bluuebunny/crossref_metadata_2025 huggingface dataset:
Recent Developments in Solid-Phase Glycan Synthesis
Authors: Delbianco Martina , Huang Jhih-Yi
Published: September 2022

Solid-phase glycan synthesis (SPGS) is a valuable approach to access broad collections of complex, well-defined oligo- and polysaccharides in short amounts of time. The target structure is assembled following iterative cycles of glycosylation and deprotection, often aided by automated machines. To expand the scope of SPGS, new solid supports, linkers, glycosylation and deprotection reactions, and functionalization strategies are constantly being developed. Here we discuss the state of the art of SPGS, with particular focus on the chemistry happening on solid-phase. We highlight recent achievements as well as challenges to be addressed to expand the scope of SPGS even further.

1 Introduction

2 Solid-Phase Glycan Synthesis

2.1 The Solid Support

2.2 The Linker

2.3 The Assembly Process

2.4 Post-Assembly Manipulations

2.5 The Analysis

2.6 Cleavage from the Solid Support

3 Conclusion and Outlook
Large-Vessel Occlusion Stroke Treated by Endovascular Thrombectomy in Patient with Coronavirus Disease 2019
Authors: Tsurumi Yuko , Matsubara Noriaki , Yokoyama Hayato , Hososhima Osamu , Tsurumi Arihito
Published: September 2022

We report a case of acute ischemic stroke caused by large-vessel occlusion in a patient infected with coronavirus disease 2019 (COVID-19) who was treated by endovascular thrombectomy. The patient was a 41-year-old man hospitalized with moderately severe COVID-19. Fourteen days after the onset of COVID-19, dysarthria and right hemiplegia were observed, and acute occlusion of the left middle cerebral artery was diagnosed. Mechanical thrombectomy was performed with a stent retriever while the patient was under local anesthesia and sedation. The staff involved in the intervention was as minimal as possible. The interventional surgeon wore a disposable surgical gown, an N95 mask, a face shield, and two pairs of gloves, while the patient was fitted with a surgical mask. The intervention involved the usual procedures, such as sheath insertion, catheter manipulation, and stent deployment, and the thrombus was removed with the stent retriever. The time from puncture to recanalization was within 30 minutes. No infection was observed in our staff or inpatients after the intervention. Thus, we were able to perform neuroendovascular treatment without spreading COVID-19 by taking appropriate measures to prevent infection.
Work Relative Value Units for Total Hip Replacement Performed for Osteoarthritis Compared to Fracture
Authors: Quan Theodore , Best Matthew J. , Nayar Suresh K. , Kreulen R. Timothy , Manzi Joseph E. , Srikumaran Uma , Thakkar Savyasachi C.
Published: September 2022

Total hip arthroplasty (THA) performed in the setting of fracture is associated with greater case complexity, worse outcomes, and increased costs when compared with THA performed for osteoarthritis. Despite the increased complexity, the work relative value units (wRVUs) assigned to THA may not adequately compensate for this difference in surgical effort and time. The purpose of this study was to determine the wRVU per minute rates and reimbursement in dollars per minute for THA performed for fracture compared with THA performed for osteoarthritis. Data were collected through the National Surgical Quality Improvement Program database from 2006 to 2018 to identify all patients who underwent primary THA for osteoarthritis or for fractures. Total wRVU, operation time, wRVU per minute, and dollars per minute were assessed between the osteoarthritis and fracture cohorts. Bivariate and multivariate analyses were utilized for the study. The mean operation times for primary THA for osteoarthritis and for fractures were 91.96 and 99.43 minutes, respectively (p < 0.001), resulting in 0.26 versus 0.25 wRVU/min (p < 0.001). THA for osteoarthritis was also valued higher at $9.22/min versus $8.83/min for fracture (p < 0.001). This study shows that wRVU rates and reimbursement in dollars per minute for THA performed in the setting of fracture were lower than THA performed for osteoarthritis. Although patient care remains the number one priority, these findings have important implications in establishing adequate compensation for more complex cases. Level of evidence is III.
Midterm Outcomes of a Monoblock Dual-Mobility Cup Cemented into a Fully Porous Acetabular Component in Revision Total Hip Arthroplasty
Authors: Muthusamy Nishanth , Shichman Ittai , Sicat Chelsea S. , Marwin Scott , Meftah Morteza , Schwarzkopf Ran
Published: September 2022

