bluuebunny/crossref_metadata_2025 huggingface dataset:
The role of silver carbonate as a catalyst in the synthesis of
Authors: Yang Yang , Spyrou Benjamin , Donnelly Paul S. , Canty Allan J. , O’Hair Richard A. J.
Published: February 2022

The gas-phase extrusion–insertion (ExIn) reactions of a silver complex [(BPS)Ag(O2CC6H5)]2− ([BPS]2− = 4,7-diphenyl-1,10-phenanthroline-disulfonate), generated via electrospray ionisation was investigated by Multistage Mass Spectrometry (MSn ) experiments in a linear ion trap combined with density functional theory (DFT) calculations. Extrusion of carbon dioxide under collision-induced dissociation (CID) generates the organosilver intermediate [(BPS)Ag(C6H5)]2−, which subsequently reacts with phenyl isocyanate via insertion to yield [(BPS)Ag(NPhC(O)C6H5)]2−. Further CID of the product ion resulted in the formation of [(BPS)Ag(C6H5)]2−, [(BPS)Ag]− and C6H5C(O)NPh−. The formation of a coordinated amidate anion is supported by DFT calculations. Heating a mixture of benzoic acid, phenyl isocyanate, silver carbonate (5 mol%) and phenanthroline (20 mol%) in DMSO and heating by microwave irradiation led to the formation N-phenyl-benzamide in an isolated yield of 89%. The yield decreased to 74% without the addition of phenanthroline, while replacing silver carbonate with sodium carbonate gave an isolated yield of 84%, suggesting that the ExIn reaction may not operate in solution. This was confirmed using benzoic acid with a 13C-isotopic-label at the carboxylate carbon as the starting material, which, under microwave heating in the presence of phenyl isocyanate, silver carbonate (5 mol%) and phenanthroline (20 mol%) gave N-phenyl-benzamide with retention of the 13C isotopic label based on GC-MS experiments under electron ionisation (EI) conditions. DFT calculations using a solvent continuum reveal that the barriers associated with the pathway involving direct attack by the non-coordinated benzoate are below the ExIn pathways for the coordinated silver benzoate.
Dietary overlap of carcharhinid sharks in the Gulf of Papua
Authors: Baje Leontine , Chin Andrew , White William T. , Simpfendorfer Colin A.
Published: February 2022

Assessing the feeding patterns of sharks provides insight into ecological interactions. Three coastal sharks are common by-catch in the Gulf of Papua prawn fishery in Papua New Guinea. The diets of Carcharhinus coatesi (n = 122), Rhizoprionodon acutus (n = 83) and Rhizoprionodon taylori (n = 177) were assessed using stomach content analysis. Teleosts, crustaceans and molluscs were the main prey. Percentage frequency of occurrence (%FO) and percentage frequency by number (%N) were computed to describe dietary compositions. Non-metric multidimensional scaling and Morisita Index determined the level of feeding overlap. Rhizoprionodon taylori was a generalist feeder having the broadest diet, R. acutus was the most selective feeder, preying predominantly on teleosts and C. coatesi consumed the greatest proportion of crustaceans that increased with size. The pairwise ANOSIM tests showed significant difference in dietary compositions of R. acutus and R. taylori (P = 0.1%, R = 0.318) and R. acutus and C. coatesi (P = 0.1%, R = 0.589), which indicate potential resource partitioning. Further work should aim to adequately characterise diets, improve prey identification and investigate spatial and temporal resource use patterns. Understanding ecological processes informs ecosystem approaches fisheries management.
Adherable temperature sensor to a porous structure of fiber via reduced graphene oxide and poly(diallyldimethylammonium chloride) complex
Authors: Jung Hanyung , Park Jinhyuk
Published: February 2022

We present an adherable temperature sensor on aramid fiber filament coated with reduced graphene oxide (rGO) and poly(diallyldimethylammonium chloride) (PDADMAC) complex. The PDADMAC dispersed in a graphene oxide aqueous solution was dried and reduced to an rGO-PDADMAC complex with laser irradiation. The rGO-PDADMAC sensor was characterized with a scanning electron microscope and Raman spectroscopy. The rGO-PDADMAC sensor showed a negative temperature coefficient resistance change at 40% relative humidity (RH). Furthermore, the sensor successfully detected 58% resistance variation from 25 °C to 100 °C as the pristine rGO sensor showed 61% resistance variation on a rigid surface. Also, the rGO-PDADMAC sensor demonstrated long-term reliability of 3% sensitivity for seven days in normal room conditions at 25 °C and 40% RH. Additionally, the adherable temperature sensor of the rGO-PDADMAC complex viscous to the porous structure of aramid fiber detected 55% sensitivity from 25 °C to 100 °C.
Scotch-tape surface wrinkling based thin-film material properties extraction
Authors: Seok Seonho , Park HyungDal , Kim Jinseok
Published: February 2022

