzymes are essential for first ring cyclisation, but the precise nature of the intermediates remains to be determined.
Experimental methods in chemical engineering: Zeta potential
Authors: Lunardi Claure N. , Gomes Anderson J. , Rocha Fellipy S. , De Tommaso Jacopo , Patience Gregory S.
Published: November 2020

Zeta potential (ZP) is a parameter that expresses the electrochemical equilibrium between particles and liquids like in nanoparticle (NP) colloidal solutions with applications in medicine, pharmaceuticals, chemical production, mineral processing, and water and soil purification. Smoluchowski's theory applies to the ZP particles that are larger the interfacial layer but neglects surface conductivity. The Debye‐Hückel theory correctly approximates the concentration of ions in a double layer but fails to account for the dependence of ZP on the concentration of counterions. Determining ZP of NPs is essential to proper NP characterization. For instance, developing well‐defined therapeutic‐relevant nanoformulations needs information on NPs size, surface charge, stability and agglomeration behaviour. This approach has many practical challenges, from inadequate knowledge of operating standards to sampling, data interpretation and good laboratory practice for the experiments replicability. However, in drug delivery research, very little literature can provide a clear, succinct explanation of these techniques. Looking for specific guidelines to overcome frequently encountered problems during ZP measurements. This article explores factors influencing colloidal particle stability. Measurement criteria such as applied voltage, number of measurements, electrophoretic mobility (EPM), size distribution, surface shape, temperature, viscosity, particle concentration, zeta potential, nanoparticles, colloidal suspension, electrophoretic mobility, and pH.
Flexible Bayesian quantile curve fitting with shape restrictions under the Dirichlet process mixture of the generalized asymmetric Laplace distribution
Authors: Kobayashi Genya , Roh Taeyoung , Lee Jangwon , Choi Taeryon
Published: November 2020

We propose a flexible Bayesian semiparametric quantile regression model based on Dirichlet process mixtures of generalized asymmetric Laplace distributions for fitting curves with shape restrictions. The generalized asymmetric Laplace distribution exhibits more flexible tail behaviour than the frequently used asymmetric Laplace distribution in Bayesian quantile regression. In addition, nonparametric mixing over the shape and scale parameters with the Dirichlet process mixture extends its flexibility and improves the goodness of fit. By assuming the derivatives of the regression functions to be the squares of the Gaussian processes, our approach ensures that the resulting functions have shape restrictions such as monotonicity, convexity and concavity. The introduction of shape restrictions prevents overfitting and helps obtain smoother and more stable estimates of the quantile curves, especially in the tail quantiles for small and moderate sample sizes. Furthermore, the proposed shape‐restricted quantile semiparametric regression model deals with sparse estimation for regression coefficients using the horseshoe+ prior distribution, and it is extended to cases with group‐specific curve estimation and censored data. The usefulness of the proposed models is demonstrated using simulated datasets and real applications.
Germline genetic testing in breast cancer: Rationale for the testing of all women diagnosed by the age of 60 years and for risk‐based testing of those older than 60 years
Authors: Desai Neelam V. , Yadav Siddhartha , Batalini Felipe , Couch Fergus J. , Tung Nadine M.
Published: November 2020

