bluuebunny/crossref_metadata_2025_split huggingface dataset:
Certified Quantum Computation in Isabelle/HOL
Authors: Bordg Anthony , Lachnitt Hanna , He Yijun 
Published: December 2020

AbstractIn this article we present an ongoing effort to formalise quantum algorithms and results in quantum information theory using the proof assistant Isabelle/HOL. Formal methods being critical for the safety and security of algorithms and protocols, we foresee their widespread use for quantum computing in the future. We have developed a large library for quantum computing in Isabelle based on a matrix representation for quantum circuits, successfully formalising the no-cloning theorem, quantum teleportation, Deutsch’s algorithm, the Deutsch–Jozsa algorithm and the quantum Prisoner’s Dilemma. We discuss the design choices made and report on an outcome of our work in the field of quantum game theory.
Applying global best practices for estimating unreported catches in Norwegian fisheries under a discard ban
Authors: Clegg Thomas L. , Kennelly Steven J. , Blom Geir , Nedreaas Kjell 
Published: December 2020

AbstractIn addition to their role as a fisheries management tool, discard bans can be effective in improving knowledge of total catches via the requirement to land and report all catches. This shifts the focus to understanding the scale of unreported catches in fisheries, rather than only on discards. However, the presence of a discard ban can cause problems with estimation process, as it involves the observation of illegal activities, and the complex sources of unreported catches require a different approach to estimation. The Norwegian discard ban was introduced in 1987 as part of a wider suite of regulatory measures to improve exploitation patterns in commercial fisheries, but a framework for the regular estimation of unreported catches has yet to be established and operationalised. Here, we aim to identify global best practices for estimating unreported catches under a discard ban and assess their applicability to Norwegian fisheries. We approach this in three steps: (1) defining the scope of an estimation, (2) data collection, and (3) the actual procedure for estimation. We discuss how each step can affect the quality of an estimate with regards to accuracy, precision, practical limitations and whether the estimate is fit for purpose. Finally, we provide a list of recommendations for future studies and identify key knowledge gaps and limitations regarding their application to Norwegian fisheries.
Characterization and antidiabetic activity of salicylhydrazone Schiff base vanadium(IV) and (V) complexes
Authors: Szklarzewicz Janusz , Jurowska Anna , Hodorowicz Maciej , Kazek Grzegorz , Mordyl Barbara , Menaszek Elżbieta , Sapa Jacek 
Published: December 2020

AbstractTwenty-four oxidovanadium(IV,V) complexes with tridentate Schiff base ligands based on 5-nitrosalicylaldehyde, 5-methoxysalicylaldehyde, or 5-sulfosalicylaldehyde and respective hydrazide were isolated, and characterized using physicochemical and spectroscopic methods. Three of them were structurally characterized by single-crystal X-ray structure determination. The biological activity studies included inhibition of human tyrosine phosphatases, studies on myocyte C2C12, adipocyte 3T3-L1, and human hepatocyte HepG2 cell lines, glucose uptake in myocytes and adipocytes, and cytotoxicity tests. The complexes that were unstable in solutions showed biological activity typical of other V(IV) complexes, while the stable one showed much higher, ligand-dependent, activity.
Boundary Friction of ZDDP Tribofilms
Authors: Zhang Jie , Ueda Mao , Campen Sophie , Spikes Hugh 
Published: December 2020