Utilization of dual-mobility (DM) constructs has been a promising management option to address the risk of hip instability after complex revision total hip arthroplasty (rTHA). The aim of this study is to report a minimum 2-year outcome and survivorship of a monoblock DM cup cemented in a fully porous acetabular shell in complex acetabular rTHA cases. A retrospective review of 76 patients who underwent rTHA with a novel construct that utilized an inner DM cup cemented into a fully porous outer acetabular metal shell was conducted. Demographics, radiographic, and clinical outcomes such as readmissions, dislocation, and revisions were collected. Survivorship was analyzed by the Kaplan–Meier (KM) method. Thirty cases with a minimum of 2-year follow-up were included. Patients were, on average, 65.17 ± 10.26 years old with a mean body mass index of 28.55 ± 6.33 kg/m2. Seven patients (23.3%) required reoperations. Four patients underwent acetabular revision (periprosthetic joint infection: n = 2 [6.7%]; dislocation: n = 1 [3.3%]; aseptic loosening [fully porous cup]: n = 1[3.3%]). Three patients underwent reoperation without acetabular implant revision (debridement, antibiotics, and implant retention for prosthetic joint infection: n = 2 [6.7%]; femoral periprosthetic fracture: n = 1 [3.3%]). KM survivorship analysis of all-cause acetabular revision showed survival rates of 96.7% at 6 months, 93.3% at 1 year, and 89.7% at 2 years. KM survivorship of aseptic acetabular revision showed rates of 96.7% at 1 year and 92.9% at 2 years. KM analysis of acetabular cup fixation showed rates of 100% at 1 year and 96.2% at 2 years. The rate of dislocation in our cohort was 3.3% (1 out of 30). The use of a DM acetabular cup cemented into a fully porous acetabular revision shell in complex rTHA cases has a low risk of instability and loosening at 2 years with excellent mid-term implant survivorship. The use of this construct is a good option in patients with complex acetabular reconstruction and an elevated risk for instability. This was a retrospective cohort study with a level III evidence.
Incidental Findings in Low-Dose Full-Body Imaging Taken for Total Hip and Knee Arthroplasty
Authors: Lygrisse Katherine A. , Muthusamy Nishanth , Arraut Jerry , Singh Vivek , Meftah Morteza , Lin Dana J. , Schwarzkopf Ran
Published: September 2022

Detection of incidental findings (IFs) in preoperative imaging for total joint arthroplasty (TJA) patients may lead to additional testing, cost, and surgical delay. The purpose of this study is to identify the incidence and clinical significance of IFs on preoperative low-dose full-body imaging (LFI) in the total joint population. Furthermore, we aim to determine whether these findings lead to additional imaging, delay, or cancelation in TJA cases. A retrospective review of 2,183 patients planned for total hip arthroplasty or total knee arthroplasty, who had preoperative LFI imaging obtained from 2013 to 2020 was conducted. LFI radiographic reports were reviewed to identify any flagged radiographs. Flagged IFs were divided into thoracic, spinal, lower limb, and abdominal IFs. Charts were reviewed to identify if any additional imaging was completed, the case was delayed or canceled, or a new pathology requiring continued follow-up or treatment was discovered. Of the 2,183 LFI images taken prior to TJA, 41 cases qualified as having IF (1.9%, 41/2,183), 18 thoracic, 11 spinal, 11 lower limb, and 1 abdominal. Overall, 15 (0.7%, 15/2,183) IF cases were clinically determined to require at least one additional form of imaging. Two had a significant finding; a schwannoma near the distal femoral shaft and a squamous cell carcinoma of the lung. Three TJA cases were delayed, and no cases were cancelled due to the IFs. The possible increase in IF detection by preoperative LFI does not greatly impact TJA case completion. Though rare, providers should pay close attention as clinically significant IFs can be discovered and lead to early treatment. This was a retrospective cohort study with level III evidence.
Characteristic analysis of wideband beam monitor with high-frequency pickups
Authors: Suwada T.
Published: September 2022

The signal transmission characteristics of a wideband beam monitor (WBM) with feedthrough electrodes are discussed in the frequency region up to 13.5 GHz on the basis of a coupled-mode analysis using an equivalent circuit model with electromagnetically coupled transmission lines. It is demonstrated that in the signal transmission characteristics based on an electromagnetic induction method, electromagnetic couplings for fundamental and higher-order rf waves play an important role depending on the spatial configuration and geometrical structure of the electrodes mounted on the WBM with a cylindrical structure. The physical prospect in the calibration procedure of feedthrough electrodes is improved in terms of the signal transmission characteristics over the frequency region. In this report, the modal analyses and experimental investigations of the signal transmission characteristics in the WBM are described in detail. An alternative method of gain calibration for each electrode is also demonstrated.
Diffraction enhanced imaging utilizing a laser produced x-ray source
Authors: Oliver M. , Allen C. H. , Divol L. , Karmiol Z. , Landen O. L. , Ping Y. , Wallace R. , Schölmerich M. , Theobald W. , Döppner T. , White T. G.
Published: September 2022