Approximately 5% to 10% of women diagnosed with breast cancer will have a pathogenic variant (PV) in a hereditary cancer susceptibility gene, and this has significant implications for the management of these patients and their relatives. Despite the benefits of genetic testing, many eligible patients with breast cancer never undergo testing because of various barriers, including complicated testing criteria such as those from the National Comprehensive Cancer Network (NCCN). In 2019, the American Society of Breast Surgeons (ASBrS) proposed germline genetic testing for all patients with breast cancer to increase the identification of PV carriers. In 2020, a Mayo Clinic study highlighted the limitations of these 2 genetic testing guidelines (NCCN and ASBrS) and proposed a hybrid approach of testing all women diagnosed with breast cancer by the age of 65 years and using NCCN criteria for older patients. This commentary presents an updated analysis of the Mayo Clinic data and discusses the rationale for using the age of 60 years rather than 65 years as the cutoff for this hybrid approach. Using an age at diagnosis of ≤60 or ≤65 years for the universal testing of patients with breast cancer detected more PVs (11.9% [16 of 134] and 15.7% [21 of 134], respectively) in comparison with using the NCCN criteria. Lowering the age for universal testing from 65 to 60 years maintained the sensitivity of detecting a PV at >90% while sparing testing for an additional 10% of women. Compared with the testing of all patients, the hybrid approach would allow 31% of all women with breast cancer to forgo testing and result in fewer variants of uncertain significance identified and, therefore, would decrease the chance of harm from misinterpretation of these variants.
3D Silver Dendrites for Single‐molecule Imaging by Surface‐enhanced Raman Spectroscopy
Authors: Bandarenka Hanna V. , Khinevich Nadzeya V. , Burko Aliaksandr A. , Redko Sergey V. , Zavatski Siarhei A. , Shapel Uladzislau A. , Mamatkulov Kahramon Z. , Vorobyeva Maria Yu. , Arzumanyan Grigory M.
Published: November 2020

Discovery of surface‐enhanced Raman scattering (SERS) followed by evolution of optical systems and nanoengineering approaches has paved a path to detection of essential organic molecules on solid SERS‐active substrates from solutions at concentrations attributed to single‐molecule ones, i. e. below 10−15 M. However, in practical terms confident SERS‐imaging of single molecules is still quite a challenge. In present work, we fabricated and comprehensively characterized tightly‐packed 3D silver dendrites with prevalent chevron morphology that demonstrated ultrahigh sensitivity as SERS‐active substrates resulted in 10−18 M detection limit. Using these substrates we achieved SERS‐imaging of single 5‐thio‐2‐nitrobenzoic acid (TNB) molecule released from the attomolar‐concentrated solution of of 5,5′‐dithio‐bis‐[2‐nitrobenzoic acid] (DTNB), which is vital compound for chemical and biomedical analysis. In contrast to generally accepted belief about adsorption of only uniform monomolecular TNB layer on surface of silver nanostructures, we showed formation of a coating constituted by TNB layer and DTNB nanoclusters on the dendrites’ surface at 10−6–10−12 M DTNB concentrations confirmed by presence/absence of disulfide bonds signature in the SERS‐spectra and by scanning electron microscopy. DTNB concentrations below 10−14 M resulted in adsorption of TNB molecules in separated spots on the surface of silver nanostructures.
Corporate social responsibility, emotions, and consumer loyalty in the food retail context: Exploring the moderating effect of regional identity
Authors: Fernández‐Ferrín Pilar , Castro‐González Sandra , Bande Belén
Published: November 2020

Corporate social responsibility (CSR) is presently one of the most interesting topics in the field of consumer behavior. However, not enough is known about the underlying mechanisms that explain how and when consumer CSR perceptions shape consumer behaviors such as loyalty. The present study proposes and demonstrates that CSR positively influences consumer loyalty through two mediators (how), which are gratitude ‐an emotion‐ and commitment ‐an attitude‐; regional identity is also introduced for the first time as a moderator on those relationships (when). Two studies, based on two different consumer samples with reference to two different food retailers, are conducted to test these hypotheses. The results support the hypotheses and prove the mediation effects. Furthermore, they provide evidence of how consumers' regional identity moderates the model's indirect effects and they also reveal the conditional nature of these effects. This study's outcomes have theoretical contributions and implications for marketers.
Psychometric properties of threat‐related attentional bias in young children using eye‐tracking
Authors: Chong Lyndsey J. , Meyer Alexandria
Published: November 2020

