bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient mechanical modulation of the phonon thermal conductivity of Mo6S6 nanowires
Authors: Xu Ke , Deng Shichen , Liang Ting , Cao Xuezheng , Han Meng , Zeng Xiaoliang , Zhang Zhisen , Yang Nuo , Wu Jianyang
Published: January 2022

Mo6S6 nanowires are emerging as key building blocks for flexible devices and are competitive with carbon nanotubes due to easier separation and functionalization.
A Zn(ii)-functionalized COF as a recyclable catalyst for the sustainable synthesis of cyclic carbonates and cyclic carbamates from atmospheric CO2
Authors: Sarkar Somnath , Ghosh Swarbhanu , Islam Sk. Manirul
Published: January 2022

This study emphasizes the utility of a Zn(ii)-functionalized COF in developing a heterogeneous recyclable catalytic system for the generation of cyclic carbonates (up to 99% yield) and cyclic carbamates (up to 94% yield) under sustainable conditions.
A CdS/MnS p–n heterojunction with a directional carrier diffusion path for efficient photocatalytic H2 production
Authors: Zhang Hao , Feng Qi , Zhang Yue , Zhang Jin , Wu Xiongtao , Li Yanlei , Yin Lixiong , Huang Jianfeng , Kong Xingang
Published: January 2022

A CdS/MnS p–n heterojunction is prepared. The H2 production rate is 5.92 mmol g−1 h−1 with the apparent quantum efficiency of 5.63% at 420 nm, which is 10.57 times and 49.33 times higher than that of CdS nanorods and MnS, respectively.
Antiviral activities of natural compounds and ionic liquids to inhibit the Mpro of SARS-CoV-2: a computational approach
Authors: Palanisamy Kandhan , Rubavathy S. M. Esther , Prakash Muthuramalingam , Thilagavathi Ramasamy , Hosseini-Zare Maryam S. , Selvam Chelliah
Published: January 2022

The selected natural compounds NP-Hit2, NP-Hit3 and cholinium-based ILs exhibit potential antiviral activity against Mpro of SARS-CoV-2.
An organic–inorganic hybrid K2TiF6 : Mn4+ red-emitting phosphor with remarkable improvement of emission and luminescent thermal stability
Authors: Yu Yan , Wang Lin , Deng Daishu , Zhong Xue , Qiang Jiawei , Wang Tianman , Wu Chunxiang , Liao Sen , Huang Yingheng
Published: January 2022

KTF : MEAH+, Mn4+ exhibits good luminescent thermal stability at high temperatures, and the maximum integrated PL intensity at 150 °C is 2.34 times the initial value at 30 °C.
Interactions between conducting surfaces in salt solutions
Authors: Stenberg Samuel , Woodward Clifford E. , Forsman Jan
Published: January 2022

In this work, we simulate interactions between two perfectly conducting surfaces, immersed in a salt solution.
Rational and site-selective formation of coordination polymers consisting of d10 coinage metal ions with thiolate ligands using a metal ion-doped polymer substrate
Authors: Tsuruoka Takaaki , Miyashita Yuri , Yoshino Ryuki , Fukuoka Myu , Hirao Shoya , Takashima Yohei , Demessence Aude , Akamatsu Kensuke
Published: January 2022

We report an interfacial approach for fabricating coordination polymer (CP) crystal films and patterns on a polymer surface using a metal ion-doped polymer substrate.
Co-evolution of drug resistance and broadened substrate recognition in HIV protease variants isolated from an Escherichia coli genetic selection system
Authors: Koivisto Johanna Maarit , Poulsen Nina Rødtness , Larsen Benedikte Stoklund , Weibull M.G.M. , Stein Amelie , Doro Fabio , Winther Jakob Rahr , Lindorff-Larsen Kresten , Willemoës Martin
Published: January 2022

A genetic selection system for activity of HIV protease is described that is based on a synthetic substrate constructed as a modified AraC regulatory protein that when cleaved stimulate l-arabinose metabolism in an Escherichia coli araC strain. Growth stimulation on selective plates was shown to depend on active HIV protease and the scissile bond in the substrate. In addition, the growth of cells correlated well with the established cleavage efficiency of the sites in the viral polyprotein, Gag, when these sites were individually introduced into the synthetic substrate of the selection system. Plasmids encoding protease variants selected based on stimulation of cell growth in the presence of saquinavir or cleavage of a site not cleaved by wild-type protease, were indistinguishable with respect to both phenotypes. Also, both groups of selected plasmids encoded side chain substitutions known from clinical isolates or displayed different side chain substitutions but at identical positions. One highly frequent side chain substitution, E34V, not regarded as a major drug resistance substitution was found in variants obtained under both selective conditions and is suggested to improve protease processing of the synthetic substrate. This substitution is away from the substrate-binding cavity and together with other substitutions in the selected reading frames supports the previous suggestion of a substrate-binding site extended from the active site binding pocket itself.
Lassa virus glycoprotein complex review: insights into its unique fusion machinery
Authors: Pennington Hallie N. , Lee Jinwoo
Published: January 2022