Image formation by Fresnel diffraction utilizes both absorption and phase-contrast to measure electron density profiles. The low spatial and spectral coherence requirements allow the technique to be performed with a laser-produced x-ray source coupled with a narrow slit. This makes it an excellent candidate for probing interfaces between materials at extreme conditions, which can only be generated at large-scale laser or pulsed power facilities. Here, we present the results from a proof-of-principle experiment demonstrating an effective ∼2 μm laser-generated source at the OMEGA Laser Facility. This was achieved using slits of 1 × 30 μm2 and 2 × 40 μm2 geometry, which were milled into 30 μm thick Ta plates. Combining these slits with a vanadium He-like 5.2 keV source created a 1D imaging system capable of micrometer-scale resolution. The principal obstacles to achieving an effective 1 μm source are the slit tilt and taper—where the use of a tapered slit is necessary to increase the alignment tolerance. We demonstrate an effective source size by imaging a 2 ± 0.2 μm radius tungsten wire.
Bypassing backmapping: Coarse-grained electronic property distributions using heteroscedastic Gaussian processes
Authors: Maier J. Charlie , Jackson Nicholas E.
Published: September 2022

We employ deep kernel learning electronic coarse-graining (DKL-ECG) with approximate Gaussian processes as a flexible and scalable framework for learning heteroscedastic electronic property distributions as a smooth function of coarse-grained (CG) configuration. The appropriateness of the Gaussian prior on predictive CG property distributions is justified as a function of CG model resolution by examining the statistics of target distributions. The certainties of predictive CG distributions are shown to be limited by CG model resolution with DKL-ECG predictive noise converging to the intrinsic physical noise induced by the CG mapping operator for multiple chemistries. Further analysis of the resolution dependence of learned CG property distributions allows for the identification of CG mapping operators that capture CG degrees of freedom with strong electron–phonon coupling. We further demonstrate the ability to construct the exact quantum chemical valence electronic density of states (EDOS), including behavior in the tails of the EDOS, from an entirely CG model by combining iterative Boltzmann inversion and DKL-ECG. DKL-ECG provides a means of learning CG distributions of all-atom properties that are traditionally “lost” in CG model development, introducing a promising methodological alternative to backmapping algorithms commonly employed to recover all-atom property distributions from CG simulations.
On double-phase problems without any growth and Ambrosetti–Rabinowitz conditions
Authors: Ge Bin , Zhao Jin-Wei , Yuan Wen-Shuo
Published: September 2022

The aim of this paper is to establish the existence of nontrivial solutions for double-phase problem without any growth and Ambrosetti–Rabinowitz conditions. Employing the cutoff function approach, we show that the auxiliary problem has at least one nontrivial solution. Furthermore, we obtain nontrivial solutions for original problems using the Moser iteration method. The results presented here extend some recent contributions obtained for problems driven by the p-Laplacian or even to more general differential operators.
The thermally coupled imager: A scalable readout architecture for superconducting nanowire single photon detectors
Authors: McCaughan A. N. , Zhai Y. , Korzh B. , Allmaras J. P. , Oripov B. G. , Shaw M. D. , Nam S. W.
Published: September 2022

Although superconducting nanowire single-photon detectors (SNSPDs) are a promising technology for quantum optics, metrology, and astronomy, they currently lack a readout architecture that is scalable to the megapixel regime and beyond. In this work, we have designed and demonstrated such an architecture for SNSPDs, called the thermally coupled imager (TCI). The TCI uses a combination of time-of-flight delay lines and thermal coupling to create a scalable architecture that can scale to large array sizes, allows neighboring detectors to operate independently, and requires only four microwave readout lines to operate no matter the size of the array. We give an overview of how the architecture functions and demonstrate a proof-of-concept 32 × 32 imaging array. The array was able to image a free-space focused spot at 373 nm, count at 9.6 Mcps, and resolve photon location with greater than 99.83% distinguishability.
Flow and transport in a pleated filter
Authors: Fong Daniel , Sanaei Pejman
Published: September 2022

A pleated membrane filter consists of a porous membrane layer, which is surrounded by two supporting layers, and the whole structure is pleated and placed into a cylindrical cartridge. Pleated membrane filters are used in a variety of industrial applications, since they offer more surface area to volume ratio that is not found in equivalent flat filters. In this work, we introduce a novel three-dimensional model of a pleated membrane filter that consists of an empty region, a pleated region, and a hollow region. The advection diffusion equation is used to model contaminant concentration in the membrane pores along with Darcy's law to model the flow within the membrane and support layers, while the Stokes equation is used for the flow in the empty region and the hollow region. We further use the key assumptions of our model based on small aspect ratios of the filter cartridge and the pleated membrane to simplify the governing equations, which can be easily solved by numerical methods. By performing these steps, we seek to discover an optimal pleat packing density to find the optimum filter performance, while not exceeding a threshold for the particle concentration at the filter outlet.
Quasi-analytical resolution-correction of elastic neutron scattering from proteins
Authors: Hassani Abir N. , Stadler Andreas M. , Kneller Gerald R.
Published: September 2022

