bluuebunny/crossref_metadata_2025_split huggingface dataset:
Omicron and Delta variant of SARS‐CoV‐2: A comparative computational study of spike protein
Authors: Kumar Suresh , Thambiraja Thiviya S. , Karuppanan Kalimuthu , Subramaniam Gunasekaran 
Published: December 2021

AbstractEmerging severe acute respiratory syndrome coronavirus type 2 (SARS‐CoV‐2) variants, especially those of concern, may have an impact on the virus's transmissibility and pathogenicity, as well as diagnostic equipment performance and vaccine effectiveness. Even though the SARS‐CoV‐2 Delta variant (B.1.617.2) emerged during India's second wave of infections, Delta variants have grown dominant internationally and are still evolving. On November 26, 2021, World Health Organization identified the variant B.1.1.529 as a variant of concern, naming it Omicron, based on evidence that Omicron contains numerous mutations that may influence its behavior. However, the mode of transmission and severity of the Omicron variant remains unknown. We used computational studies to examine the Delta and Omicron variants in this study and found that the Omicron variant had a higher affinity for human angiotensin‐converting enzyme 2 (ACE2) than the Delta variant due to a significant number of mutations in the SARS‐CoV‐2 receptor‐binding domain (RBD), indicating a higher potential for transmission. Based on docking studies, the Q493R, N501Y, S371L, S373P, S375F, Q498R, and T478K mutations contribute significantly to high binding affinity with human ACE2. In comparison to the Delta variant, both the entire spike protein and the RBD in Omicron include a high proportion of hydrophobic amino acids such as leucine and phenylalanine. These amino acids are located within the protein's core and are required for structural stability. We observed a disorder–order transition in the Omicron variant between spike protein RBD regions 468–473, and it may be significant in the influence of disordered residues/regions on spike protein stability and binding to ACE2. A future study might investigate the epidemiological and biological consequences of the Omicron variant.
Allograft prosthetic composite reconstruction using a reverse total shoulder arthroplasty for failed oncologic proximal humerus reconstruction
Authors: Houdek Matthew T. , Wagner Eric R. , Rose Peter S. , Barlow Jonathan D. , Elhassan Bassem T. , Sanchez‐Sotelo Joaquin 
Published: December 2021

AbstractIntroductionEndoprosthetic or allograft reconstruction are the preferred reconstruction techniques for proximal humeral bone tumors. Failure of these reconstructions may occur, but historically revision is performed rarely due to the lack of reliable options. Reverse shoulder arthroplasty with an allograft prosthetic composite (rAPC) may provide a revision option. The purpose of the current study was to evaluate our institutional outcome of these procedures.MethodsEleven (6 male, 5 female) patients (mean age 51 ± 17 years) underwent revision of a failed oncologic reconstruction of the proximal humerus utilizing a rAPC. The most common indication for revision was subluxation (n = 6) and the most common previous implant was an endoprosthesis (n = 5).ResultsRevision resulted in improvements in shoulder elevation (39° vs. 62°, p = 0.02), external rotation (13° vs. 25°, p = 0.04), American Shoulder and Elbow Surgeons score (39 vs. 58, p = 0.004) and Musculoskeletal Tumor Society Scores (51% vs 69%, p = 0.002). There were 2 re‐revision procedures performed. One for an allograft fracture and one for allograft resorption and loosening.ConclusionsRevision with a rAPC can effectively restore patient function. Due to the complexity of the cases, we advocate for these procedures to be performed by subspecialty upper extremity surgeons trained in complex revision shoulder arthroplasty.
Eutrophication and temperature drive large variability in carbon dioxide from China's Lake Taihu
Authors: Xiao Qitao , Duan Hongtao , Qin Boqiang , Hu Zhenghua , Zhang Mi , Qi Tianci , Lee Xuhui 
Published: December 2021