Lassa virus (LASV), an arenavirus endemic to West Africa, causes Lassa fever—a lethal hemorrhagic fever. Entry of LASV into the host cell is mediated by the glycoprotein complex (GPC), which is the only protein located on the viral surface and comprises three subunits: glycoprotein 1 (GP1), glycoprotein 2 (GP2), and a stable signal peptide (SSP). The LASV GPC is a class one viral fusion protein, akin to those found in viruses such as human immunodeficiency virus (HIV), influenza, Ebola virus (EBOV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). These viruses are enveloped and utilize membrane fusion to deliver their genetic material to the host cell. Like other class one fusion proteins, LASV-mediated membrane fusion occurs through an orchestrated sequence of conformational changes in its GPC. The receptor-binding subunit, GP1, first engages with a host cell receptor then undergoes a unique receptor switch upon delivery to the late endosome. The acidic pH and change in receptor result in the dissociation of GP1, exposing the fusion subunit, GP2, such that fusion can occur. These events ultimately lead to the formation of a fusion pore so that the LASV genetic material is released into the host cell. Interestingly, the mature GPC retains its SSP as a third subunit—a feature that is unique to arenaviruses. Additionally, the fusion domain contains two separate fusion peptides, instead of a standard singular fusion peptide. Here, we give a comprehensive review of the LASV GPC components and their unusual features.
Acanthopanax senticosus total flavonoids alleviate lipopolysaccharide-induced intestinal inflammation and modulate the gut microbiota in mice
Authors: Wang Xiaoya , Zhang Xinyu , Su Jianqing , Chu Xiuling
Published: January 2022

Here, we study the therapeutic effect of Acanthopanax senticosus total flavonoids (ASTFs) using a mouse intestinal inflammation model. The inflammation model used in the present study was developed through lipopolysaccharide (LPS) treatment of mice. The experimental mice were divided into a control group, model group (10 mg/kg LPS), dexamethasone group (1 mg/kg DEX) and ASTF low-, medium- and high-dosage groups (200, 400 and 800 mg/kg, respectively). The morphological and structural changes in the ileum, jejunum and duodenum were observed using HE staining. The number of intestinal goblet cells (GCs) was calculated based on PAS staining. The contents of interleukin (IL)-1β, IL-6, prostaglandin E2 (PGE2) and tumor necrosis factor α (TNF-α) were determined using enzyme-linked immunosorbent assay (ELISA) and the related mRNA expression level were measured by RT-PCR. The protein expression levels of Toll-like receptor 4 (TLR4), MyD88, p65 and p-p65 were measured using Western blotting. In addition, the 16S rRNA sequences of bacterial taxa were amplified and analyzed to assess changes in the intestinal microbes of LPS-induced mice and also in response to regulation by ASTF. Following intervention with ASTF, different therapeutic effects were shown according to the various dosages tested, all of which resulted in improved intestinal morphology and an increased number of intestinal GCs, while the contents of IL-1β, IL-6, PGE2 and TNF-α and the related mRNA expression level were significantly reduced. The TLR4, MyD88 and p-p65/p-65 protein expression levels were also significantly reduced. In addition, 16S rRNA sequencing results show that LPS disrupts the structure of mouse gut microbes, though we observed that normal microbial status can be restored through ASTF intervention.
An improved Monte Carlo localization using optimized iterative closest point for mobile robots
Authors: Ying Wenjian , Sun Shiyan
Published: January 2022

This paper details a solution of fusing combination features, Iterative Closest Point (ICP) and Monte Carlo algorithm, in order to solve the problem that mobile robot positioning is easy to fail in a dynamic environment. Firstly, an ICP algorithm based on the maximum common combination feature is proposed to provide a more stable observation point information and therefore avoids the problem of local extremes and obtains more accurate matching results. A novel proposal distribution is then designed and auxiliary particles are used, so that the particle sets are distributed in high‐observational areas closer to the true posterior probability of the state. Finally, the experimental results on the public datasets show that the proposed algorithm is more accurate in these environments.
Applying a decision model based on multiple criteria decision making methods to evaluate the influence of digital transformation technologies on enterprise architecture principles
Authors: Hannemann Izabelle , Rodrigues Sarah , Loures Eduardo , Deschamps Fernando , Cestari Jose
Published: January 2022

Organisations all over the world are going through the process of digital transformation (DT). Enterprise Architecture (EA) is a method and an organising principle that aligns the business's objectives and strategies with the Information Technology strategy and execution plan. EA provides a guide to direct the evolution and transformation of enterprises with technology. The EA principles are one of the key concepts in the definition of EA; they assist in recognizing the organization vision and validating the outcomes. However, the lack of adequate instruments for assessing the current state and identifying opportunities for EA management procedures improvement often leave organisations unsure of where to begin improving their procedures. The aim of this paper is to help organisations identify these improvement opportunities. To do so, a decision model was developed to evaluate the influence DT technologies have on the EA principles proposed by The Open Group Architecture Framework (TOGAF). A literature review was conducted, and five main DT Technologies applied in the EA scope were identified. With that, a decisional model was created based on two decision‐making methods called Decision‐Making Trial and Evaluation Laboratory and PROMETHEE. The 21 architecture principles proposed by TOGAF were evaluated and the influence the technologies exercised on the principles were identified. As a result, Big Data and Cloud Computing technologies were indicated as having the greatest effect over the analysed principles, therefore concluding that when applied in the EA scope, these technologies can help organisations improve their EA procedures.
Experimentation framework for wireless communication systems under jamming scenarios
Authors: Jacovic Marko , Liston Michael J. , Pano Vasil , Mainland Geoffrey , Dandekar Kapil R.
Published: January 2022