This paper presents a new simple method to measure thin film material properties using scotch-tape surface wrinkling. Thin metal films have been deposited on polymer substrates by e-beam evaporation. After patterned by photolithography and wet etching, long and narrow thin metal layers have been transferred by peel-off onto the scotch tape. The effect of velocity of scotch tape peel-off on the metal film transfer from polymer substrates to the scotch tape has been investigated. After metal transfer, metal film wrinkling patterns have been established on the scotch tape due to mechanical properties mismatch between the two materials. The wrinkling patterns have been characterized in term of amplitude and wavelength and they are compared with finite element method buckling simulation results for material properties extraction. By consequence, elastic moduli of 300 nm thick gold film and a multilayer of 30 nm Ti on 300 nm Au have been found 147 GPa and 885 GPa based on the measured wavelength of the wrinkling films.
A perspective of active microfluidic platforms as an enabling tool for applications in other fields
Authors: Hébert Marie , Huissoon Jan , Ren Carolyn L
Published: February 2022

Microfluidics has progressed tremendously as a field over the last two decades. Various areas of microfluidics developed in fully-fledged domains of their own such as organ-on-a-chip, digital and paper microfluidics. Nevertheless, the technological advancement of microfluidics as a field has not yet reached end-users for independent use. This is the key objective that is kept as a lens throughout this review. The ultimate goal is for microfluidics to be simply considered as a tool for application-focused research. A modular automated platform is envisioned to provide the stacking and modularity required to lower the knowledge barrier for end-users. The literature considered in this review is limited to active microfluidics and the analysis focuses on the potential for end-users to independently leverage the platforms for research in various fields such as cell assays, biochemistry, materials, and environmental factors monitoring.
Re-investigation and line identifications for W11+ in the visible range
Authors: Fu N , Lu Q , Yan C L , Xu G Q , Wang K , Chen C Y , Zou Y , Xiao J
Published: February 2022

We present a new investigation of unidentified emission lines in 350–660 nm from W11+ at a compact electron-beam ion trap in Shanghai. To help the line identification, transition energies of the lowest 48 levels are calculated by the large-scale relativistic configuration interaction and multiconfiguration Dirac–Hartree–Fock calculation. The results from the two calculations are in good agreement with each other and the deviation is 0.66% on average. By using the collisional-radiative model implemented in the flexible atomic code, six observed lines for the visible spectrum of W11+ are identified as magnetic-dipole transitions from 4f
125s
25p
3 and 4f
135s
25p
2 configurations.
ZKASP: ZKP-based attestation of software possession for measuring instruments
Authors: Brandão Luís T A N , Galhardo Carlos E C , Peralta René
Published: February 2022

Software-controlled measuring instruments used in commercial transactions, such as fuel dispensers and smart meters, are sometimes subject to ‘memory replacement’ attacks. Cybercriminals replace the approved software by a malicious one that then tampers with measurement results, inflicting a financial loss to customers and companies. To mitigate such attacks, legal metrology systems often require regular device attestation, where an auditor checks that the device possesses (‘knows’) the approved software. However, current attestation methods usually require the software to be known by the auditor, thus increasing the risk of inadvertent leakage or malicious theft of proprietary information, besides facilitating its malicious adulteration. We describe how this issue can be addressed in legal metrology systems by using zero-knowledge proofs of knowledge (ZKPoK). These proofs enable attestation of possession of approved software, while ensuring its confidentiality from the auditor. To further provide publicly verifiable evidence of freshness, each such proof can be related to a fresh random value from a public randomness beacon. This article presents the basic conceptual idea, while also discussing pitfalls that should be avoided.
Improving robustness of line features for VIO in dynamic scene
Authors: Wu Jianfeng , Xiong Jian , Guo Hang
Published: February 2022

The point feature, whose dynamic robustness has been widely studied, dominates in the field of visual simultaneous localization and mapping (SLAM) or visual-inertial odometry (VIO). When discussing a dynamic scene, line features are not given enough attention. This paper proposes a pre-processing step for VIO to reduce the influence of lines upon dynamic objects on system robustness and merges it into a state-of-the-art optimization-based VIO pipeline. First, it is determined whether the line feature is a potential dynamic line based upon the result of the semantic segmentation, optical flow and re-projection error. Then, instead of filtering them out, the information matrixes of these line features in the optimization function is adjusted by a weight-based method according to their tracked size. A simulated challenged visual-inertial dataset is used to evaluate the proposed algorithm against other state-of-the-art methods. The results shows that proposed method can increase robustness to dynamic scenes and make the line-based map neater and more intuitive through avoiding the drawing of dynamic line features during the mapping procedure.
In-depth analysis on electrical parameters of floating gate IGZO synaptic transistor affecting pattern recognition accuracy
Authors: Kwon Ojun , Oh Seyoung , Park Heejeong , Jeong Soo-Hong , Park Woojin , Cho Byungjin
Published: February 2022