AbstractEutrophication and warming are changing the functioning of lake ecosystems, and their impacts on lake carbon dioxide (CO2) variability have received increasing attention. However, how eutrophication and warming change lakes' carbon cycle has not been determined. Here, the surface partial pressure of CO2 (pCO2) and CO2 flux in Lake Taihu, a large and eutrophic lake in eastern China, was investigated based on monthly samplings over a 24‐yr period (1992–2015), during which the lake experienced profound anthropogenic and climate changes. The results showed that eutrophication caused by nutrient enrichment plays a role in three aspects: (1) nutrient concentrations controlled the CO2 variability on decadal scales; (2) peak pCO2 and CO2 fluxes occurred in river mouths due to large external nutrient loading inputs; and (3) eutrophication effects on CO2 varied among subzones, which was linked to external inputs and in‐lake primary production. Meanwhile, temperature controls the seasonal variation in CO2 by stimulating primary production, leading to significantly lower pCO2 and CO2 fluxes in warm seasons with algal blooms. Further analysis suggested that temperature effects varied spatially and temporally, high nutrient loading may confound the temperature effects via stimulating CO2 production. To our knowledge, this study presents the longest field measurements (24 yr) of CO2 from such large and ice‐free freshwater lakes with monthly surveys, which may provide a powerful example to demonstrate that eutrophication and warming can shape CO2 variability from a temporal perspective. Future studies should focus on the interactive warming and eutrophication effects to accurately predict future CO2 emission.
Optical Resonator Enhanced Photovoltaics and Photocatalysis: Fundamental and Recent Progress
Authors: Yuan Zhiyi , Wu Pin Chieh , Chen Yu‐Cheng 
Published: December 2021

AbstractSolar light is recognized as one of the most valuable sustainable energy sources of the future. Finding solutions to enhance energy‐conversion efficiency is of paramount significance for realizing more efficient photovoltaic and photocatalytic devices. Remarkable development in chemical and physical strategies has been explored to increase the optical‐absorption coefficients, extend the spectral range, and optimize the light‐harvesting and conversion efficiency. Optical resonators, which play a ubiquitous role in modern optics, possess the unique ability to provide strong optical confinement and enormous light‐matter interactions. Such features have attracted tremendous attention in photoelectric enhancement and applications in photovoltaic, photocatalysis, and even light‐emitting devices recently. This review presents theoretical as well as experimental progress on enhanced photovoltaic and photocatalysis by exploiting optical resonators. Fundamentals of various optical cavities are discussed according to confinement and photoelectric enhancing mechanism, including Fabry–Perot, whispering gallery mode, photonic crystal, plasmonics, and hybrid cavities. Finally, the application prospects of cavity‐enhanced photoelectric effect, including strong coupling, cavity design, and challenges are discussed. It is envisioned that the successful implementation of optical resonators in photoenergy applications may open a promising avenue for a broad spectrum of light‐energy‐conversion technologies.
Improved healing and macrophage polarization in oral ulcers treated with photobiomodulation (PBM)
Authors: Ryu Hyun Seok , Lim Nam Kyu , Padalhin Andrew Reyes , Abueva Celine , Park So Young , Chung Phil‐sang , Woo Seung Hoon 
Published: December 2021