Anxiety is one of the most common forms of child psychopathology associated with persistent impairment across the lifespan. Therefore, investigating mechanisms that underlie anxiety in early childhood may improve prevention and intervention efforts. Researchers have linked selective attention toward threat (i.e., attentional bias to threat) with the development of anxiety. However, previous work on attentional bias has used less reliable, reaction time (RT)‐based measures of attention. Additionally, few studies have used eye‐tracking to measure attentional bias in young children. In the present study, we investigated the psychometric properties of an eye‐tracking measure of attentional bias in a sample of young children between 6‐ and 9‐years‐old and explored if trait and clinical anxiety were related to attentional biases to threat. Results showed good psychometric properties for threat and neutral attentional biases, comparable to those found in adult eye‐tracking studies. Temperamental and clinical anxiety did not significantly relate to threat/neutral dwell time and attentional biases. The significance of these null findings was discussed in relation to existing developmental theories of attentional biases. Future studies should explore if temperamental or clinical anxiety prospectively predict threat attentional bias and the onset of anxiety in older children using a longitudinal design.
Filter feeding, deviations from bilateral symmetry, developmental noise, and heterochrony of hemichordate and cephalochordate gills
Authors: Larouche‐Bilodeau Charles , Guilbeault‐Mayers Xavier , Cameron Christopher B.
Published: November 2020

We measured gill slit fluctuating asymmetry (FA), a measure of developmental noise, in adults of three invertebrate deuterostomes with different feeding modes: the cephalochordateBranchiostoma floridae(an obligate filter feeder), the enteropneustsProtoglossus graveolens(a facultative filter feeder/deposit feeder) andSaccoglossus bromophenolosus(a deposit feeder). FA was substantially and significantly low inB. floridaeandP. graveolensand high inS. bromophenolosus. Our results suggest that the gills of species that have experienced a relaxation of the filter feeding trait exhibit elevated FA. We found that the timing of development of the secondary collagenous gill bars, compared to the primary gill bars, was highly variable inP. graveolensbut not the other two species, demonstrating an independence of gill FA from gill bar heterochrony. We also discovered the occasional ectopic expression of a second set of paired gills posterior to the first set of gills in the enteropneusts and that these were more common inS. bromophenolosus. Moreover, our finding that gill slits in enteropneusts exhibit bilateral symmetry suggests that the left‐sidedness of larval cephalochordate gills, and the directional asymmetry of Cambrian stylophoran echinoderm fossil gills, evolved independently from a bilaterally symmetrical ancestor.
Photoelectrocatalytic hydrogen production on ternary Co‐Pi/Ag/TiON nanotube array photocatalysts
Authors: Soliman Khaled A. , Mohamed Assem T. , Aljaber Amina S. , AlQaradawi Siham Y. , Allam Nageh K.
Published: November 2020

Ternary Co‐Pi‐Ag/TiON photocatalysts were designed and fabricated by a facile precipitation and electrochemical strategy. The results showed the superiority of the Co‐Pi‐Ag/TiON as a promising photoanode for photoelectrochemical water oxidation. In comparison with Co‐Pi‐Ag/TiO2, Ag/TiON, and Ag/TiO2 photoanodes, the Co‐Pi‐Ag/TiON showed a significant photocurrent density of 5.5 mA cm−2 at 1.0 V vs Ag/AgCl, which is 10‐fold that of bare TiO2. The extraordinary performance can be ascribed to the synergy between nitrogen doping, Co‐Pi functionalization, Ag loading, and the unique structural features of the synthesized photoelectrodes. This was further confirmed via the exceptionally high hydrogen generation rate of the Co‐Pi‐Ag/TiON ternary catalyst (54 μL h−1 cm−2), which is much higher than that reported for most of the TiO2‐based photocatalysts.
Sequential biofuel production from seaweeds enhances the energy recovery: A case study for biodiesel and bioethanol production
Authors: Elshobary Mostafa E. , El‐Shenody Rania A. , Abomohra Abd El‐Fatah
Published: November 2020