Elastic neutron scattering from proteins reflects the motional amplitudes resulting from their internal collective and single-atom dynamics and is observable if the global diffusion of whole molecules is either blocked or cannot be resolved by the spectrometer under consideration. Due to finite instrumental resolution, the measured elastic scattering amplitude always contains contaminations from quasielastic neutron scattering and some model must be assumed to extract the resolution-corrected counterpart from corresponding experimental spectra. Here, we derive a quasi-analytical method for that purpose, assuming that the intermediate scattering function relaxes with a “stretched” Mittag-Leffler function, Eα(−(t/τ)α) (0 < α < 1), toward the elastic amplitude and that the instrumental resolution function has Gaussian form. The corresponding function can be integrated into a fitting procedure and allows for eliminating the elastic intensity as a fit parameter. We illustrate the method for the analysis of two proteins in solution, the intrinsically disordered Myelin Basic Protein, confirming recently published results [Hassani et al., J. Chem. Phys. 156, 025102 (2022)], and the well-folded globular protein myoglobin. We also briefly discuss the consequences of our findings for the extraction of mean square position fluctuations from elastic scans.
Two-dimensional tellurium superstructures on Au(111) surfaces
Authors: Thupakula Umamahesh , Laha Priya , Lippertz Gertjan , Schouteden Koen , Netsou Asteriona-Maria , Seliverstov Aleksandr , Terryn Herman , Pereira Lino M. C. , Van Haesendonck Chris
Published: September 2022

Two-dimensional (2D) allotropes of tellurium (Te), recently coined as tellurene, are currently an emerging topic of materials research due to the theoretically predicted exotic properties of Te in its ultrathin form and at the single atomic layer limit. However, a prerequisite for the production of such new and single elemental 2D materials is the development of simple and robust fabrication methods. In the present work, we report three different 2D superstructures of Te on Au(111) surfaces by following an alternative experimental deposition approach. We have investigated the superstructures using low-temperature scanning tunneling microscopy and spectroscopy, Auger electron spectroscopy (AES), and field emission AES. Three superstructures (13 × 13, 8 × 4, and √11 × √11) of 2D Te are observed in our experiments, and the formation of these superstructures is accompanied by the lifting of the characteristic 23 × √3 surface reconstruction of the Au(111) surface. Scanning tunneling spectroscopy reveals a strong dependence of the local electronic properties on the structural arrangement of the Te atoms on the Au(111) support, and we observe superstructure-dependent electronic resonances around the Fermi level and below the Au(111) conduction band. In addition to the appearance of the new electronic resonances, the emergence of band gaps with a p-type charge character has been evidenced for two out of three Te superstructures (13 × 13 and √11 × √11) on the Au(111) support.
Communication: Electronic transition of the l–C6+ cation at 417 nm
Authors: Colley Jason E. , Orr Dylan S. , Duncan Michael A.
Published: September 2022

A new electronic transition is reported for the linear C6+ cation with an origin at 416.8 nm. This spectrum can be compared to the matrix isolation spectra at lower energies reported previously by Fulara et al. [J. Chem. Phys. 123, 044305 (2005)], which assigned linear and cyclic isomers, and to the gas phase spectrum reported previously by Campbell and Dunk [Rev. Sci. Instrum. 90, 103101 (2019)], which detected the same cyclic-isomer spectrum reported by Fulara. Comparisons to electronically excited states and vibrations predicted by various forms of theory allow assignment of the spectrum to a new electronic state of linear C6+. The spectrum consists of a strong origin band, two vibronic progression members at higher energy and four hot bands at lower energies. The hot bands provide the first gas phase information on ground state vibrational frequencies. The vibrational and electronic structure of C6+ provide a severe challenge to computational chemistry.
Geometrical design for pure current-driven domain wall nucleation and shifting
Authors: Osuna Ruiz D. , Alejos O. , Raposo V. , Martínez E.
Published: September 2022

Nucleation of domain walls by current-driving a single domain wall, confined to the junction area of two symmetrical strips, is investigated using systematic micromagnetic simulations. Secondary domain walls (equivalently, bits encoded in domains) are simultaneously nucleated and driven by alternatively applying current pulses between two terminals in the structure. Simulations show that nanosecond-duration current pulses nucleate and drive series of robust up/down domains even under realistic conditions. These results demonstrate a technique for sequentially nucleating and shifting domain walls without using attached external “bit lines,” fields, or modifying the ferromagnetic strip.
Convective and absolute instabilities in inclined buoyancy layers
Authors: Xiao Yue , Zhang Bin , Zhao Moli , Wang Shaowei
Published: September 2022

The linear instability of the buoyancy-driven flow adjacent to an inclined heated wall immersed in a thermally stratified medium is studied theoretically and numerically. For the temporally unstable system, spatiotemporal stability analysis is carried out to delineate the parameter space (Grashof number, Prandtl number, and tile angle) for convective/absolute instability. We provide an example of an absolute instability of the buoyancy layer on an inclined buoyancy layer. It is shown that the tile angle and Prandtl number have a dramatic influence on the spatial-temporal properties of the flow. For fixed Pr = 6.7, increasing tile angle decreases the domain of absolute instability, and when tile angle is greater than 20°, the absolute instability disappears. The flow will change from convectively unstable to absolutely unstable with the increase of Pr. Results from the direct numerical simulation are in agreement with the predictions of the linear temporal and spatial-temporal instabilities. These encouraging results should be helpful for understanding such a buoyancy-driven flow system.
Analytical, experimental, and numerical study of capillary rise dynamics from inertial to viscous flow
Authors: Shiri Yousef , Seyed Sabour Seyed Mohammad Javad
Published: September 2022