AbstractObjectivesThe effect of photobiomodulation (PBM) treatment on wound healing and macrophage polarization was investigated in vivo. Animal models of oral ulcers were simulated through chemically induced oral ulcers in rats.Materials and MethodsPBM treatment using an infrared pulsed laser was used to treat oral ulcers in the animal models. Twelve Sprague–Dawley rats were randomly divided into four groups depending on set absorbed energy: Group 1 (control), Group 2 (30 J), Group 3 (60 J), and Group 4 (100 J). Laser treatment was performed every other day for 8 days after ulcer confirmation. Parameters used were as follows: wavelength 808 nm, power output 50 mW, spot size 10 mm, frequency 10 Hz, and pulse duration 1 millisecond. Ulcers were measured to determine the effect of the treatments over time. Histology, immunostaining, and real‐time polymerase chain reaction analyses were performed to evaluate the effect of PBM treatment on macrophage‐related (IL‐6/IL‐10) and wound‐healing‐related (TNF‐α/TGF‐β/MMP‐2) cytokine expression.ResultsHistological examinations indicate that the PBM treatment stimulated a higher level of wound recovery after 8 days of treatment at 60 J absorbed energy compared to other treatment groups. Analyses of relative gene expression of proinflammatory, anti‐inflammatory, and tissue remodeling cytokines indicate that the macrophages in the tissue samples were predominantly characterized as M2 subtypes (alternatively activated), which possibly accounts for the accelerated tissue repair in the animal model of oral ulcer.ConclusionThis preliminary study stands as a proof of concept regarding the potential use of infrared laser PBM treatment for oral ulcers which have not been previously investigated upon. PBM treatment affects macrophage polarization and enhances wound healing. Further experimentation will be conducted to expand the understanding of how PBM treatment affects the healing mechanism of ulcers.
Surfaces of the nearly Kähler S3×S3${\bf \mathbb {S}^3\times \mathbb {S}^3}$ preserved by the almost product structure
Authors: Antić Miroslava , Hu Zejun , Moruz Marilena , Vrancken Luc 
Published: December 2021

AbstractThe product manifold is one of the only four homogeneous six‐dimensional nearly Kähler manifolds. It also admits a canonical almost product structure P, which is compatible with the almost complex structure (see Bolton et al., Tôhoku Math. J. 67 (2015), 1–17, and Moruz and Vrancken, Publ. Inst. Math. 103 (2018), no. 117, 147–158). In this paper, we investigate and describe the two‐dimensional surfaces of which are P‐invariant.
Technical note: Does the greater power of pencil beam scanning reduce the need for a proton gantry? A study of head‐and‐neck and brain tumors
Authors: Yan Susu , Depauw Nicolas , Adams Judith , Gorissen Bram L. , Shih Helen A. , Flanz Jay , Bortfeld Thomas , Lu Hsiao‐Ming 
Published: December 2021

AbstractPurposeProton therapy systems without a gantry can be more compact and less expensive in terms of capital cost and therefore more available to a larger patient population. Would the advances in pencil beam scanning (PBS) and robotics make gantry‐less treatment possible? In this study, we explore if the high‐quality treatment plans can be obtained without a gantry.Methods and materialsWe recently showed that proton treatments with the patient in an upright position may be feasible with a new soft robotic immobilization device and imaging which enables multiple possible patient orientations during a treatment. In this study, we evaluate if this new treatment geometry could enable high quality treatment plans without a gantry. We created PBS treatment plans for seven patients with head‐and‐neck or brain tumors. Each patient was planned with two scenarios: one with a gantry with the patient in supine position and the other with a gantry‐less fixed horizontal beam‐line with the patient sitting upright. For the treatment plans, dose‐volume‐histograms (DVHs), target homogeneity index (HI), mean dose, , and are reported. A robustness analysis of one plan was performed with 2.5‐mm setup errors and 3.5% range uncertainties with nine scenarios.ResultsMost of the PBS‐gantry‐less plans had similar target HI and organs‐at‐risk mean dose as compared to PBS‐gantry plans and similar robustness with respect to range uncertainties and setup errors.ConclusionsPBS provides sufficient power to deliver high quality treatment plans without requiring a gantry for head‐and‐neck or brain tumors. In combination with the development of the new positioning and immobilization methods required to support this treatment geometry, this work suggests the feasibility of further development of a compact proton therapy system with a fixed horizontal beam‐line to treat patients in sitting and reclined positions.
Flexoelectricity in fluoropolymer/aluminium reactives
Authors: Zaitzeff Mikel J , Groven Lori J 
Published: December 2021