Cyber‐physical systems (CPS) integrate control, sensing, and processing into interconnected physical components to support applications within transportation, energy, healthcare, environment, and various other areas. Secure and reliable wireless communication between devices is necessary to enable the widespread adoption of these emerging technologies. Cyber‐physical systems devices must be protected against active threats, such as Radio Frequency (RF) Jammers, which intentionally disrupt communication links. Jamming detection and mitigation techniques must be evaluated extensively to validate algorithms prior to full implementation. Challenges related to obtaining zoning permits, Federal Aviation Administration (FAA) pilot certification for Unmanned Aerial Vehicles (UAVs), and Federal Communications Commission (FCC) licencing lead to evaluation limited to simulation‐based or simplistic, non‐representative hardware experimentation. A site‐specific ray‐tracing emulation framework is presented to provide a realistic evaluation of communication devices under RF jamming attacks in complex scenarios involving mobility, vehicular, and UAV systems. System architecture and capabilities are provided for the devices under test, real‐world jamming adversaries, channel modelling, and channel emulation. Case studies are provided to demonstrate the use of the framework for different applications and jamming threats. The experimental results illustrate the benefit of the ray‐tracing emulation system for conducting complex wireless communication studies under the presence of RF jamming.
Toward a multidimensional analysis of transmission spectroscopy
Authors: Falco Aurélien , Zingales Tiziano , Pluriel William , Leconte Jérémy
Published: January 2022

Considering the relatively high precision that will be reached by future observatories, it has recently become clear that one dimensional (1D) atmospheric models, in which the atmospheric temperature and composition of a planet are considered to vary only in the vertical, will be unable to represent exoplanetary transmission spectra with a sufficient accuracy. This is particularly true for warm to (ultra-) hot exoplanets because the atmosphere is unable to redistribute all the energy deposited on the dayside, creating a strong thermal and often compositional dichotomy on the planet. This situation is exacerbated by transmission spectroscopy, which probes the terminator region. This is the most heterogeneous region of the atmosphere. However, if being able to compute transmission spectra from 3D atmospheric structures (from a global climate model, e.g.) is necessary to predict realistic observables, it is too computationally expensive to be used in a data inversion framework. For this reason, there is a need for a medium-complexity 2D approach that captures the most salient features of the 3D model in a sufficiently fast implementation. With this in mind, we present a new open-source documented version of Pytmosph3R that handles the computation of transmission spectra for atmospheres with up to three spatial dimensions and can account for time variability. Taking the example of an ultrahot Jupiter, we illustrate how the changing orientation of the planet during the transit can allow us to probe the horizontal variations in the atmosphere. We further implement our algorithm in TauREx to allow the community to perform 2D retrievals. We describe our extensive cross-validation benchmarks and discuss the accuracy and numerical performance of each model.
A CO isotopologue Line Atlas within the Whirlpool galaxy Survey (CLAWS)
Authors: den Brok Jakob S. , Bigiel Frank , Sliwa Kazimierz , Saito Toshiki , Usero Antonio , Schinnerer Eva , Leroy Adam K. , Jiménez-Donaire María J. , Rosolowsky Erik , Barnes Ashley T. , Puschnig Johannes , Pety Jérôme , Schruba Andreas , Bešlić Ivana , Cao Yixian , Eibensteiner Cosima , Glover Simon C. O. , Klessen Ralf S. , Diederik Kruijssen J. M. , Meidt Sharon E. , Neumann Lukas , Tomičić Neven , Pan Hsi-An , Querejeta Miguel , Watkins Elizabeth , Williams Thomas G. , Wilner David
Published: January 2022

We present the CO isotopologue Line Atlas within the Whirpool galaxy Survey (CLAWS), which is based on an IRAM 30 m large programme that provides a benchmark study of numerous faint CO isotopologues in the millimetre-wavelength regime across the full disc of the nearby grand-design spiral galaxy M 51 (NGC 5194). The survey’s core goal is to use the low-J CO isotopologue lines to constrain CO excitation and chemistry, and therefrom the local physical conditions of the gas. In this survey paper, we describe the CLAWS observing and data reduction strategies. We map the J = 1 → 0 and 2 → 1 transitions of the CO isotopologues 12CO, 13CO, C18O, and C17O, as well as several supplementary lines within the 1 mm and 3 mm window (CN(1-0), CS (2-1), CH3OH(2-1), N2H+ (1–0), and HC3N (10–9)) at ~1 kpc resolution. A total observation time of 149 h offers unprecedented sensitivity. We use these data to explore several CO isotopologue line ratios in detail, study their radial (and azimuthal) trends, and investigate whether changes in line ratios stem from changes in interstellar medium properties such as gas temperatures, densities, or chemical abundances. For example, we find negative radial trends for the 13CO/12CO, C18O/12CO, and C18O/13CO line ratios in their J = 1 → 0 transitions. We also find variations with the local environment, such as higher 12CO (2–1)/(1–0) or 13CO/12CO (1-0) line ratios in interarm regions compared to spiral arm regions. We propose that these aforementioned variations in CO line ratios are most likely due to a variation in the optical depth, though abundance variations due to selective nucleosynthesis on a galaxy-wide scale could also play a role. We also study the CO spectral line energy distribution (SLED) using archival JCMT 12CO (3–2) data and find a variation in the SLED shape with local environmental parameters, suggesting changes in the optical depth, gas temperatures, or densities.
Anisotropic nonthermal motions in the transition region of solar active regions
Authors: Mou Chaozhou , Peter Hardi , Xia Lidong , Huang Zhenghua
Published: January 2022

Context. We study the nonthermal motions in the transition region of active regions (ARs) using center-to-limb observations of Si IV 1394 Å and 1403 Å lines.