Fundamental understanding of capillary rise dynamics and precise evaluation of imbibition processes should be considered in many natural and industrial phenomena. In the presence of the capillary rise dynamics, it is obligatory to know the dominant forces. The assumptions considered to solve the capillary rise motion usually neglect specific forces, which limit the reliability of the derived solutions. In the present study, the dominant forces and regimes involved in the initial moments of the capillary rise imbibition process in a tube were investigated analytically, experimentally, and numerically. Analytical solutions available in the literature were discussed, and then, their validity was verified by comparing them to experimental observations and numerical results. Comparing the capillary rise behavior at the initial stages revealed significant differences between the theoretical models and the numerical lattice Boltzmann method. This behavior is attributed to simplify assumptions and ignore the entrance effect, dynamic contact angle, and the inertial term in the theoretical model. By removing these assumptions in numerical formulations, closer results to the experimental records were observed. In the present study, for the first time, capillary rise dynamics were divided into five steps: (1) a transition regime with h ∼ t2, (2) purely inertial (stage one) with h ∼ t, (3) viscous-inertial or crossover (stage two) with h ∼ log10(t), (4) purely viscous (stage three) with h ∼ t1/2, and (5) gravitational-viscous with constant h. It was known that stage one was purely dominated by the inertial forces, then the influence of viscosity increased (viscous-inertial flow), and finally, the effect of inertia faded and the flow became purely viscous and approached the Lucas–Washburn law.
Modeling of processing parameters for the cutting of rolled tungsten plates via abrasive water jet
Authors: Wang Yan , Wang Li , Zhang Xiyang
Published: September 2022

Tungsten is a promising candidate for plasma-facing material in tokamaks. This study aims at determining whether the cut-surface roughness of rolled tungsten plates (RTPs) can be improved using an abrasive water jet (AWJ) through tests combined with modeling of the cutting-process parameters. Based on the key factors affecting the cut-surface roughness, the magnitude and type of test factors were increased, compared with the previous study. A batch test was designed and conducted to investigate the use of an AWJ to cut an RTP and obtain more comprehensive sample data. In addition, the multivariate linear regression method was employed to establish a multivariate quadratic response surface regression model of the relationship between the cutting-process parameters and the cut-surface roughness based on the roughness sample data. Moreover, a backpropagation (BP) artificial neural network (ANN) model was developed based on the cutting-process parameters to predict the cut-surface roughness. The two models were compared and experimentally validated, which showed that the BP ANN model exhibits relatively high accuracy. Thus, the established model can help to improve cut-surface quality and cutting efficiency.
Neumann’s principle based eigenvector approach for deriving non-vanishing tensor elements for nonlinear optics
Authors: Wu Zishan , Xiong Wei
Published: September 2022

Physical properties are commonly represented by tensors, such as optical susceptibilities. The conventional approach of deriving non-vanishing tensor elements of symmetric systems relies on the intuitive consideration of positive/negative sign flipping after symmetry operations, which could be tedious and prone to miscalculation. Here, we present a matrix-based approach that gives a physical picture centered on Neumann’s principle. The principle states that symmetries in geometric systems are adopted by their physical properties. We mathematically apply the principle to the tensor expressions and show a procedure with clear physical intuition to derive non-vanishing tensor elements based on eigensystems. The validity of the approach is demonstrated by examples of commonly known second and third-order nonlinear susceptibilities of chiral/achiral surfaces, together with complicated scenarios involving symmetries such as D6 and Oh symmetries. We then further applied this method to higher-rank tensors that are useful for 2D and high-order spectroscopy. We also extended our approach to derive nonlinear tensor elements with magnetization, which is critical for measuring spin polarization on surfaces for quantum information technologies. A Mathematica code based on this generalized approach is included that can be applied to any symmetry and higher order nonlinear processes.
Uncoupling the Hsp90 and DnaK chaperone activities revealed the in vivo relevance of their collaboration in bacteria
Authors: Corteggiani Marie , Bossuet-Greif Nadège , Nougayrède Jean-Philippe , Byrne Deborah , Ilbert Marianne , Dementin Sébastien , Giudici-Orticoni Marie-Thérèse , Méjean Vincent , Oswald Eric , Genest Olivier
Published: September 2022