AbstractThe frictional properties of ZDDP tribofilms at low entrainment speeds in boundary lubrication conditions have been studied in both rolling/sliding and pure sliding contacts. It has been found that the boundary friction coefficients of these tribofilms depend on the alkyl structure of the ZDDPs. For primary ZDDPs, those with linear alkyl chains give lower friction those with branched alkyl chain ZDDPs, and a cyclohexylmethyl-based ZDDP gives markedly higher friction than non-cyclic ones. Depending on alkyl structure, boundary friction coefficient in rolling-sliding conditions can range from 0.09 to 0.14. These differences persist over long duration tests lasting up to 120 h. For secondary ZDDPs, boundary friction appears to depend less strongly on alkyl structure and in rolling-sliding conditions stabilises at ca 0.115 for the three ZDDPs studied. Experiments in which the ZDDP-containing lubricant is changed after tribofilm formation by a different ZDDP solution or a base oil indicate that the characteristic friction of the initial ZDDP tribofilm is lost almost as soon as rubbing commences in the new lubricant. The boundary friction rapidly stabilises at the characteristic boundary friction of the replacement ZDDP, or in the case of base oil, a value of ca 0.115 which is believed to represent the shear strength of the bare polyphosphate surface. The single exception is when a solution containing a cyclohexylethyl-based ZDDP is replaced by base oil, where the boundary friction coefficient remains at the high value characteristic of this ZDDP despite the fact that rubbing in base oil removes about 20 nm of the tribofilm. XPS analysis of the residual tribofilm reveals that this originates from presence of a considerable proportion of C-O bonds at the exposed tribofilm surface, indicating that not all of the alkoxy groups are lost from the polyphosphate during tribofilm formation. Very slow speed rubbing tests at low temperature show that the ZDDP solutions give boundary friction values that vary with alkyl group structure in a similar fashion to rolling-sliding MTM tests. These variations in friction occur immediately on rubbing, before any measurable tribofilm can develop. This study suggest that ZDDPs control boundary friction by adsorbing on rubbing steel or tribofilm surfaces in a fashion similar to organic friction modifiers. However it is believed that, for primary ZDDPs, residual alkoxy groups still chemically bonded to the phosphorus atoms of newly-formed polyphosphate/phosphate tribofilm may also contribute to boundary friction. This understanding will contribute to the design of low friction, fuel efficient crankcase engine oils.
Graphical Abstract
COVID-19-positive cancer patients undergoing active anticancer treatment
Authors: Ali Jamshed , Sajjad Kashif , Farooqi Amer Rehman , Aziz Muhammad Tahir , Rahat Ayesha , Khan Sarah 
Published: December 2020

Background:
Cancer patients, particularly those on active anticancer treatment, are reportedly at a high risk of severe coronavirus disease 2019 (COVID-19) infection and death. This study aimed to describe the clinical characteristics and outcomes of patients diagnosed with COVID- 19 whilst on anticancer treatment in a developing country.

Methods:
This is a retrospective observational study of all adult cancer patients at Shaukat Khanum Memorial Cancer Hospital and Research Centre, Pakistan, from March 15, 2020 to July 10, 2020, diagnosed with COVID-19 within 4 weeks of receiving anticancer treatment, where a purposive sampling was performed. Cancer patients who did not receive anticancer treatment and clinical or radiological diagnosis of COVID-19 without a positive reverse transcription–poly merase chain reaction (RT-PCR) test were excluded. The primary endpoint was all-cause mortality after 30 days of COVID-19 test. Data was analyzed with SPSS version 23 (SPSS Inc., Chicago, IL, USA). Categorical parameters were computed using chi-square test, keeping p value < 0.05 as significant.

Results:
A total of 201 cancer patients with COVID-19 were analyzed. The median age of patients was 45 (18–78) years. Mild symptoms were present in 162 (80.6%) patients, whereas severe symptoms were present in 39 (19.4%) patients. The risk of death was statistically significant (p < .05) amongst patients with age greater than 50 years, metastatic disease, and ongoing palliative anticancer treatment. Anticancer treatment (chemotherapy, radiotherapy, hormonal therapy, targeted therapy, and surgery) received within preceding 4 weeks had no statistically significant (p > .05) impact on mortality.

Conclusions:
In cancer patients with COVID-19, mortality appears to be principally driven by age, advanced stage of the disease, and palliative intent of cancer treatment. We did not identify evidence that cancer patients on chemotherapy are at significant risk of mortality from COVID-19 correlating to those not on chemotherapy.
Past, Present, and Future Pacific Sea‐Level Change
Authors: Hamlington B. D. , Frederikse T. , Thompson P. R. , Willis J. K. , Nerem R. S. , Fasullo J. T. 
Published: December 2020