The reliable conductance modulation of synaptic devices is key when implementing high-performance neuromorphic systems. Herein, we propose a floating gate indium gallium zinc oxide (IGZO) synaptic device with an aluminum trapping layer to investigate the correlation between its diverse electrical parameters and pattern recognition accuracy. Basic synaptic properties such as excitatory postsynaptic current, paired pulse facilitation, long/short term memory, and long-term potentiation/depression are demonstrated in the IGZO synaptic transistor. The effects of pulse tuning conditions associated with the pulse voltage magnitude, interval, duration, and cycling number of the applied pulses on the conductance update are systematically investigated. It is discovered that both the nonlinearity of the conductance update and cycle-to-cycle variation should be critically considered using an artificial neural network simulator to ensure the high pattern recognition accuracy of Modified National Institute of Standards and Technology (MNIST) handwritten digit images. The highest recognition rate of the MNIST handwritten dataset is 94.06% for the most optimized pulse condition. Finally, a systematic study regarding the synaptic parameters must be performed to optimize the developed synapse device.
Chloramphenicol-activated electro-chemiluminescent behavior of BNQDs-Ru(phen)3
2+ system for ultra-sensitive sensing of chloramphenicol in pharmaceutical and milk samples
Authors: Wu Fang-hui , Wen Guo-qiang , Luo Xiang-rui , Xu Xu-dong , Liu Zi , Sun Wen-bin , Kang Yan-shang , Yan Zhengquan
Published: February 2022

To improve the sensitivity for electro-chemiluminescent (ECL) detection of chloramphenicol (CAP), a common broad-spectrum antibiotic, boron nitride quantum dots (BNQDs) were prepared with excellent photoelectric property and low toxicity. After its structure and electrochemical property were investigated in detail, it was noted that the ECL signal of Ru(Phen)3
2+ could be strengthened by the proposed BNQDs, which was further activated by ten’s times in the presence of CAP. Under the optimized conditions, there was an excellent linear relationship between ΔECL and lgc
CAP in a wide linear range from 1.0 × 10−10 to 1.0 × 10−6 mol l−1 CAP. The detection limit was super-low to be 3.3 × 10−11 mol l−1 (S/N = 3). When applied for CAP detection in real pharmaceutical and food samples, the recoveries were between 97.8% and 105.7% with R.S.D. less than 3.3%. A possible CAP-activated ECL mechanism of BNQDs-Ru(phen)3
2+ was also proposed. This work will offer a great potential for efficient monitoring of CAP pollution and clinical diagnosing of CAP-related diseases in future.
Tentacled snakes-inspired flexible pressure sensor for pain sensation monitoring
Authors: Zheng Anbo , Qin Yuxiang , Zhang Xueshuo , Xia Qing , Xu Xin , Bai Chenxiang
Published: February 2022

Exploration of flexible tactile sensors with high sensitivity that can imitate the perception functions (tactile sensing and pain sensing) of human skin is the main force in the realization of electronic skin. The research of electronic skin with the function of pain perception is of great significance in the field of biomimetic robot and treatment of patients losing the pain sensation ability of their skin. Herein, to broaden the application field of traditional electronic skin, we demonstrate a biomimetic and highly sensitive tactile sensor for realization of sensory functionalities of human skin. The structure of our sensor mimics the surface of the tentacles of tentacled snakes, which are strikingly sensitive mechanoreceptors. We design a tentacle-inspired flexible sensor by sandwiching the convex dielectric layer of PDMS/MXene microarrays between two flexible electrodes. It is found that the bioinspired sensor exhibits a high sensitivity of 3.61 kPa−1, a fast response time of 29 ms and a satisfactory stability, ensuring the ability in monitoring physiological signals. Finally, we present the application of the sensor for finger bending, international Morse code detection, and artery pulse detection. By presetting the pain thresholds of different areas of skin in a program, the sensor can identify and distinguish pressure data that exceed the pain threshold, realizing the detection of pain. In addition, it can be further applied on robot skins to assess the risk level of the working environment by monitoring its pressure data.
High-repetition-rate seeded free-electron laser with direct-amplification of an external coherent laser
Authors: Wang Xiaofan , Feng Chao , Faatz Bart , Zhang Weiqing , Zhao Zhentang
Published: February 2022

Various scientific and industrial researches such as spectroscopy and advanced nano-technologies have been demanding high flux and fully coherent extreme ultraviolet (EUV) and x-ray radiation. These demands can be commendably satisfied with a MHz-level repetition-rate seeded free-electron laser (FEL). Dictated by the seed laser system, seeded FELs have faced obstacles for the realization of MHz repetition rate. Reducing the required peak power of an external coherent seed laser can effectively increase the repetition rate of a seeded FEL. This paper presents a novel technique that employs a long modulator as a carrier for laser amplification and electron modulation, which is quite different from nominal seeded FELs. Applications of the proposed technique into high-gain harmonic generation (HGHG) and echo-enabled harmonic generation (EEHG) are investigated. Simulation results demonstrate that seed laser power is reduced by about three orders of magnitude and the FEL radiation possesses consistently high coherence and power stability with respect to the nominal HGHG or EEHG. The proposed technique paves the way for the realization of fully coherent EUV and soft x-ray FELs with a repetition rate of MHz and an average power of about 100 W.
Quantum dynamics of Gaudin magnets
Authors: He Wen-Bin , Chesi Stefano , Lin Hai-Qing , Guan Xi-Wen
Published: February 2022