In the present study, eight seaweeds (five red, two brown and one green) were collected and evaluated for dual biodiesel and/or bioethanol production. The highest significant lipid and carbohydrate contents were recorded in the brown seaweed Dilophus fasciola (4.92 and 37.97%dw, respectively). Three routes were investigated, namely R1 and R2 for direct production of biodiesel and bioethanol, respectively, from the whole biomass, in addition to R3 representing the sequential biodiesel and bioethanol production. D. fasciola showed a biodiesel yield of 35.04 mg g−1 dw, composed mainly of C16‐C18 fatty acids with a high saturation degree. All biodiesel characteristics complied with the recommended values of international standards. The maximum reducing sugar content (37.2 g L−1) and bioethanol productivity at 72 hours (0.165 g L−1 h−1) were recorded in the lipid‐free biomass (R3), which were 16.3% and 27.9%, respectively, higher than that of R2. Therefore, a maximum estimated total energy output of 9.96 MJ kg−1 was recorded in R3, which represented 6‐times and 28.3% higher than R1 and R2, respectively.
Your Father's a Fighter; Your Daughter's a Vegetable: A Critical Analysis of the Use of Metaphor in Clinical Practice
Authors: Tate Tyler
Published: November 2020

There are two widespread beliefs about the use of metaphors in clinical medicine. The first is that military metaphors are harmful to patients and should be discouraged in medical practice. The second is that the metaphors of clinical practice can be judged by and standardized in reference to neutral criteria. In this article, I evaluate both these beliefs, exposing their shared flawed logic. This logic underwrites the false empiricist assumptions that metaphorical language and literal language are fundamentally distinct, play separate roles in communication, and therefore can be independently analyzed, systematized, and prescribed. Next, using the resources of ordinary language philosophy, I lay out a theoretical view of medical metaphors that is grounded in metaphor use within clinician‐patient relationships. Finally, drawing on the work of philosopher Max Black, I diagram a practical conceptual framework for clinicians to use when they consider whether a metaphor is appropriate for a specific patient encounter.
Exchange rate and volatility: A bibliometric review
Authors: Flores‐Sosa Martha , Avilés‐Ochoa Ezequiel , Merigó José M.
Published: November 2020

The exchange rate is one of the most important prices in open economies. Exchange rate volatility (ERV) has been studied in terms of its measurement, forecast and impact and relationship with other variables. This article proposes a bibliometric analysis of ERV compared with two databases Web of Science and Scopus. The number of data obtained reflects the importance of the topic in scientific research. In addition, we identify authors, institutions and countries of great influence studying currency volatility. The evolution of the study through time shows the increase in attention on the topic. VOS viewer software has been used to create graphic maps and visualize the connections existing in the study.
Integration of family planning services into health care for HIV‐positive women in Botswana
Authors: Hawkins Lois , Gertz Alida M. , Badubi Opelo , Sickboy Ontiretse , Mussa Aamirah , Maotwe Tshego , Whittaker Paul G. , Schreiber Courtney A. , Ramagola‐Masire Doreen , Morroni Chelsea
Published: November 2020

Objective

To create and assess a clinic model to address the unmet need for effective contraception among women living with HIV in Botswana, where half of all pregnancies are unintended and 30% of women of reproductive age are living with HIV.

Methods

We introduced family planning services into an HIV clinic in Gaborone, Botswana. Our intervention gave HIV providers brief training on contraceptive counseling plus the option of immediate referral of interested patients to an on‐site contraception provider. We administered a survey to patients and providers before and after intervention. Patients were female, aged 18–45 years and using antiretrovirals.

Results

At baseline, 6% of 141 patients discussed contraception with their HIV‐care provider, compared with 61% of 107 post intervention (P < 0.001). At baseline, 6% of patients reported wanting to use long‐acting reversible contraception (LARC). Post intervention, 45% of patients chose to meet with the contraception provider, and 29% wanted to use LARC (P < 0.001 versus baseline). All providers strongly agreed that they were better informed about contraception post intervention and were satisfied with their ability to counsel and refer women for contraception.