Aims. The aim of this study is to investigate the characteristics of nonthermal motions in the transition region of ARs using the center-to-limb measurement.

Methods. We used Interface Region Imaging Spectrograph (IRIS) observations of the Si IV doublet lines 1393.78 Å and 1402.77 Å from the transition region of ARs to analyze nonthermal motions. We compared our analyzed data to similar data for the quiet Sun (QS) regions. We derive the nonthermal width by performing a single Gaussian fitting on the average spectral line profiles of Si IV doublet lines. We carried out a statistical analysis of the nonthermal width using the center-to-limb measurement.

Results. We find that the nonthermal motions are clearly decreasing on the disk with increasing distance from disk center. Only close to the limb, clearly beyond μ = 0.4, does the nonthermal broadening increase again towards the limb. The decrease in the nonthermal broadening in ARs away from disk center is markedly different from what is seen in the QS.

Conclusions. We conclude that nonthermal motions are anisotropic in ARs, with the vertical component being greater than the horizontal one. In contrast, we find the situation in the QS to be consistent with the findings of previous studies; only opacity effects are responsible for the increase in the nonthermal widths towards the limb, and nonthermal motions are isotropic in the QS.
Necessary and sufficient conditions for the nonincrease of scalar functions along solutions to constrained differential inclusions
Authors: Maghenem Mohamed , Melis Alessandro , Sanfelice Ricardo G.
Published: January 2022

In this paper, we propose necessary and sufficient conditions for a scalar function to be nonincreasing along solutions to general differential inclusions with state constraints. The problem of determining if a function is nonincreasing appears in the study of stability and safety, typically using Lyapunov and barrier functions, respectively. The results in this paper present infinitesimal conditions that do not require any knowledge about the solutions to the system. Results under different regularity properties of the considered scalar function are provided. This includes when the scalar function is lower semicontinuous, locally Lipschitz and regular, or continuously differentiable.
Recent developments in mitochondrial medicine (part 2)
Authors: Weissig Volkmar , Edeas Marvin
Published: January 2022

Called “bioblasts” in 1890, named “mitochondria” in 1898, baptized in 1957 as the “powerhouse of the cell” and christened in 1999 as the “motor of cell death”, mitochondria have been anointed in 2017 as “powerhouses of immunity”. In 1962, for the first time a causal link between mitochondria and human diseases was described, the genetic basis for which was revealed in 1988. The term “mitochondrial medicine” was coined in 1994. Research into mitochondria has been conducted ever since light microscopic studies during the end of the 19th century revealed their existence. To this day, new discoveries around this organelle and above all new insights into their fundamental role for human health and disease continue to surprise. Nowadays hardly any disease is known for which either the etiology or pathogenesis is not associated with malfunctioning mitochondria. In this second part of our review about recent developments in mitochondrial medicine we continue tracking and highlighting selected lines of mitochondrial research from their beginnings up to the present time. Mainly written for readers not familiar with this cell organelle, we hope both parts of our review will substantiate what we articulated over a decade ago, namely that the future of medicine will come through better understanding of the mitochondrion.
Aerobic Adaptations to Resistance Training: The Role of Time under
Tension
Authors: Mang Zachary Aaron , Ducharme Jeremy B. , Mermier Christine , Kravitz Len , de Castro Magalhaes Flavio , Amorim Fabiano
Published: January 2022

Generally, skeletal muscle adaptations to exercise are perceived through a
dichotomous lens where the metabolic stress imposed by aerobic training leads to
increased mitochondrial adaptations while the mechanical tension from resistance
training leads to myofibrillar adaptations. However, there is emerging evidence
for cross over between modalities where aerobic training stimulates traditional
adaptations to resistance training (e.g., hypertrophy) and resistance training
stimulates traditional adaptations to aerobic training (e.g., mitochondrial
biogenesis). The latter is the focus of the current review in which we propose
high-volume resistance training (i.e., high time under tension) leads to aerobic
adaptations such as angiogenesis, mitochondrial biogenesis, and increased
oxidative capacity. As time under tension increases, skeletal muscle energy
turnover, metabolic stress, and ischemia also increase, which act as signals to
activate the peroxisome proliferator-activated receptor gamma coactivator
1-alpha, which is the master regulator of mitochondrial biogenesis. For
practical application, the acute stress and chronic adaptations to three
specific forms of high-time under tension are also discussed: Slow-tempo,
low-intensity resistance training, and drop-set resistance training. These
modalities of high-time under tension lead to hallmark adaptations to resistance
training such as muscle endurance, hypertrophy, and strength, but little is
known about their effect on traditional aerobic training adaptations.
Vascular Architecture Characters and Changes of Pediatric Moyamoya Disease after Combined Bypass Surgery
Authors: Ma Yan , Lu Xia , Zeng Gao , Yang Bin , Jiao Liqun , Ling Feng
Published: January 2022

Objective We aimed to analyze the angioarchitecture characters and changes after combined bypass surgery (CBS) in pediatric moyamoya disease (MMD).

Methods We retrospectively analyzed our database of consecutive patients with moyamoya angiopathy who received treatment. Only pediatric MMD cases aged between 3 and 19 years with pre- and post-operative imaging examinations including digital subtraction angiography and magnetic resonance imaging were enrolled in this study. The main trunk vessels' stenosis and the collaterals from the superficial-meningeal system and deep parenchymal system were evaluated before and after CBS.