Quantum dynamics of many-body systems is a fascinating and significant subject for both theory and experiment. The question of how an isolated many-body system evolves to its steady state after a sudden perturbation or quench still remains challenging. In this paper, using the Bethe ansatz wave function, we study the quantum dynamics of an inhomogeneous Gaudin magnet. We derive explicit analytical expressions for various local dynamic quantities with an arbitrary number of flipped bath spins, such as: the spin distribution function, the spin–spin correlation function, and the Loschmidt echo. We also numerically study the relaxation behavior of these dynamic properties, gaining considerable insight into coherence and entanglement between the central spin and the bath. In particular, we find that the spin–spin correlations relax to their steady value via a nearly logarithmic scaling, whereas the Loschmidt echo shows an exponential relaxation to its steady value. Our results advance the understanding of relaxation dynamics and quantum correlations of long-range interacting models of the Gaudin type.
Looking through the windows: a study about the dependency of phase-coupling estimates on the data length
Authors: Basti Alessio , Chella Federico , Guidotti Roberto , Ermolova Maria , D’Andrea Antea , Stenroos Matti , Romani Gian Luca , Pizzella Vittorio , Marzetti Laura
Published: February 2022

Objective. Being able to characterize functional connectivity (FC) state dynamics in a real-time setting, such as in brain–computer interface, neurofeedback or closed-loop neurostimulation frameworks, requires the rapid detection of the statistical dependencies that quantify FC in short windows of data. The aim of this study is to characterize, through extensive realistic simulations, the reliability of FC estimation as a function of the data length. In particular, we focused on FC as measured by phase-coupling (PC) of neuronal oscillations, one of the most functionally relevant neural coupling modes. Approach. We generated synthetic data corresponding to different scenarios by varying the data length, the signal-to-noise ratio (SNR), the phase difference value, the spectral analysis approach (Hilbert or Fourier) and the fractional bandwidth. We compared seven PC metrics, i.e. imaginary part of phase locking value (iPLV), PLV of orthogonalized signals, phase lag index (PLI), debiased weighted PLI, imaginary part of coherency, coherence of orthogonalized signals and lagged coherence. Main results. Our findings show that, for a SNR of at least 10 dB, a data window that contains 5–8 cycles of the oscillation of interest (e.g. a 500–800 ms window at 10 Hz) is generally required to achieve reliable PC estimates. In general, Hilbert-based approaches were associated with higher performance than Fourier-based approaches. Furthermore, the results suggest that, when the analysis is performed in a narrow frequency range, a larger window is required. Significance. The achieved results pave the way to the introduction of best-practice guidelines to be followed when a real-time frequency-specific PC assessment is at target.
Finite elements method-based ICRF wave heating simulation integrating with SOL plasma for EAST tokamak
Authors: Zhang J.H. , Zhang X.J. , Qin C.M.
Published: February 2022

Ion cyclotron range of frequency (ICRF) wave heating simulation is often carried out in the core plasma region. However, the inclusion of scrape-off layer (SOL) plasma in the simulation model may lead to a new physical phenomenon and needs to be studied. In this paper, we apply a finite elements method based on the approach of Vallejos et al (2019 Nucl. Fusion
59 076022), to simulate ICRF wave heating to account realistically for SOL plasma of the EAST. In the presence of the density pedestal near the last closed flux surface, a kind of cavity mode is observed for the case of low parallel wave number. Near the ion–ion hybrid resonance (IIR) layer in the SOL region, mode conversion from fast waves to slow waves takes place. ICRF wave coupling characteristics are roughly consistent with the prediction of the dispersion relation except for some small deviations, which may be caused by fast wave reflection in the high-field side. Approximately on-axis heating of H ion is observed and the power deposition zone broadens with parallel wave number increasing. Wave energy dissipation in SOL plasma is less than 7% and localized near the IIR region. Furthermore, the comparison between D(H) and D(He-3) minority heating scenarios is also carried out. The results and conclusions in this paper can provide a theoretical reference for ICRF heating experiments and may supply a new insight into the form of ICRF waves in the plasma edge.
Mannose-binding lectin conjugated to quantum dots as fluorescent nanotools for carbohydrate tracing
Authors: Lima Carinna N , Oliveira Weslley F , Silva Paloma M M , Filho Paulo E Cabral , Juul-Madsen Kristian , Moura Patrícia , Vorup-Jensen Thomas , Fontes Adriana
Published: February 2022