AbstractThe development of smart reactive materials is of significant interest to the reactives community in order to tailor energy delivery and enable ON/OFF capability. Of the polymer bound reactives, those with fluoropolymer binder have shown potential as smart materials due to the polymer's strong electroactive characteristics. This could be due to piezoelectricity or flexoelectricity but has not been well characterized. This effort measures the flexoelectric coefficient for two fluoropolymer/aluminium (Al) reactive systems and details the role processing, configuration and fluoropolymer type have on their electroactive behavior. Specifically, poly(vinylidene fluoride) (PVDF) and tetrafluoroethylene‐hexafluoropropylene‐vinylidene fluoride (THV) were characterized with Al (fuel) loadings of 0, 20, 33 and 50 wt%. Two additive manufacturing routes, direct ink writing (DIW) and fused filament fabrication, were used to determine how processing and print direction may influence the electroactive behavior. A linear increase in flexoelectric coefficient as a function of Al loading was observed for both fluoropolymer systems ranging from 5.03 ± 0.7 nC m–1 to 7.83 ± 1.1 nC m–1. Processing via DIW resulted in samples with the highest flexoelectric coefficients, 8.48 ± 1.0 and 11.62 ± 2.5 nC m–1 for THV/Al and PVDF/Al, respectively, attributed to increased porosity. These results indicate that non‐piezoelectric polymer bound reactives have promise as smart reactives with calculated apparent piezoelectric coefficients up to 189 ± 12 pC N–1. © 2021 Society of Industrial Chemistry.
Risk assessment of engineering diseases of embankment–bridge transition section for railway in permafrost regions
Authors: Zhang Saize , Niu Fujun , Wang Shi , Sun Yongning , Wang Jinchang , Dong Tianchun 
Published: December 2021

AbstractThe embankment–bridge transition section (EBTS) is one of the zones where railway diseases occur frequently in permafrost regions. Disease risk assessment of EBTSs can provide guidance for maintenance. In this study, considering the engineering geological conditions, climate characteristics, and embankment structure types along the Qinghai–Tibet Railway (QTR) as well as based on the disease inventory of the QTR from 2010 to 2019, the logistic regression (LR), support vector machine (SVM), and combination‐weight‐based gay relation analysis (GRA) were used for disease risk assessment of the EBTSs along the QTR in permafrost regions. The results indicate that the LR and SVM models have a better capability for EBTS disease prediction than the GRA model, and the SVM model can select more disease samples in relatively larger regions than the LR model. Based on the SVM and LR models, the risk level of EBTSs is divided into four classes: low‐ (29.9%), moderate‐ (39.6%), high‐ (22.1%), and very high (8.4%) risk. Finally, we selected 272 EBTSs in high‐ and very‐high‐risk classes for key observation during the maintenance of the QTR in permafrost regions. This study provides a reference for the risk assessment of railways built in permafrost regions using data‐driven methods.
Pilot study for comparative assessment of dual‐energy computed tomography and single‐photon emission computed tomography V/Q scanning for lung perfusion evaluation in infants
Authors: Ramirez‐Suarez Karen I. , Barrera Christian A. , Otero Hansel J. , Biko David M. , States Lisa J. , Servaes Sabah , Zhu Xiaowei , Davis James C. , Piccione Joseph , Rapp Jordan B. 
Published: December 2021