Results During short-term follow-up period after the unilateral CBS, the stenosis of main trunk vessels both in operative (5.7 ± 2.1 vs. 6.8 ± 1.8; p < 0.001) and non-operative hemisphere (non-operative side 4.3 ± 1.9 vs. 5.7 ± 2.1; p < 0.001) progressed obviously. During the median follow-up period of 28.5 months after CBS, the decrease of posterior cerebral artery middle cerebral artery (PCA-MCA) anastomoses was much more significant (26 vs. 6, p < 0.001) than that of the PCA anterior cerebral artery anastomoses (18 vs. 19, p = 0.807). Meanwhile, the subependymal anastomotic network could be relieved obviously (27 vs. 2, p < 0.001), while the inner thalamic and striatal anastomotic network showed no significant change (31 vs. 25, p = 0.109).

Conclusions The successful CBS could decrease the collaterals from the PCA-MCA leptomeningeal system and the subependymal compensations in deep parenchyma significantly, while the main trunk stenosis would aggravate rapidly both in operative and non-operative hemisphere in short-term follow-up after unilateral CBS. Therefore, strict and regular follow-ups for the changes of vascular architecture and prompt surgical intervention for the contralateral side might be of benefit to pediatric MMD.
Pharmacokinetic/Pharmacodynamic Optimization of Hospital-Acquired and Ventilator-Associated Pneumonia: Challenges and Strategies
Authors: Abouelhassan Yasmeen P. , Nicolau David
Published: January 2022

Hospital-acquired pneumonia (HAP) and ventilator-associated pneumonia (VAP) are correlated with high mortality rates worldwide. Thus, the administration of antibiotic therapy with appropriate dosing regimen is critical. An efficient antibiotic is needed to maintain an adequate concentration at the infection site, for a sufficient period of time, to achieve the best therapeutic outcome. It can, however, be challenging for antibiotics to penetrate the pulmonary system due to the complexity of its structure. Crossing the blood alveolar barrier is a difficult process determined by multiple factors that are either drug related or infection related. Thus, the understanding of pharmacokinetics/pharmacodynamics (PK/PD) of antibiotics identifies the optimum dosing regimens to achieve drug penetration into the epithelial lining fluid at adequate therapeutic concentrations. Critically ill patients in the ICU can express augmented renal clearance (ARC), characterized by enhanced renal function, or may have renal dysfunction necessitating supportive care such as continuous renal replacement therapy (CRRT). Both ARC and CRRT can alter drug elimination, thus affecting drug concentrations. PK of critically ill patients is less clear due to the multiple variabilities associated with their condition. Therefore, conventional dosing regimens often lead to therapeutic failure. Another major hurdle faced in optimizing treatment for HAP/VAP is the reduction of the in vitro potency. Therapeutic drug monitoring (TDM), if available, may allow health care providers to personalize treatment to maximize efficacy of the drug exposures while minimizing toxicity. TDM can be of significant importance in populations whom PK are less defined and for resistant infections to achieve the best therapeutic outcome.
Operating Room Noise and Team Communication during Facial Plastic and Reconstructive Surgery: A Multicenter Study
Authors: Levin Marc , Brace Matthew , Sommer Doron D. , Roskies Michael
Published: January 2022

Operating room (OR) noise contributes to team miscommunication. In facial plastic and reconstructive surgery (FPRS), many cases are completed under sedation. This creates a unique environment wherein patients are aware of OR noise. The objectives of this study were to quantify noise and evaluate team members' perspectives on communication inside of FPRS ORs. This study was completed across three surgical institutions. Objective noise measurements were recorded with SoundMeter X. A communication questionnaire was delivered to OR team members following each case. Four hundred and twenty-three noise measurements were recorded during facelift/neck, eye/brow, rhinoplasty, and fat transfer/lip surgeries. The mean and maximum noise levels were 66.1 dB (dB) and 87.6 dB, respectively. Measurements during cases with general anesthetic (221/423, 52.2%) had higher noise measurements (70.3 dB) compared with those with sedation (202/423, 47.8%) (69.7 dB) (p = 0.04). The OR was louder with suction on (72.3 dB) versus off (69.3 dB) (p <0.00). Suction (34.5%) and music (22.4%) were the largest noise contributors according to questionnaire replies. Intraoperative noise, awake patients, and suctions/music may negatively impact FPRS OR communication. Innovation to improve FPRS intraoperative communication should be considered for effective patient care.
The Role of Bracing in ACL Injuries: The Current Evidentiary State of Play
Authors: Ma Richard , Sheth Chirag , Fenkell Blake , Buyuk Abdul Fettah
Published: January 2022

Anterior cruciate ligament (ACL) injuries and surgeries are both increasing in incidence. A notable rate of reinjury and failure does occur after ACL surgery. As a result, interventions that may reduce ACL injury or reinjury are needed and are active areas of innovation. Knee bracing as a strategy to either prevent primary ACL injury, reduce reinjury, or failure after ACL surgery is common. The evidence for bracing around ACL injuries is not straightforward. Clinicians therefore need to understand the relevant literature on bracing around ACL injuries to make personalized decisions for individuals who may be at risk for ACL injury. The purpose of this review is to provide an overview on bracing for ACL injuries and summarize the current available clinical evidence for its use in ACL injuries.
Aggregation-induced emission with large redshift in 2,7-diphenyl-fluorenone: Reality or artifact?
Authors: Li Xinmao , Guan Jianxin , Hao Chuanqing , Yu Zhihao , Zheng Junrong
Published: January 2022