Quantum dots (QDs) have stood out as nanotools for glycobiology due to their photostability and ability to be combined with lectins. Mannose-binding lectin (MBL) is involved in the innate immune system and plays important roles in the activation of the complement cascade, opsonization, and elimination of apoptotic and microbial cells. Herein, adsorption and covalent coupling strategies were evaluated to conjugate QDs to a recombinant human MBL (rhMBL). The most efficient nanoprobe was selected by evaluating the conjugate ability to label Candida albicans yeasts by flow cytometry. The QDs-rhMBL conjugate obtained by adsorption at pH 6.0 was the most efficient, labeling ca. 100% of cells with the highest median fluorescence intensity. The conjugation was also supported by Fourier transform infrared spectroscopy, zeta potential, and size analyses. C. albicans labeling was calcium-dependent; 12% and <1% of cells were labeled in buffers without calcium and containing EDTA, respectively. The conjugate promoted specific labeling (based on cluster effect) since, after inhibition with mannan, there was a reduction of 80% in cell labeling, which did not occur with methyl-α-D-mannopyranoside monosaccharide. Conjugates maintained colloidal stability, bright fluorescence, and biological activity for at least 8 months. Therefore, QDs-rhMBL conjugates are promising nanotools to elucidate the roles of MBL in biological processes.
Directional etching for high aspect ratio nano-trenches on hexagonal boron nitride by catalytic metal particles
Authors: Chen Chen , He Li , Jiang Chengxin , Chen Lingxiu , Wang Hui Shan , Wang Xiujun , Kong Ziqiang , Mu Xiaojing , Wei Zhipeng , Watanabe Kenji , Taniguchi Takashi , Wu Tianru , Zhang Daoli , Wang Haomin
Published: February 2022

Stimulated by the attractive performance of multi-dimensional heterostructures involving hexagonal boron nitride (hBN), intense attentions have been paid to creation of sharp boundary/interface, which could bring hBN nano-structures additional appealing physical properties. However, the lack of controllable synthesis limits further experimental investigation on hBN nano-structures. Here, the directional etching of transitional metal nano-particles (NPs) on the surface of hBN to produce nano-trenches with sharp edges was systematic investigated. It is found that, only Pt and Ir NPs can produce armchair-oriented nano-trenches at low H2 partial pressure, while other transitional metals lead to zigzag oriented nano-trenches. The density and width of the nano-trenches always increase with etching temperature and the pre-treated solution concentration while the trench orientation depends on both H2 partial pressure and etching temperature. The aspect ratio of nano-trenches may reach several thousand under optimized conditions. The method exhibited here shines a light on edge-selective patterning of 2D crystals.
An ultra-broadband flexible polarization-insensitive microwave metamaterial absorber
Authors: Jing Huihui , Duan Junping , Wei Yiqing , Hao Jingxian , Qu Zeng , Wang Jiayun , Zhang Binzhen
Published: February 2022

In this paper, an ultra-broadband flexible polarization-insensitive microwave metamaterial absorber is proposed, characterized, and fabricated. To achieve high broadband absorption, a two-layer periodic indium-tin-oxide (ITO) patches array printed on polyethylene terephthalate (PET) dielectric layers is used to generate high ohmic loss. The simulation results show that the proposed absorber can achieve greater than 90% absorption in the microwave band range of 19.68 to 94.7 GHz. The absorber is polarization-insensitive due to the symmetry of the structure with high absorption over a wide incidence angle of 60°. The mechanism of ultra-broadband absorption is discussed by the impedance matching theory, the surface current distribution, and the electric field distribution. In addition, the equivalent circuit model is utilized to analyze the effect of the structural parameters. Furthermore, the bow-frame method validates that the experimental measurements are consistent with the simulated spectra. With advantages of absorption of ultra-broadband, polarization-insensitivity, and flexibility, the proposed absorber facilitates its use in numerous potential applications for energy harvesting, imaging and sensing, stealth technology, modulating, and so on.
Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers
Authors: Metcalf Mekena , Stone Emma , Klymko Katherine , Kemper Alexander F , Sarovar Mohan , de Jong Wibe A
Published: February 2022

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo process that allows sampling of the Gibbs distribution of a multivariate model. To demonstrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.
A review of recent results of mid-infrared quantum cascade photonic devices operating under external optical control
Authors: Spitz Olivier , Grillot Frédéric
Published: February 2022

The purpose of this article is to gather recent findings about the non-linear dynamics of distributed feedback quantum cascade lasers (QCLs), with a view on practical applications in a near future. As opposed to other semiconductor lasers, usually emitting in the visible or the near-infrared region, QCL technology takes advantage of intersubband transitions and quantum engineering to emit in the mid-infrared and far-infrared domain. This peculiarity and its physical consequences were long considered as a detrimental characteristic to generate non-linear dynamics under external optical control. However, we show that a wide diversity of phenomena, from high-dimensional chaos to giant pulses can be observed when the QCL is under external optical feedback or under optical injection and with a continuous current bias. Most of these phenomena have already been observed in other semiconductor lasers under optical feedback or under optical injection, which allows us to compare QCLs with their interband counterparts.
Chemistry-informed macromolecule graph representation for similarity computation, unsupervised and supervised learning
Authors: Mohapatra Somesh , An Joyce , Gómez-Bombarelli Rafael
Published: February 2022

The near-infinite chemical diversity of natural and artificial macromolecules arises from the vast range of possible component monomers, linkages, and polymers topologies. This enormous variety contributes to the ubiquity and indispensability of macromolecules but hinders the development of general machine learning methods with macromolecules as input. To address this, we developed a chemistry-informed graph representation of macromolecules that enables quantifying structural similarity, and interpretable supervised learning for macromolecules. Our work enables quantitative chemistry-informed decision-making and iterative design in the macromolecular chemical space.
A Long Way from Steubenville: Environmental Epidemiology in a Rapidly Changing World
Authors: Ritz Beate R
Published: February 2022