Conclusions

Provision of on‐site contraceptive services in this HIV clinic encouraged family planning discussions and increased interest in LARC.
A model electronic Hamiltonian to describe low‐lying d–d and metal‐to‐ligand charge‐transfer excited states of [Fe(bpy)3]2+
Authors: Iuchi Satoru , Koga Nobuaki
Published: November 2020

A simple practical method to compute both d–d and metal‐to‐ligand charge‐transfer (MLCT) excited states of iron(II) polypyridyl complexes is proposed for use in simulation studies. Specifically, a model electronic Hamiltonian developed previously for d–d excited states of [Fe(bpy)3]2+ is extended to deal with low‐lying MLCT excited states simultaneously by including the MLCT electronic configurations into the basis functions of the model Hamiltonian. As a first attempt, parameters in the model Hamiltonian matrix elements are determined by using density functional theory (DFT) and time‐dependent (TD‐)DFT calculation results as benchmarks. To examine the performance of the model Hamiltonian, the potential energy curves along the interpolation between the lowest singlet and quintet state structures are compared to those from the (TD‐)DFT calculations and to those from CASPT2 calculations in literature. The electronic absorption spectrum computed through molecular dynamics simulation is compared to the experimental spectrum. The spin‐orbit couplings at the ground state structure are also compared to those from wavefunction‐based ab initio electronic structure calculations. The results indicate that the constructed model Hamiltonian provides reasonable information on both the low‐lying d–d and MLCT excited states of [Fe(bpy)3]2+.
Artificial intelligence for the measurement of vocal stereotypy
Authors: Dufour Marie‐Michèle , Lanovaz Marc J. , Cardinal Patrick
Published: November 2020

Both researchers and practitioners often rely on direct observation to measure and monitor behavior. When these behaviors are too complex or numerous to be measured in vivo, relying on direct observation using human observers increases the amount of resources required to conduct research and to monitor the effects of interventions in practice. To address this issue, we conducted a proof of concept examining whether artificial intelligence could measure vocal stereotypy in individuals with autism. More specifically, we used an artificial neural network with over 1,500 minutes of audio data from 8 different individuals to train and test models to measure vocal stereotypy. Our results showed that the artificial neural network performed adequately (i.e., session‐by‐session correlation near or above .80 with a human observer) in measuring engagement in vocal stereotypy for 6 of 8 participants. Additional research is needed to further improve the generalizability of the approach.
PRDM1 decreases sensitivity of human NK cells to IL2-induced cell expansion by directly repressing CD25 (IL2RA)
Authors: Akman Burcu , Hu Xiaozhou , Liu Xuxiang , Hatipoğlu Tevfik , You Hua , Chan Wing C , Küçük Can
Published: November 2020

IL2 receptor signaling is crucial for human NK cell activation and gain of effector functions. The molecular mechanisms involved in termination of IL2 activation are largely unknown in human NK cells. PR/SET domain 1 was previously reported to decrease cell growth and increase apoptosis in an IL2-dependent manner in malignant NK cell lines, suggesting the possibility of down-regulation of IL2 signaling pathway gene(s) through direct transcriptional repression. Using ChIP-Seq, we identified a PRDM1 binding site on the first intron of CD25 (IL2RA), which codes for the IL2 receptor subunit regulating sensitivity to IL2 signaling, in primary NK cells activated with engineered K562 cells or IL2. Ectopic expression of PRDM1 down-regulated CD25 expression at transcript and protein levels in two PRDM1 nonexpressing NK cell lines. shRNA-mediated knockdown of CD25 in two malignant NK cell lines led to progressive depletion of NK cells in low IL2 concentrations. By contrast, ectopic CD25 expression in primary human NK cells led to progressive increase in cell number in CD25-transduced cells in low IL2 concentrations. Altogether these results reveal a pivotal role of PRDM1 in inhibition of IL2-induced NK cell expansion through direct repression of CD25 in activated human NK cells. These observations provide additional support for the role of PRDM1 in attenuation of NK cell activation and growth, with implications on neoplastic transformation or NK cell function when it is deregulated.
Manifestations of Quaternary syn‐eruptive fluid circulations on carbonate veins, Central Anatolian Volcanic Province
Authors: Karabacak Volkan , Mutlu Halim , Deniz Kiymet
Published: November 2020