AbstractSatellite altimeters have provided near‐global coverage of the ocean with a continuous record now approaching 3 decades. These observations have led to definitive evidence of an increase in global mean sea‐level, while offering a depiction of the spatial variability in sea‐level change. As a result of the increasing length of the altimeter record, studies have sought to understand and detect the emergence of a forced or anthropogenic response in sea‐level. The central idea behind these studies is that the altimeter record is now long enough that the influence of interannual to decadal variability is reduced and does not obscure underlying regional trends in the way that it did for the early part of the altimeter record. Two locations—the western tropical Pacific and the northeastern Pacific off the west coast of the United States—are noteworthy for their sea‐level variations during the altimeter era, exhibiting large departures from the global average albeit in opposite directions. In this study, we examine satellite altimeter‐measured sea‐level in these two regions. The goals are to understand the evolution of the sea‐level trend, and determine what can be inferred about future sea‐level change from the satellite altimeter record. We find that in the two locations considered here the altimetry record is still too short to rule out natural variability contributions to the trend on the order of 1 mm/yr. Using longer records from tide‐gauge observations and models, an assessment of the potential future changes in both regions is made for both regions.
Complex Networks Reveal Heatwave Patterns and Propagations Over the USA
Authors: Mondal Somnath , Mishra Ashok Kumar 
Published: December 2020

AbstractQuantifying the dynamical linkage, co‐evolution, and propagation of regional heatwaves is essential to minimize socio‐economic losses. Here, we investigate such network structure and propagation characteristics for warm period (May–September) heatwaves over Conterminous United States using a complex network approach based on daily maximum temperature. The concept of Event Synchronization (ES) is applied to identify the source and sink regions primarily responsible for heatwave propagations and the strength of association between these regions. The network coefficients are derived to evaluate the extremal dependence, co‐evolution, and spatial propagation of large scale heatwavc events. The topology and propagation of heatwaves are influenced by the spatial distribution of the zonal and meridional air mass transport. Furthermore, we demonstrated the application of ES metrics and the network coefficients for heatwave days prediction between source and sink regions with true positive rate of 63% at a lead time of 2 days.
Simultaneous Measurements of O3 and HCOOH Vertical Fluxes Indicate Rapid In‐Canopy Terpene Chemistry Enhances O3 Removal Over Mixed Temperate Forests
Authors: Vermeuel Michael P. , Cleary Patricia A. , Desai Ankur R. , Bertram Timothy H. 
Published: December 2020

AbstractDry deposition, the second largest removal process of ozone (O3) in the troposphere, plays a role in controlling the natural variability of surface O3 concentrations. Terrestrial ecosystems remove O3 either through stomatal uptake or nonstomatal processes. In chemical transport models, nonstomatal pathways are roughly constrained and may not correctly capture total O3 loss. To address this, the first simultaneous eddy covariance measurements of O3 and formic acid (HCOOH), a tracer of in‐canopy oxidation of biogenic terpenes, were made in a mixed temperate forest in Northern Wisconsin. Daytime maximum O3 deposition velocities, vd (O3), ranged between 0.5 and 1.2 cm s−1. Comparison of observed vd (O3) with observationally constrained estimates of stomatal uptake and parameterized estimates of cuticular and soil uptake reveal a large (10%–90%) residual nonstomatal contribution to vd (O3). The residual downward flux of O3 was well correlated with measurements of HCOOH upward flux, suggesting unaccounted for in‐canopy gas‐phase chemistry.
A Two‐Layer Turbulence‐Based Model to Predict Suspended Sediment Concentration in Flows With Aquatic Vegetation
Authors: Tseng Chien‐Yung , Tinoco Rafael O. 
Published: December 2020

AbstractTraditional bed shear stress‐based models (e.g., Rouse model) derived from the classic parabolic profile of eddy viscosity in open‐channel flows fail to accurately predict suspended sediment concentration (SSC) in flows with aquatic vegetation. We developed a two‐layer, turbulence‐based model to predict SSC profiles in emergent vegetated flows. Turbulence generated from vegetation, bed, and coherent structures caused by stem‐bed‐flow interaction are considered into the near‐bed turbulent kinetic energy (TKE) to calculate the effective bed shear velocity, . The model, validated by experimental data, further showed that the thickness height of the near‐bed layer (effective bottom boundary layer), Hb, varies with flow velocity and canopy density. Two additional models are provided to estimate Hb and . The model is expected to provide critical information to future studies on sediment transport, landscape evolution, and water quality management in vegetated streams, wetlands, and estuaries.
Late Oligocene Tectonic Uplift of the East Kunlun Shan: Expansion of the Northeastern Tibetan Plateau
Authors: Li Chaopeng , Zheng Dewen , Zhou Renjie , Yu Jingxing , Wang Yizhou , Pang Jianzhang , Wang Ying , Hao Yuqi , Li Youjuan 
Published: December 2020