Chaperone proteins are essential in all living cells to ensure protein homeostasis. Hsp90 is a major adenosine triphosphate (ATP)-dependent chaperone highly conserved from bacteria to eukaryotes. Recent studies have shown that bacterial Hsp90 is essential in some bacteria in stress conditions and that it participates in the virulence of pathogenic bacteria. In vitro, bacterial Hsp90 directly interacts and collaborates with the Hsp70 chaperone DnaK to reactivate model substrate proteins; however, it is still unknown whether this collaboration is relevant in vivo with physiological substrates. Here, we used site-directed mutagenesis on Hsp90 to impair DnaK binding, thereby uncoupling the chaperone activities. We tested the mutants in vivo in two bacterial models in which Hsp90 has known physiological functions. We found that the Hsp90 point mutants were defective to support (1) growth under heat stress and activation of an essential Hsp90 client in the aquatic bacterium
Shewanella oneidensis
and (2) biosynthesis of the colibactin toxin involved in the virulence of pathogenic
Escherichia coli
. Our study therefore demonstrates the essentiality of the direct collaboration between Hsp90 and DnaK in vivo in bacteria to support client folding. It also suggests that this collaboration already functional in bacteria has served as an evolutionary basis for a more complex Hsp70–Hsp90 collaboration found in eukaryotes.
Diversity oriented clicking delivers β-substituted alkenyl sulfonyl fluorides as covalent human neutrophil elastase inhibitors
Authors: Cheng Yunfei , Li Gencheng , Smedley Christopher J. , Giel Marie-Claire , Kitamura Seiya , Woehl Jordan L. , Bianco Giulia , Forli Stefano , Homer Joshua A. , Cappiello John R. , Wolan Dennis W. , Moses John E. , Sharpless K. Barry
Published: September 2022

Diversity Oriented Clicking (DOC) is a discovery method geared toward the rapid synthesis of functional libraries. It combines the best attributes of both classical and modern click chemistries. DOC strategies center upon the chemical diversification of core “SuFExable” hubs—exemplified by 2-Substituted-Alkynyl-1-Sulfonyl Fluorides (SASFs)—enabling the modular assembly of compounds through multiple reaction pathways. We report here a range of stereoselective Michael-type addition pathways from SASF hubs including reactions with secondary amines, carboxylates, 1
H
-1,2,3-triazole, and halides. These high yielding conjugate addition pathways deliver unprecedented β-substituted alkenyl sulfonyl fluorides as single isomers with minimal purification, greatly enriching the repertoire of DOC and holding true to the fundamentals of modular click chemistry. Further, we demonstrate the potential for biological function – a key objective of click chemistry – of this family of SASF-derived molecules as covalent inhibitors of human neutrophil elastase.
Natural band alignment of BAlN and BGaN alloys
Authors: Ota Yuichi , Imura Masataka , Banal Ryan G , Koide Yasuo
Published: September 2022

The natural band alignment of BAlN and BGaN alloys was investigated using the atomic solid-state energy scale approach. The band edge positions relative to the vacuum level were determined for BAlN and BGaN alloys, and the band offset values for each heterostructure were estimated. The results suggest that the natural band alignment of BAlN and BGaN alloys behaves according to the common anion rule. Further, the Schottky barrier height (SBH) was calculated based on the results of band alignment for BAlN and BGaN alloys. The predicted SBH values are expected to be an important guideline for boron nitride and its related alloy device design.
Enhanced production of hydroxyl radicals in plasma-treated water via a negative DC bias coupling
Authors: Lee Seungjun , Lee Jimo , Nam Woojin , Yun Gunsu
Published: September 2022

Hydroxyl radical (OH•) plays an important role in advanced oxidation processes (AOPs), which are employed to decompose organic pollutants in wastewater treatment. OH• is predominantly produced in AOPs for wastewater treatment via ultraviolet photolysis of hydrogen peroxide (H2O2) or ozone, which is a costly and difficult process. This paper introduces an enhanced OH• production method based on microwave-driven atmospheric pressure plasma with negatively biased water. Fluorescence analysis using terephthalic acid and 2-hydroxyterephthalic acid showed that the OH• concentration in a DC coupled plasma-treated water (PTW) can be increased by 1–2 orders of magnitude compared to the case with microwave plasma only. In addition, we found that there exists an optimal concentration of H2O2 in PTW for the ideal production of OH•. As a test case of AOPs, an Fe(III)-ethylenediaminetetraacetic acid solution containing H2O2 was treated with a DC coupled plasma for 10 min, and more than 80% decomposition was recorded.
Nuclear DFT analysis of electromagnetic moments in odd near doubly magic nuclei
Authors: Sassarini P L , Dobaczewski J , Bonnard J , Ruiz R F Garcia
Published: September 2022

We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic axial-symmetry axis with broken time-reversal symmetry, which allows us to explore fully the self-consistent charge, spin, and current polarisation. Spectroscopic moments are determined for symmetry-restored wave functions and compared with available experimental data. We find that the obtained polarisations do not call for using quadrupole- or dipole-moment operators with effective charges or effective g-factors.
An improved two-stream compression convolution network for rolling bearing fault diagnosis
Authors: Jin Hailong , Ma Wuxu , Meng Zong , Sun Dengyun , Cao Wei , Fan Fengjie
Published: September 2022