In this study, we investigate the geochronological, geochemical and isotopic characteristics of two travertine sites surrounded by Quaternary eruption centres in central Anatolia with ample palaeo‐eruption records. High‐resolution carbonate precipitation records, revealed by U‐Th dating, are clustered around 5–35, 60–100 and 120–170 ka and are well correlated with the dataset on eruptions as well as the position of fractures related to the volcanic centres. Syn‐eruptive carbonate precipitation seems to occur due to the circulation of CO2‐rich fluids along the extensional fracture systems aligned tangentially to the related volcanic conduit and, therefore, the study of this system could be an alternative technique for the reconstruction of palaeo‐eruptions. δ18O values of the studied travertines are within the range of meteogene fluids. Oxygen isotope compositions at around 130 ka match well with Glacial Termination II that is also recorded by climate proxies in various cave and benthic deposits throughout the world. It is likely that the studied carbonates were precipitated under similar fluid circulation conditions which are represented by a high rate of dilatation followed by a meteoric water influx into the extensional fractures.
Sea buckthorn (Hippophae rhamnoides L.) fermentation liquid protects against alcoholic liver disease linked to regulation of liver metabolome and the abundance of gut microbiota
Authors: Ran Beibei , Guo Chang‐E , Li Weidong , Li Weishi , Wang Qing , Qian Jinxiu , Li Hailong
Published: November 2020

BACKGROUND

Alcoholic liver disease (ALD) refers to liver damage caused by long‐term heavy drinking, which causes oxidative stress and changes in gut microbiota. In this paper, we investigated the hepatoprotective effect of sea buckthorn fermentation liquid on ALD in mice and the interaction between ALD and gut microbiota using animal experiments and gut microbiota measurements.

RESULTS

We found that the contents of total flavonoids, total triterpenes and related short‐chain fatty acids (SCFAs) in sea buckthorn fermentation liquid (SFL) were significantly greater. Liver index, kidney index, spleen index, serum indexes of liver injury – alanine aminotransferase (ALT) and spartate aminotransferase (AST), inflammatory factors in liver tissues – tumor necrosis factor‐α (TNF‐α) and interleukin‐6 (IL‐6), oxidation indexes – malondialdehyde (MDA) and superoxide dismutase (SOD), and lipid metabolism indexes – high‐density liptein cholesterol (HDL‐C), low density lipoprotein cholesterol (LDL‐C), and triglyceride (TG), suggested that SFL significantly ameliorates liver injury caused by alcohol. By measuring gut microbiota in mice feces samples, we found that the high‐dose group of SFL reversed the declining trend of the gut microbiota Firmicutes/Bacteroidetes (F/B) ratio caused by alcohol, reducing the number of gram‐negative bacteroidetes. Patescibacteria was tightly connected with the indicators of ALD. At the genus level, high‐dose SFL significantly downregulated Akkermansia, Turicibacter, Alistipes and Ruminiclostridium, and improved the abundance of beneficial bacteria in Lactobacillus. In addition, Alistipes and Ruminiclostridium was closely connected with the indicators of ALD.

CONCLUSION

Sea buckthorn fermentation liquid protected against alcoholic liver disease and modulated the composition of gut microbiota. © 2020 Society of Chemical Industry
Poorly differentiated histologic grade correlates with worse survival in SMAD4 negative pancreatic adenocarcinoma patients
Authors: Park Joon Y. , King Jonathan , Reber Howard , Joe Hines Oscar , Mederos Michael A. , Wang Hanlin L. , Dawson David , Wainberg Zev , Donahue Timothy , Girgis Mark
Published: November 2020

Background and Objectives

This study investigated the influence of the transcription factor SMAD4 on overall patient survival following surgical resection of pancreatic ductal adenocarcinoma (PDAC).