The luminescence property of 2,7-diphenyl-fluorenone (DPFO) was previously reported to be very unusual with a large aggregation-induced effect associated with a fluorescence redshift of 150 nm. The phenomenon is reexamined in this work. It is found that the abnormal observations are caused by the presence of a trace amount of impurity 2,7-diphenyl-fluorene (DPF) in the as-synthesized DPFO. The pure DPFO molecule does have an intense fluorescence (FL) in solid (528 nm), about 4–5 times larger than in its dilute dichloromethane solutions (542 nm), but with a blueshifted rather than redshifted FL wavelength in solid. The enormous FL enhancement and redshifted FL wavelength of the as-synthesized DPFO solid are due to the presence of impurity DPF. The FL of DPF is much stronger than that of DPFO in dilute solutions and it also has shorter FL wave-lengths. In a dilute solution of DPFO with a trace amount of DPF (~1%), the dominant FL peaks are from DPF. Because the electronic absorption peaks of DPF overlaps with DPFO, the electronic energy of DPF can transfer to DPFO. The energy transfer is faster with the increase of concentration because DPF and surrounding DPFO molecules become closer, which quenches the FL of DPF (356 and 372 nm) and enhances the FL of DPFO (542 nm in solution and 528 nm in solid). Therefore, at high concentrations or in solids, only peak at about 542 or 528 nm shows up, and peaks at 356 and 372 nm disappear.
Adiabatic terminator for fermionic hierarchical equations of motion
Authors: Zhang Daochi , Ding Xu , Zhang Hou-Dao , Zheng Xiao , Yan YiJing
Published: January 2022

The hierarchical equation of motion method has become one of the most popular numerical methods for describing the dissipative dynamics of open quantum systems linearly coupled to environment. However, its applications to systems with strong electron correlation are largely restrained by the computational cost, which is mainly caused by the high truncation tier L required to accurately characterize the strong correlation effect. In this work, we develop an adiabatic terminator by decoupling the principal dissipation mode with the fastest dissipation rate from the slower ones. The adiabatic terminator leads to substantially enhanced convergence with respect to L as demonstrated by the numerical tests carried out on a single impurity Anderson model. Moreover, the adiabatic terminator alleviates the numerical instability problems in the long-time dissipative dynamics.
Extensive numerical tests of leapfrog integrator in middle thermostat scheme in molecular simulations
Authors: Sun Zhaoxi , Kalhor Payam , Xu Yang , Liu Jian
Published: January 2022

Accurate and efficient integration of the equations of motion is indispensable for molecular dynamics (MD) simulations. Despite the massive use of the conventional leapfrog (LF) integrator in modern computational tools within the framework of MD propagation, further development for better performance is still possible. The alternative version of LF in the middle thermostat scheme (LF-middle) achieves a higher order of accuracy and efficiency and maintains stable dynamics even with the integration time stepsize extended by several folds. In this work, we perform a benchmark test of the two integrators (LF and LF-middle) in extensive conventional and enhanced sampling simulations, aiming at quantifying the time-stepsize-induced variations of global properties (e.g., detailed potential energy terms) as well as of local observables (e.g., free energy changes or bondlengths) in practical simulations of complex systems. The test set is composed of six chemically and biologically relevant systems, including the conformational change of dihedral flipping in the N-methylacetamide and an AT (Adenine-Thymine) tract, the intra-molecular proton transfer inside malonaldehyde, the binding free energy calculations of benzene and phenol targeting T4 lysozyme L99A, the hydroxyl bond variations in ethaline deep eutectic solvent, and the potential energy of the blue-light using flavin photoreceptor. It is observed that the time-step-induced error is smaller for the LF-middle scheme. The outperformance of LF-middle over the conventional LF integrator is much more significant for global properties than local observables. Overall, the current work demonstrates that the LF-middle scheme should be preferably applied to obtain accurate thermodynamics in the simulation of practical chemical and biological systems.
Measurement of electron density and temperature in an annular magnetically confined cold-cathode plasma of helium by optical emission spectroscopy
Authors: Sun Hao , Zhang Yushi , Li Lingxiao , Wu Yi , Rong Mingzhe
Published: January 2022

Magnetically confined cold-cathode plasmas in monatomic gases like helium can be used in a variety of devices and applications. In this paper, the radial distribution of electron temperature and electron density in cold-cathode helium plasmas constrained by an annular magnetic field were studied by optical emission spectroscopy. Helium plasma was generated under different pressures (7.5, 10, and 20 Pa) and values of current (23.5 and 33 mA). The spectral lines of He I 667.8 and He I 501.6 nm were studied and the Stark broadening method was applied to obtain the radial distributions of electron temperature and electron density. The results indicate that higher radial gradients or peak values of both electron density and electron temperature could be achieved with increasing operating pressures and discharge currents. It was found that the electrons were mainly concentrated in the area of the localized cusp magnetic field near the cathode surface and the electron density decreased rapidly as with the decrease in the magnetic field.
Experimental verification of increased electronic excitation energy of water in hydrate-melt water by attenuated total reflection-far-ultraviolet spectroscopy
Authors: Ueno Nami , Takegoshi Masato , Zaitceva Anna , Ozaki Yukihiro , Morisawa Yusuke
Published: January 2022