This commentary focuses on research that has long been at the core of environmental epidemiology: studies of the health effects of air pollution. It highlights publications in the American Journal of Epidemiology going back more than 50 years that have contributed to the debate about the validity of this research and its meaning for public policy. Technological advances have greatly expanded the toolbox of environmental epidemiologists in terms of measuring and analyzing complex exposures in large populations. Yet, discussions about biases in estimating air pollution health effects have always been and remain intense. Epidemiologists have brought new methodologies and concepts to this research, alleviating some but not all concerns. Here, the focus is on seminal epidemiologic work that established valid links between air pollution exposures and health outcomes and generated data for environmental policies and prevention. With this commentary, I hope to inspire epidemiologists to address many more of the burning environmental health questions—wildfires included—with a similar scientific doggedness. The rapidly changing conditions of our planet are challenging us to innovate and offer solutions, albeit perhaps a little bit faster this time around.
Diagnosis and Management of Uncomplicated Chlamydia trachomatis Infections in Adolescents and Adults: Summary of Evidence Reviewed for the 2021 Centers for Disease Control and Prevention Sexually Transmitted Infections Treatment Guidelines
Authors: Geisler William M , Hocking Jane S , Darville Toni , Batteiger Byron E , Brunham Robert C
Published: February 2022

To prepare for the development of the 2021 Centers for Disease Control and Prevention (CDC) sexually transmitted infections treatment guidelines, the CDC convened a committee of expert consultants in June 2019 to discuss recent abstracts and published literature on the epidemiology, diagnosis, and management of sexually transmitted infections.This paper summarizes the key questions, evidence, and recommendations for the diagnosis and management of uncomplicated Chlamydia trachomatis (CT) infections in adolescents and adults that were reviewed and discussed for consideration in developing the guidelines. The evidence reviewed mostly focused on efficacy of doxycycline and azithromycin for urogenital, rectal, and oropharyngeal CT infection, CT risk factors in women, performance of CT nucleic acid amplification tests on self-collected meatal specimens in men, and performance of newer CT point-of-care tests.
Cardiovascular disease in the elderly: proceedings of the European Society of Cardiology—Cardiovascular Round Table
Authors: Lettino Maddalena , Mascherbauer Julia , Nordaby Matias , Ziegler André , Collet Jean Philippe , Derumeaux Geneviève , Hohnloser Stefan H , Leclercq Christophe , O'Neill Deirdre E , Visseren Frank , Weidinger Franz , Richard-Lordereau Isabelle
Published: February 2022

The growing elderly population worldwide represents a major challenge for caregivers, healthcare providers, and society. Older patients have a higher prevalence of cardiovascular (CV) disease, high rates of CV risk factors, and multiple age-related comorbidities. Although prevention and management strategies have been shown to be effective in older people, they continue to be under-used, and under-studied. In addition to hard endpoints, frailty, cognitive impairments, and patients’ re-assessment of important outcomes (e.g. quality of life vs. longevity) are important aspects for older patients and emphasize the need to include a substantial proportion of older patients in CV clinical trials. To complement the often skewed age distribution in clinical trials, greater emphasis should be placed on real-world studies to assess longer-term outcomes, especially safety and quality of life outcomes. In the complex environment of the older patient, a multidisciplinary care team approach with the involvement of the individual patient in the decision-making process can help optimize prevention and management strategies. This article aims to demonstrate the growing burden of ageing in real life and illustrates the need to continue primary prevention to address CV risk factors. It summarizes factors to consider when choosing pharmacological and interventional treatments for the elderly and the need to consider quality of life and patient priorities when making decisions.
Automatic Writings and Authorial Egos
Authors: Metzidakis Stamos
Published: February 2022

One of Surrealism’s fundamental principles was that of automatism. This article examines the history of automatic writing, its evolving place in the movement, and the extent to which André Breton and others adhered—or not—to this same principle, either in their own creative works or in the collaborative ones they produced together. Close readings of several key theoretical texts which outline the aims and goals of this type of literary composition, along with both more extensive consideration of potentially pre-established narrative strategies and plot structures, and specific poetic passages and images, suggest instead that for many reasons individual egos sometimes prevented genuine automatism. Analysis and discussion of these examples indicate that Surrealist authors, perhaps more often than previously thought, set up in advance, even revised, the form of their texts to make them accessible to readers who might have otherwise remained more confused.
“They Never Really Leave Us”: Transcendent Narratives About Loss Resonate With the Experience of Severe Grief
Authors: Das Enny , Peters Judith
Published: February 2022