Methods

The SMAD4 status of 125 surgically resected PDAC specimens at a large academic center from 2014 to 2017 was routinely determined prospectively and correlated with clinicopathologic characteristics and overall survival.

Results

SMAD4 loss was identified in 62% of patients and was not associated with overall survival (OS). On multivariate Cox proportional hazards survival analysis, histologic grade was the best predictor of survival in the SMAD4(−) population (adjusted hazard ratio = 4.8, p < .0001). In the SMAD4(+) population, histologic grade was not associated with survival on multivariate analysis. In the SMAD4(−) population, median OS for well/moderately differentiated patients and poorly differentiated patients was 39.6 and 8.6 months, respectively.

Conclusion

In this large cohort of resected PDAC, routine SMAD4 assessment identified a subpopulation of patients with SMAD4(−) and histologically poorly differentiated tumors that had significantly poor prognosis with median OS of 8.6 months. Characterization of the role of SMAD4 within the context of poorly differentiated tumors may help settle the controversy regarding SMAD4 in PDAC and lead to identification of personalized therapeutic strategies for subgroups of PDAC.
Outcomes of carcinoma ex pleomorphic adenoma compared to de novo adenocarcinoma of major salivary glands
Authors: Patel Evan J. , Oliver Jamie R. , Liu Cheng , Tam Moses , Givi Babak
Published: November 2020

Background and Objectives

Carcinoma ex pleomorphic adenoma (CXPA) is a rare disease of the major salivary glands that remains poorly characterized. Our objective was to compare the clinical outcomes of patients with CXPA of the major salivary glands to those with de novo adenocarcinomas.

Methods

Review of the NCDB between 2004 and 2016 to compare cases of CXPA and adenocarcinoma of major salivary glands. Demographics, clinical characteristics, and survival were analyzed.

Results

We identified 1181 patients with CXPA and 3326 patients with adenocarcinoma of major salivary glands. Adenocarcinomas presented with higher rates of nodal metastasis (54.7% vs. 30.4%, p < .001). Five‐year survival of adenocarcinoma (55.8%) was worse than that of CXPA (68.5%, p < .001). When stratified by nodal status, there was no significant difference in 5‐year survival between CXPA and adenocarcinoma node‐negative (75.3% vs. 71.6%, respectively) and node‐positive (40.4% vs. 36.1%, respectively) patients.

Conclusions

CXPAs of the major salivary glands present at an earlier stage with lower rates of regional metastasis compared to adenocarcinomas. After controlling for lymph node metastases, the outcomes are quite similar.
High‐Q Transparency Band in All‐Dielectric Metasurfaces Induced by a Quasi Bound State in the Continuum
Authors: Abujetas Diego R. , Barreda Ángela , Moreno Fernando , Litman Amelie , Geffrin Jean‐Michel , Sánchez‐Gil José A.
Published: November 2020

Bound states in the continuum (BICs) emerge throughout physics as leaky/resonant modes that remain, however, highly localized. They have attracted much attention in optics and photonics, and especially in metasurfaces, that is, planar arrays of sub‐wavelength meta‐atoms. One of their most outstanding features is the arbitrarily large Q‐factors they induce upon approaching the BIC condition, which is exploited here to achieve a narrow transparency band. It is first shown how to shift a canonical BIC in an all‐dielectric metasurface, consisting of high‐refractive disks exhibiting in‐ and out‐of‐plane magnetic dipole (MD) resonances, by tuning the periodicity of the array. By means of the coupled electric/magnetic dipole formulation, it is shown analytically that when the quasi‐BIC overlaps with the broad (in‐plane MD) resonance, a full transparency band emerges with diverging Q‐factor upon approaching the BIC condition in parameter space. Finally, the experimental measurements in the microwave regime with a large array of high‐refractive‐index disks confirm the theoretical predictions. The results reveal a simple mechanism to engineer an ultra‐narrow BIC‐induced transparency band that can be exploited throughout the electromagnetic spectrum with obvious applications in filtering and sensing.