The demand for Li secondary batteries is increasing, with the need for batteries with a higher level of performance and improved safety features. The use of a highly concentrated aqueous electrolyte solution is an effective way to increase the safety of batteries because it is possible to use “water-in-salt” (WIS) and “hydrate-melt” (HM) electrolytes for practical applications. These electrolytes exhibit a potential window of >3.0 V, which is attributed to the difference between the HOMO and the LUMO energies of the n orbital of the pure water molecules and that of the water molecules in the hydration shells of a metal ion, according to theoretical predictions. Thus, in the present study, the attenuated total reflectance (ATR)-far-ultraviolet (FUV) spectra of water and super-concentrated aqueous solutions, such as WIS and HM using a Li salt, were experimentally investigated. The effects of anions, cations, and deuteriums on the ATR-FUV spectra were examined. The ATR-FUV method is an excellent means of studying highly concentrated aqueous salt solutions. The results suggest that the transition energy of water molecules in an ultrahighly concentrated aqueous electrolyte containing HM and WIS increased by nearly 0.4 eV (corresponding to an energy shift of over 10 nm) compared to an aqueous electrolyte with a typical water concentration. It was also revealed that the transition energy of water changes depending on the environment of the non-bonding electron, which is directly connected with or affected by hydrogen bonding with other water molecules or directly connected with Li+.
A perspective on
β
-Ga2O3 micro/nanoelectromechanical systems
Authors: Zheng Xu-Qian , Zhao Hongping , Feng Philip X.-L.
Published: January 2022

Beta gallium oxide (β-Ga2O3) is an emerging ultrawide bandgap (∼4.8 eV) semiconductor with attractive properties for future power and radio frequency (RF) electronics, optoelectronics, and sensors for detecting gases and solar-blind ultraviolet radiation. Beyond such promises, β-Ga2O3 crystal possesses excellent mechanical properties, making it pertinent as a material for micro/nanoelectromechanical systems (M/NEMS). Here, we present an overview and perspective on the emerging β-Ga2O3 M/NEMS and their roles in supplementing Ga2O3 power and RF electronics. We review the development of β-Ga2O3 micro/nanomechanical devices and precise extraction of mechanical properties from these devices. We evaluate the design for frequency scaling up to over 4 GHz by tuning the device geometry and dimensions. Toward technological applications, β-Ga2O3 M/NEMS are analyzed in two aspects: β-Ga2O3 vibrating channel transistors for potential integration with β-Ga2O3 power and RF electronics with operating frequency beyond 1 GHz, and β-Ga2O3 resonant transducers for photon radiation detection with scaling of responsivity and response time. With analytical prediction, we envision challenges and propose strategies and schemes in efficient electromechanical transduction engineering, frequency scaling, and design and fabrication for future development of β-Ga2O3 M/NEMS.
On the accuracy and efficiency of different methods to calculate Raman vibrational shifts of parahydrogen clusters
Authors: Schmidt Matthew , Roy Pierre-Nicholas
Published: January 2022

The Raman vibrational frequency shifts of pure parahydrogen and orthodeuterium clusters of sizes N = 4–9 are calculated using the Langevin equation path integral ground state method. The shifts are calculated using three different methods; the results obtained from each are compared to experiment and variance properties are assessed. The first method requires the direct calculation of energies from two simulations: one when the cluster is in the v = 0 vibrational state and one when the cluster has v = 1 total quantum of vibration. The shift is directly calculated from the difference in those two energies. The second method requires only a v = 0 simulation to be performed. The ground state energy is calculated as usual and the excited state energy is calculated by using the distribution of the v = 0 simulation and the ratio of the density matrices between the v = 1 state and the v = 0 state. The shift is calculated from the difference in those two energies. These first two are both exact methods. The final method is based on perturbation theory where the shift is calculated by averaging the pairwise difference potential over the pair distribution function. However, this is an approximate approach. It is found that for large enough system sizes, despite the approximations, the perturbation theory method has the strongest balance between accuracy and precision when weighing against computational cost.
Diamond MOSFET with MoO3/Si3N4 doubly stacked gate dielectric
Authors: Ren Zeyang , Ding Senchuan , Liang Zhenfang , He Qi , Su Kai , Zhang Jinfeng , Zhang Jincheng , Zhang Chunfu , Hao Yue
Published: January 2022

A hydrogen terminated diamond MOSFET with MoO3/Si3N4 doubly stacked gate dielectrics was fabricated on a single crystalline diamond sample. Compared to a device with single MoO3 layer gate dielectrics, the device performance was improved due to the improvement in the gate voltage, which benefited from the doubly stacked gate dielectric. The device with 4 μm gate length shows a maximum output current of 118.67 mA/mm and an ultra-low resistance of 36.15 Ω mm at the gate voltage of −5 V. In addition, the device shows a maximum transconductance of 35 mS/mm. These results indicate that the dielectric with high work function has high potential to achieve a high-performance diamond MOSFET.
Generation of achromatic auto-focusing Airy beam for visible light by an all-dielectric metasurface
Authors: Zhang Song , Huo Pengcheng , Wang Yilin , Li Moxin , Zhang Cheng , Xu Ting
Published: January 2022