The timely and accurate fault diagnosis of rolling bearings plays a vital role in ensuring the safe and reliable operation of many complex mechanical systems. However, most of the existing rolling bearing fault diagnosis models have complex structures, need a large number of samples, and cannot fully use the information contained in the signal. Based on these problems, an intelligent method for detecting and identifying rolling bearing faults is proposed based on an improved two-stream compression convolution network. The proposed method has a compact structure and powerful feature extraction capability, which consists of two modules. One adopts depthwise separable convolution and squeeze and excitation network, named DSCSE, which can fully extract the spatial features and greatly reduce the number of parameters. The other utilizes a one-dimensional convolutional neural network and spatial dropout mechanism, named 1DCNNSD, which can efficiently extract the temporal features and reduce model complexity. Meanwhile, to reduce the loss of information contained in the signal when the linear rectification unit is under negative input, the improved ReLU is designed. Numerous experiments demonstrate that the novel approach has higher accuracy, better generalization performance, and robustness than other methods under small samples.
Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique
Authors: Touati Michaël , Codur Romain , Tsung Frank , Decyk Viktor K , Mori Warren B , Silva Luis O
Published: September 2022

We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.
Study of anisotropy of convective optical underwater turbulence and the effect of the mean water temperature in the presence of a varying temperature gradient on it
Authors: Mohammadi Razi Ebrahim , Shokoohi Reza , Rasouli Saifollah
Published: September 2022

In this paper, the anisotropy of optical convective underwater turbulence is investigated in terms of the variance of angle of arrival (AOA) fluctuations of a narrow laser beam propagating through it in different sections of the medium. The collimated laser beam with a wavelength 532 nm and a diameter 1 cm, which passes through a convective underwater turbulence. The turbulence is generated in a water tank with dimensions of 20 cm × 36 cm × 20 cm, which is installed on a flat surface electrical heater. During the experiments, the mean water temperature (MWT) can be changed from room temperature to 34 ∘C by increasing the heater temperature. The use of the heater also generates a temperature gradient in the medium. The laser beam propagates along a horizontal path with a length of 20 cm inside the tank at different altitudes from the heater source, as well as at different distances from one of the side walls of the turbulent medium. After passing the laser beam through the turbulent medium, the fluctuations of the AOA components in the vertical and horizontal directions are measured. From the time series of the measured AOA fluctuations, their variances are determined. The anisotropy of the medium is investigated by comparing the variance of AOA components measured in the vertical and horizontal directions. We show that the variances of both of vertical and horizontal components of the AOA fluctuations are increased with the MWT, and they are saturated at higher MWTs. In addition, different anisotropic behaviors are observed for the variances of the measured AOA fluctuations at the vicinity of the lateral wall and upper surface of the water. At the vicinity of the lateral wall the variances of the AOA fluctuations in the horizontal component are larger, but at the vicinity of the upper surface the variances of the AOA fluctuations in the vertical component are dominant. This behavior may be caused by the change of the convection motion direction in the turbulent fluid.
Evolution of Galaxy Types and H i Gas in Hickson Compact Groups
Authors: Liu Yao , Zhu Ming
Published: September 2022

Compact groups have high galaxy densities and low velocity dispersions, and their group members have experienced numerous and frequent interactions during their lifetimes. They provide a unique environment to study the evolution of galaxies. We examined the galaxies types and H i contents in groups to make a study on the galaxy evolution in compact groups. We used the group crossing time as an age indicator for galaxy groups. Our sample is derived from the Hickson Compact Group catalog. We obtained group morphology data from the Hyper-Leda database and the IR classification based on Wide-Field Infrared Survey Explorer fluxes from Zucker et al. By cross-matching the latest released ALFALFA 100% H i source catalog with supplement by data found in literature, we obtained 40 galaxy groups with H i data available. We confirmed that the weak correlation between H i mass fraction and group crossing time found by Ai & Zhu in SDSS groups also exists in compact groups. We also found that the group spiral galaxy fraction is correlated with the group crossing time, but the actively star-forming galaxy fraction is not correlated with the group crossing time. These results seem to fit with the hypothesis that the sequential acquisition of neighbors from surrounding larger-scale structures has affected the morphology transition and star formation efficiency in compact groups.
Comparison of Power Efficient Inverter Circuit using adiabatic technique
Authors: Goel Mohit Kumar , Bharti Supriya , Kumar Parveen , Dandotiya Suman , Pal Abhishek , Tripathi Divyank
Published: September 2022