AbstractSpatial and temporal patterns of mountain building in the northeastern Tibetan Plateau provide important constraints on competing plateau growth models. We focus on the East Kunlun Shan (EKLS), where the timing of Cenozoic deformation remains controversial. Seven apatite (U‐Th)/He samples were collected around a tilted erosion surface in the middle segment of the EKLS. A break in slope at ∼25 Ma is identified along the paleodepth below the erosion surface, which we interpret to represent the onset of thrust faulting at northern margins of the EKLS. Published thermochronologic data from the South Qilian Shan and North Qilian Shan reveal tectonic uplift at 15–18 and 8–10 Ma, respectively, obviously later than thrust faulting in the EKLS. Our study supports that the northeastern margin of the Tibetan Plateau has migrated from the EKLS to North Qilian Shan since the late Oligocene.
Hemispheric Impact of North Atlantic SSTs in Subseasonal Forecasts
Authors: Roberts C. D. , Vitart F. , Balmaseda M. A. 
Published: December 2020

AbstractCoupled Earth system models of the type used for weather and climate predictions suffer from sea‐surface temperature (SST) biases associated with errors in the location and structure of the Gulf Stream. Here, we show that such SST biases can have a significant impact on initialized forecasts at the subseasonal time range. In the European Center for Medium‐Range Weather Forecasts (ECMWF) subseasonal forecast system, correcting these errors with an online SST bias‐correction scheme improves the mean state of the North Atlantic region and has a significant positive impact on forecasts of atmospheric circulation anomalies. Improvements to forecast skill extend beyond the North Atlantic into Europe and along the northern hemisphere subtropical waveguide. These impacts provide important evidence for the potential benefits to initialized coupled forecast systems of higher‐resolution ocean models that can better resolve the position of the Gulf Stream.
Clouds and Radiation in a Mock‐Walker Circulation
Authors: Silvers Levi G. , Robinson Thomas 
Published: December 2020

AbstractThe Walker circulation connects the regions with deep atmospheric convection in the western tropical Pacific to the shallow‐convection, tropospheric subsidence, and stratocumulus cloud decks of the eastern Pacific. The purpose of this study is to better understand the multi‐scale interactions between the Walker circulation, cloud systems, and interactive radiation. To do this we simulate a mock‐Walker Circulation with a full‐physics general circulation model using idealized boundary conditions. Our experiments use a doubly‐periodic domain with grid‐spacing of 1, 2, 25, and 100 km. We thus span the range from General Circulation Models (GCMs) to Cloud‐system Resolving Models (CRMs). Our model is derived from the Geophysical Fluid Dynamics Laboratory atmospheric GCM (AM4.0). We find substantial differences in the mock‐Walker circulation simulated by our GCM‐like and CRM‐like experiments. The CRM‐like experiments have more upper level clouds, stronger overturning circulations, and less precipitation. The GCM‐like experiments have a low‐level cloud fraction that is up to 20% larger. These differences leads to opposite atmospheric responses to changes in the longwave cloud radiative effect (LWCRE). Active LWCRE leads to increased precipitation for our GCMs, but decreased precipitation for our CRMs. The LWCRE leads to a narrower rising branch of the circulation and substantially increases the fraction of precipitation from the large‐scale cloud parameterization. This work demonstrates that a mock‐Walker circulation is a useful generalization of radiative convective equilibrium that includes a large‐scale circulation.
Endothelial activation and dysfunction in COVID-19: from basic mechanisms to potential therapeutic approaches
Authors: Jin Yuefei , Ji Wangquan , Yang Haiyan , Chen Shuaiyin , Zhang Weiguo , Duan Guangcai 
Published: December 2020