The focusing performance of optical beams has always played an important role in various applications such as imaging, displaying, and sensing. In contrast to a traditional focused beam with gradually increasing light intensity, an auto-focusing Airy beam exhibits an abrupt way of focusing light energy. However, owning to the chromatic dispersion of light, the previously demonstrated auto-focusing Airy beam always suffers from chromatic aberration. Here, we show that with judicious dispersion engineering of its constituent nanostructures, a metasurface can generate auto-focusing Airy beam without chromatism for the visible light. In experimental demonstration, we implement a dielectric metasurface composed of TiO2 nanopillars that generates an achromatic auto-focusing Airy beam with diffraction-limited performance covering the wavelength range from 450 to 600 nm. This study paves the way toward efficient achromatic auto-focusing Airy beam generation based on flat optical components, enabling diverse potential applications including biomedical imaging, light-sheet microscopy, and particle manipulation.
Linear strain and stress potential parameters for the three fundamental band to band transitions in
β
-Ga2O3
Authors: Korlacki R. , Knudtson J. , Stokey M. , Hilfiker M. , Darakchieva V. , Schubert M.
Published: January 2022

We report the strain and stress relationships for the three lowest energy direct band to band transitions at the Brillouin zone center in monoclinic β-Ga2O3. These relationships augment four linear perturbation parameters for situations, which maintain the monoclinic symmetry, which are reported here as numerical values obtained from density functional theory calculations. With knowledge of these perturbation parameters, the shift of each of the three lowest band to band transition energies can be predicted from the knowledge of the specific state of strain or stress, thus providing a useful tool for modeling performance of power electronic devices and rational strain engineering in heteroepitaxy.
Fabrication and magnetic properties of anisotropic SmCo3/Fe(Co) bulk nanocomposite magnets
Authors: Lou Li , Li Ming , Li Tiancong , Jiang Bo , Hua Yingxin , Gao Jieqiong , Wang Jinyi , He Bo , Wang Jingdong , Li Xiaohong , Zhang Hai-Tian
Published: January 2022

For bulk SmCo3 system hard-soft magnetic nanocomposites, it remains a challenge to fabricate an anisotropic magnet by forming a strong texture for the nanocrystalline SmCo3 phase. In this paper, we report the fabrication of a bulk anisotropic SmCo3/Fe(Co) nanocomposite magnet with a strong (00 l) texture for the SmCo3 phase and a small grain size of 21 nm for the Fe(Co) phase. Good results were achieved by controlling the nucleation and growth of the nanocrystals from the amorphous matrix using large stress and strain. The synthesized magnet exhibited a high-energy product of 17.0 MGOe, which was 26% larger than the reported highest value of 13.5 MGOe for SmCo3-based nanocomposites and 314% higher than 4.1 MGOe for the corresponding pure SmCo3 magnets. Moreover, these magnets possessed small remanence and coercivity temperature coefficients of α = −0.018%/°C and β = −0.24%/°C, which were much lower than those α = −0.14%/°C and β = −0.31%/°C for pure SmCo3 magnets and α = −0.073%/°C and β = −0.30%/°C for SmCo3/Fe(Co) isotropic nanocomposite. These findings are an important step toward the practical application of the SmCo3-based nanocomposite.
Electrical contactless microfluidic flow quantification
Authors: Zhang Xiaoyu , Fan Xiao , Bao Huilu , Ping Jinglei
Published: January 2022

Precise sensing of microfluidic flow is essential to advancing lab-on-a-chip development and the downstream medical applications. Contactless microfluidic flow interrogation is noninvasive, nonperturbative, and fouling-free. However, known real non-contact flow sensing technologies are limited to quantifying bulk fluids. Here, we develop an electrical approach to contactless quantification of aqueous microfluidic flow. We found that the electric potential generated by the ubiquitous contact electrification of a microfluidic flow with fluidic channel walls is interrogatable by using a probe electrode at a distance over centimeters from the microfluidic flow, and the measured voltage response demonstrates linear relationship to the microfluidic flow rate with a resolution of sub-microliter per minute (in a 1-Hz bandwidth), providing an ideal, high-precision contactless flow transduction pathway. In addition to this primary finding, by using a monolayer-graphene coated probe electrode, in comparison with a typical bare probe electrode, an overall enhancement in flow-sensory resolution of 36.4% is attained.
Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections
Authors: Schaupp Thomas , Engel Volker
Published: January 2022

We study the three-dimensional correlated motion of an electron and a proton. In one situation, the dynamics is restricted to the electronic ground state and is, thus, well described within the Born–Oppenheimer (BO) approximation. The probability and flux densities yield information about the coupled dynamics. Because the electronic flux density vanishes if determined from the BO wave function, another flux density is regarded, which provides insight into the directional motion of the electron. This flux density can be calculated within the BO approximation and agrees numerically well with the one derived from the full-dimensional calculation. Starting in the first excited electronic state at a similar geometry as chosen for the ground state dynamics results in a short-time dynamics that takes place in the same regions of the configuration space. Adopting the picture that evolves from the adiabatic expansion of the wave function, the nuclear wave packet motion in the two coupled adiabatic electronic states proceeds through a ring of conical intersections (CIs), which is accompanied by an effective population transfer. Nevertheless, the total nuclear probability and flux densities resemble very much those obtained for the ground state dynamics. While passing the CI, the electronic densities remain nearly constant, as expected for a diabatic dynamics. This confirms the conclusions obtained from our former two-dimensional study, namely, that also in three-dimensional space the wave packet dynamics does not exhibit features of the non-adiabatic dynamics.