The power decadence in conventional CMOS (Complementary Metal oxide Semiconductor) circuit can be diminished by utilizing adiabatic method. Working of Adiabatic logic depends on switching activities, which diminishes the power by giving energy dissipated as heat back to supply. Adiabatic word has come from thermodynamic framework which says that no heat transfer take place from framework to climate as well as the other way around. Adiabatic logic is well known as energy recovery logic because its main objective is to reuse energy. It reuses the energy back to the power supply along the lines diminishing the power dissipation. Adiabatic procedures depend on adiabatic logic guideline. Anu Priya has propose the technique in 2014 [3], of adiabatic procedure where energy dissipation in PMOS organization can be limited and some of energy dissipated at load capacitance can be reused rather than dispersed as heat. Yet, the adiabatic method is exceptionally reliant upon parameter variation. Expecting completely adiabatic activity from a circuit is practically not possible as it is an ideal condition, also adiabatic technology is highly dependent on parameter variations so it’s quite difficult to achieve and ideal adiabatic circuit. It could be just accomplished with extremely sluggish exchanging speed. In examination, three logic families, ECRL (Efficient Charge Recovery Logic), PFAL (Positive Feedback Adiabatic Logic) and CPAL (Complementary Pass Transistor Adiabatic Logic) are contrasted and conventional CMOS logic for inverter circuit. MICROWIND technology is used while investigating different adiabatic circuits; energy utilization is broke down by variety of parameter. Result shows that adiabatic strategy is better decision in case of underpowered application in explicit frequency range.
High Performance Mixed Logic Decoders using MOS like GNRFET in 22nm Technology
Authors: Arora Sneha , Tripathi Suman Lata
Published: September 2022

Graphene nano ribbon field effect transistor is an emerging field of research in VLSI technology beyond 32nm. VLSI main motive is to reduce power consumption and other parameters such as delay, PDP (power delay product) to improve the efficiency. This article discusses the requirement for high-performance applications that use little power. However, employing low-power devices for high-rank applications such as microprocessors, digital signal processors, and static random-access memory (SRAM) is very challenging. In the field of memory design and logical circuit design, it is well recognised that the Decoder plays a crucial role. As part of the planned work in 22nm technology, a technique has been developed for evaluating the parameters Power delay product, Energy delay product, Power consumption, and Delay on 14T and 15T based employing 2 to 4 decoders based on MOSFET and GNRFET. So, the final proposed circuit is obtained by application of decoders with the use of GNRFET while improving the performance parameters.
Influence of fabrication parameters and optimization of supercapacitor – A simulation analysis
Authors: Yaquin Haziqul , Raam Dheep G
Published: September 2022

To develop comparative understanding on recent model of supercapacitor for various parameter values. The different parameters addressed here are performance variables of supercapacitor. Greenhouse gas emission mitigation, waste minimization and green technologies are need of hour. Conclusively environment protection is essential now for sustainability of life. This paper focuses on how effectively simulation software called MATLAB-Simulink be used to develop optimized model of supercapacitor before fabricating the real device.
Wireless sensor networks for forest fire monitoring: Issues and Challenges
Authors: Salaria Anshika , Singh Amandeep , Sharma Kamal Kumar
Published: September 2022

Forest fires have recently been the most critical issue faced by the world. The huge environmental, economic, and societal damages caused by wildfires are hindrances to social development. The increasing figures of such instances since the last few years make it the need of the hour to start considering it on priority and take appropriate actions. For this, intense knowledge is required about the nature of forest fires, their causes and appropriate technology to be used. Wireless sensor networks have always been a preferable technology in such kind of disaster management and environmental monitoring scenarios. However, there are yet some prominent issues that affect the overall performance of wireless sensor networks, especially in harsh terrains like forests. In this paper, information has been provided about the causes, damages and aftereffects of forest fires. Moreover, a study has been conducted on various articles highlighting the issues and challenges being faced in wireless sensor networks. The paper further provides a simple and easily understandable analysis highlighting the types and priority of challenges. This would benefit the researchers in identifying the current research gaps in the field of wireless sensor networks, especially in applications like forest fire monitoring or environmental monitoring and disaster management.
Charbonnier-Marchaud Based Fractional Variational Model for Motion Estimation in Multispectral Vision System
Authors: Kumar Pushpendra , Khan Muzammil
Published: September 2022

As we are aware that motion estimation is an active and challenging area of vision system, which leads to the applications of computer vision. In general, motion detection and tracking in the image sequence (video) is carried out based on optical flow. In the recent-past, researchers have made a significant contribution to the estimation of optical flow through integer order-based variational models, but these are limited to integer order differentiation. In this paper, a nonlinear modeling of fractional order variational model in optical flow estimation is introduced using the Charbonnier norm, which can be scaled to integer order L
1-norm. In particular, the variational functional is formulated by the inclusion of a non-quadratic penalty term, regularization term and the Marchaud’s fractional derivative. This non-quadratic penalty provides effective robustness against outliers, whereas the Marchaud’s fractional derivative possesses a non-local character, and therefore is capable to deal with discontinuous information about texture and edges, and yields a dense flow field. The numerical discretization of the Marchaud’s fractional derivative is employed with the help of Grünwald–Letnikov fractional derivative. The resulting nonlinear system is converted into a linear system and solved by an efficient numerical technique. Several experiments are performed over a spectrum of datasets. The robustness and accuracy of the proposed model are shown under different amounts of noise and through detailed comparisons with the recently published works.