AbstractOn 12 March 2020, the outbreak of coronavirus disease 2019 (COVID-19) was declared a pandemic by the World Health Organization. As of 4 August 2020, more than 18 million confirmed infections had been reported globally. Most patients have mild symptoms, but some patients develop respiratory failure which is the leading cause of death among COVID-19 patients. Endothelial cells with high levels of angiotensin-converting enzyme 2 expression are major participants and regulators of inflammatory reactions and coagulation. Accumulating evidence suggests that endothelial activation and dysfunction participate in COVID-19 pathogenesis by altering the integrity of vessel barrier, promoting pro-coagulative state, inducing endothelial inflammation, and even mediating leukocyte infiltration. This review describes the proposed cellular and molecular mechanisms of endothelial activation and dysfunction during COVID-19 emphasizing the principal mediators and therapeutic implications.
Solid-state NMR approaches to investigate large enzymes in complex with substrates and inhibitors
Authors: Schütz Anne K. 
Published: December 2020

Enzyme catalysis is omnipresent in the cell. The mechanisms by which highly evolved protein folds enable rapid and specific chemical transformation of substrates belong to the marvels of structural biology. Targeting of enzymes with inhibitors has immediate application in drug discovery, from chemotherapeutics over antibiotics to antivirals.
NMR spectroscopy combines multiple assets for the investigation of enzyme function. The non-invasive technique can probe enzyme structure and dynamics and map interactions with substrates, cofactors and inhibitors at the atomic level. With experiments performed at close to native conditions, catalytic transformations can be monitored in real time, giving access to kinetic parameters. The power of NMR in the solid state, in contrast with solution, lies in the absence of fundamental size limitations, which is crucial for enzymes that are either membrane-embedded or assemble into large soluble complexes exceeding hundreds of kilodaltons in molecular weight. Here we review recent progress in solid-state NMR methodology, which has taken big leaps in the past years due to steady improvements in hardware design, notably magic angle spinning, and connect it to parallel biochemical advances that enable isotope labelling of increasingly complex enzymes.
We first discuss general concepts and requirements of the method and then highlight the state-of-the-art in sample preparation, structure determination, dynamics and interaction studies. We focus on examples where solid-state NMR has been instrumental in elucidating enzyme mechanism, alone or in integrative studies.
Lengthening of the Asian Nose
Authors: Ng Chew Lip , Uppal Sandeep , Jung Dong Hak , Loh Ian Chi Yuan 
Published: December 2020

AbstractThe Asian nose has its unique morphology and forms a significant proportion of noses treated by the rhinoplasty surgeon not only in Asia but also in other countries where the Asian diaspora resides. The anatomical features and dimensions of the Asian nose differ from noses of persons of African, Caucasian, Indian, and Middle Eastern origins, poses its own challenges, and warrants a unique set of techniques for its aesthetic improvement. In this article, we present an overview of the approach to the lengthening of the Asian nose, drawing from our own experience with managing the Asian nose and referencing the published literature on the subject.
Contouring the Mandible for Aesthetic Enhancement in Asian Patients
Authors: Lee Tae Sung , Park Sanghoon 
Published: December 2020

AbstractA prominent mandible that gives a squared face in Asians is considered unattractive as it imparts a coarse and masculine image. Mandibular contouring surgery allows slender oval faces. The purpose of conventional mandible reduction is to make the lower face appear slim in frontal view and to have a smooth contour in lateral view. As shaping the lateral contour of the mandible alone may result in minimal improvement in the frontal view, surgical techniques to reduce the width of the lower face through narrowing genioplasty (i.e., the “V-line” surgery) and sagittal resection of the lateral cortex should be combined. Examination of the shape and symmetry, the relationship between the maxilla and the mandible, understanding overlying soft tissue contribution, and understanding the overall balance of the face are mandatory. An important factor influencing ideal facial shape is patient's personal preference, which is often influenced by his/her ethnic and cultural background. Especially when consulting patients of different nationalities or ethnic backgrounds, careful attention should be paid to the patient's aesthetic sensibility regarding the ideal or desirable facial shape. Narrowing the chin and modification of chin shape can be accomplished by narrowing genioplasty with central strip resection. This midsymphyseal sectioning procedure yields safe and very satisfactory results. This procedure not only augments the narrowing effect by leaving soft tissues attached to the bone but also enables modification of chin shape by altering the shape of resection. The surgeon should customize the surgery based on a comprehensive assessment of the patient's preoperative chin and mandible morphology complemented by an assessment of their aesthetic goals.