Self-transcendent media experiences can instill a sense of connectedness, the sense of being part of a bigger whole. Proposing that this experience is relevant for people who have lost a loved one, the present research examined processing and effects of transcendent narratives of loss among the bereaved. Study 1 (N = 1,012) examined if personal experience with loss (grief severity, loss acceptance) increased mixed affect, transportation, identification, and appreciation of narratives of loss with, and without a reference to transcendence; Study 2 (N = 240) examined effects on elevation and connectedness. Findings showed that transcendent narratives of loss increased transportation, identification, and story appreciation especially for individuals with severe grief. Conversely, transcendent narratives of loss increased elevation, and connectedness especially for individuals with low grief. Findings suggest that transcendent narratives of loss resonate with severe personal grief. We found no evidence that a transcendent perspective on death reflects difficulty in accepting one’s personal loss.
Management of residual spaces after lung resections and air leaks: Ultrasound and pneumoperitoneum
Authors: Messina Gaetana , Noro Antonio , Natale Giovanni , Bove Mary , Fasano Morena , Vicidomini Giovanni , Santini Mario , Fiorelli Alfonso
Published: February 2022

Prolonged chest tube drainage is one of the most common postoperative complications of pulmonary resections; it is related to complications such as residual pleural spaces or continuous alveolar air leaks. We retrospectively evaluated the efficacy of artificial intraoperative pneumoperitoneum in the treatment of such complications after lung resections. The presence of a residual space associated with prolonged air leaks can be difficult to treat, exposes the patient to a high risk of infection, prolongs hospitalization, and in some cases mandates reoperation. Between October 2016 and March 2020, four patients underwent pneumoperitoneum. The obliteration of the pleural cavity and the absence of air leaks were observed in 3 patients; only 1 patient was discharged with a Heimlich valve. Artificial intraoperative pneumoperitoneum is a safe and simple procedure. It decreases the duration of chest drainage and of the hospital stay; however, further studies are needed to corroborate our data. The learning curve for this technique may be relatively short.
Electrochemical Detection of Nuciferine in the Lotus Leaf Based on Efficient Catalysis by Zirconium-MOFs
Authors: Wu Mengdie , Qi Feifan , Qiu Ren , Feng Jing , Ren Xinshui , Rong Shengzhong , Ma Hongkun , Pan Hongzhi , Chang Dong
Published: February 2022

Background

Nuciferine is an amorphine alkaloid in lotus leaf that has anti-inflammatory, lipid-lowering and hypoglycemic effects, so the quantitation of detected nuciferine is important.

Objective

An electrochemical method was developed for nuciferine detection based on efficient catalysis by Zr-MOFs (Metal-organic frameworks).

Methods

In this work, the ratiometric electrochemical method was developed for nuciferine detection based on efficient catalysis by Zr-MOFs. UiO66 is a Zr-MOFs nanomaterial and can absorb methylene blue (MB) by electrostatic action to form UiO66-MB nanocomposite. The UiO66-MB nanocomposite can be used as an enhancer to catalyze nuciferine decomposition and a carrier to provide a two-dimensional environment for the reaction of nuciferine. Moreover, good catalytic properties of UiO66 were first time used for the detection of nuciferine.

Results

This method has a linear detection range from 0.1  to approximately 20 μg/mL, and a low detection limit of 0.03 μg/mL (S/N=3). The recovery was from 98.1 to 102% and the RSD was from 0.45 to 3.65%, indicating that the proposed method can be applied for the analysis of real samples.

Conclusion

The proposed electrochemical method can be used to detect nuciferine in lotus leaves.

Highlights

The ratiometric electrochemical method was used for the detection of nuciferine. The MB can be used as an internal standard for anti-interference. And, UiO66 is used to catalyze the decomposition of nuciferine. Great catalytic properties of UiO66 were first time used for the detection of nuciferine.
Quantitative Predictors of Response to Neoadjuvant Chemotherapy on Dynamic Contrast-enhanced 3T Breast MRI
Authors: Murakami Wakana , Won Choi Hyung , Joines Melissa M , Hoyt Anne , Doepke Laura , McCann Kelly E , Salamon Noriko , Sayre James , Lee-Felker Stephanie
Published: February 2022

Objective

To assess whether changes in quantitative parameters on breast MRI better predict pathologic complete response (pCR) to neoadjuvant chemotherapy (NAC) in breast cancer than change in volume.

Methods

This IRB-approved retrospective study included women with newly diagnosed breast cancer who underwent 3T MRI before and during NAC from January 2013 to December 2019 and underwent surgery at our institution. Clinical data such as age, histologic diagnosis and grade, biomarker status, clinical stage, maximum index cancer dimension and volume, and surgical pathology (presence or absence of in-breast pCR) were collected. Quantitative parameters were calculated using software. Correlations between clinical features and MRI quantitative measures in pCR and non-pCR groups were assessed using univariate and multivariate logistic regression.

Results

A total of 182 women with a mean age of 52 years (range, 26–79 years) and 187 cancers were included. Approximately 45% (85/182) of women had pCR at surgery. Stepwise multivariate regression analysis showed statistical significance for changes in quantitative parameters (increase in time to peak and decreases in peak enhancement, wash out, and Kep [efflux rate constant]) for predicting pCR. These variables in combination predicted pCR with 81.2% accuracy and an area under the curve (AUC) of 0.878. The AUCs of change in index cancer volume and maximum dimension were 0.767 and 0.613, respectively.

Conclusion

Absolute changes in quantitative MRI parameters between pre-NAC MRI and intra-NAC MRI could help predict pCR with excellent accuracy, which was greater than changes in index cancer volume and maximum dimension.
Polymer gear contact fatigue reliability evaluation with small data set based on machine learning
Authors: Liu Genshen , Wei Peitang , Chen Kerui , Liu Huaiju , Lu Zehua
Published: February 2022

Polymer gears have shown potential in power transmission by their comprehensive mechanical properties. One of the significant concerns with expanding their applications is the deficiency of reliability evaluation methods considering small data set circumstances. This work conducts a fair number of polyoxymethylene (POM) gear durability tests with adjustable loading and lubrication conditions via a gear durability test rig. A novel machine learning-based reliability model is developed to evaluate contact fatigue reliability for the POM gears with such a data set. Results reveal that the model predicts reasonable POM gear contact fatigue curves of reliability–stress–number of cycles with 2.0% relative error and 18.8% reduction of test specimens compared with the large sample data case. In contrast to grease lubrication, the oil-lubricated POM gear contact fatigue strength improves by 10.4% from 52.1 to 57.6 MPa.
Blockchain-based land registry platforms: a survey on their implementation and potential challenges
Authors: Mezquita Yeray , Parra-Domínguez Javier , Pérez-Pons María E , Prieto Javier , Manuel Corchado Juan
Published: February 2022

In recent years it has been demonstrated that the use of the traditional property registry models involves the risk of corruption along with long waiting times. This paper points out the main problems associated with conventional models and makes a survey of the new ones that are based on blockchain technology. This type of model is already being developed as a proof of concept by different countries. With the use of this technology in land registry systems, it is possible to improve the transparency of the processes as well as optimize costs and execution time. To show the theoretical results of this study, the Spanish land registry has been taken as an example of a use case scenario.
Decision Support Tools to Inform the Rehabilitation and Management of High Graded Forests
Authors: Curtze Alexander C , Muth Allyson B , Larkin Jeffery L , Leites Laura P
Published: February 2022

Numerous forests in the eastern United States have been degraded due to past exploitative timber harvesting known as high grading. High graded forest stands may not improve without active rehabilitation and may require targeted silvicultural treatments. This study focuses on high graded mixed-oak (mixed-Quercus spp.) stands and aims to develop a model that can identify past high grading and to determine modifications that may improve forest management recommendations provided by the prominent decision support tool, SILVAH. We present a model that uses standard forest inventory measurements and does not require knowledge of preharvest stand conditions to predict with moderate to high accuracy whether a stand was high graded, which could be particularly useful for nonindustrial private forests. Results indicate that modifications to SILVAH may be necessary to improve its utility for prescribing silvicultural treatments in high graded stands.
Assessing the Absorption and Economic Impact of Suppression and Repair Spending of the 2017 Eagle Creek Fire, Oregon
Authors: Politoski Danny , Dittrich Ruth , Nielsen-Pincus Max
Published: February 2022

The frequency of large wildfires in the US has increased over the past few decades, and more communities will need to prepare for the inevitability of wildfire in the future. In this article, we examine the local and regional economic impact of fire suppression and postfire repair spending for the 2017 Oregon Eagle Creek fire. The Eagle Creek fire is unique in that it occurred close to a large metropolitan area, Portland, and along an important transportation corridor, Interstate 84. We found that the proportion of repair spending absorbed by local and regional counties was 85%, whereas 26% of suppression spending was absorbed by local and regional counties. We quantified the wider economic impact of this spending using the input-output model, IMPLAN. Suppression spending created a total economic output of $4 million (initial input $2.4 million) while repair spending created an economic output of $14 million per year over two years (initial input $14.5 million).
Three faces of recursion axioms: the case of constructive dynamic logic of relation changers
Authors: Hatano Ryo , Sano Katsuhiko
Published: February 2022

This paper proposes an intuitionistic generalization of van Benthem and Liu’s dynamic logic of relation changers, where relation changers are dynamic operators that rewrite each agent’s accessibility relation. We employ Nishimura’s Kripke semantics for a constructive propositional dynamic logic to define the semantics of relation changers. Strong completeness results of Hilbert-style axiomatizations for constructive dynamic logic of relation changers are established by two types of rewriting strategies via recursion axioms: inside-out and outside-in strategies. To establish the semantic completeness by outside-in strategy, we propose the notion of composition of relation changers and an appropriately defined notion of length of a formula. Moreover, we reveal that recursion axioms have additional two faces: semantic and proof-theoretic ones. As for the semantic face, we introduce an alternative semantics for dynamic logic of relation changers to specify the semantic meaning of recursion axioms used in the inside-out strategy. This leads us to a semantic completeness proof of the axiomatization for the original semantics, which does not require a rewriting strategy based on recursion axioms. As for the proof-theoretic face, we transform each of recursion axioms required in the outside-in strategy into two (left and right) inference rules to provide a sequent calculus for dynamic logic of relation changers. Since the resulting sequent calculus is cut-free but semi-analytic, it still enjoys the Craig interpolation theorem by Maehara’s method.