AbstractObjectiveTo evaluate clinical applications of dual‐energy computed tomography (DECT) in pediatric‐specific lung diseases and compare ventilation and perfusion findings with those from single‐photon emission computed tomography (SPECT‐CT) V/Q.MethodsAll patients at our institution who underwent exams using both techniques within a 3‐month period were included in this study. Two readers independently described findings for DECT, and two other readers independently analyzed the SPECT‐CT V/Q scan data. All findings were compared between readers and disagreements were reassessed and resolved by consensus. Inter‐modality agreements are described throughout this study.ResultsEight patients were included for evaluation. The median age for DECT scanning was 3.5 months (IQR = 2). Five of these patients were scanned for both DECT and SPECT‐CT V/Q studies the same day, and three had a time gap of 7, 65, and 94 days between studies. The most common indications were chronic lung disease (5/8; 63%) and pulmonary hypertension (6/8; 75%). DECT and SPECT‐CT V/Q identified perfusion abnormalities in concordant lobes in most patients (7/8; 88%). In one case, atelectasis limited DECT perfusion assessment. Three patients ultimately underwent lobectomy with corresponding perfusion abnormalities identified by all reviewers on both DECT and SPECT‐CT V/Q in all resected lobes.ConclusionDECT is a feasible technique that could be considered as an alternative for SPECT‐CT V/Q for lung perfusion evaluation in infants.
Understanding barrier degradation during water vapour transmission rate testing of high barrier metallized paper
Authors: Wyser Yves , Vishtal Alexey , Giardiello Maria Isabelle , Pelletier Chantal , Deantoni Frédéric 
Published: December 2021

AbstractSingle use packaging is one of the major contributors to environmental issues linked to waste in the environment. Packaging materials often consist of several plastics, which, when combined, are difficult to recycle. One option to reduce these issues are packaging materials for which recycling infrastructure and end markets exist, such as paper. Use of paper in food packaging applications is limited due to poor barrier properties. Enhancing barrier properties without impacting recyclability can be achieved by thin polymeric coatings combined with vapour‐deposited aluminium. Water vapour transmission rate (WVTR) of packaging materials is often assessed at 38°C and 90% relative humidity (RH). These conditions, not experienced in the supply chain, may not be optimal for paper as they have the potential to alter the structure of paper by inducing expansion disrupting barrier. This study aims at verifying this hypothesis by evaluating the influence of temperature and RH on the measured WVTR of high barrier paper. Results show that testing such papers at 38°C and 90% RH yields WVTR approximately 10 times higher than when tested at 23°C and 85% RH. The link between this increase and the disruption of the barrier layer is demonstrated by testing samples preconditioned at 38°C and 90% RH and tested at 23°C and 85% RH, depicting an increased WVTR as well. Results suggest that integrity of barrier layer in paper was disrupted at 38°C and 90% RH, and hence, these conditions are deemed inappropriate for testing barrier performance of paper materials.
Impact of dedicated outpatient pulmonary follow‐up for hospitalized patients with acute pulmonary embolism
Authors: Noto Joseph G. , Rali Parth 
Published: December 2021

AbstractPulmonary embolism (PE) response teams are the standard of care for the management of acute PE. The complications of PE extend far beyond the initial hospitalization period. In this study, we examined the role and potential benefits of dedicated pulmonary follow‐up after hospital discharge for patients with PE.
A Preliminary Study of Peripheral T-Cell Subsets in Porokeratosis Patients with MVK or MVD Variants
Authors: Tao L. , Huang Y. K. , Yan K. X. , Li C. H. , Shen L. , Zhang Z. H. 
Published: December 2021

Abstract

Background
Porokeratosis (PK) is considered a skin-specific autoinflammatory keratinization disease. Intriguingly, four causative genes of PK are in turn arranged in mevalonate pathway, with MVD variants being the commonest followed by MVK variants in a cohort of Chinese patients. Evidence indicates that mevalonate metabolites induce trained immunity in human monocytes and regulate T cells at multiple levels. Of note, γδT cells are dually regulated by intracellular and extracellular mevalonate metabolism.

Aims
To identify the possible differences in T-cell between MVK or MVD variants from PK patients.

Materials & Methods
Targeted exome sequencing and exonic CNV screening were performed in 26 patients with PK. Sanger sequencing was used to validate all identified variants. Among them, 22 patients were identified with MVK or MVD variants. PBMCs from 22 PK patients and 27 normal controls (NCs) were analysed by flow cytometry for the frequencies of T cells subsets, including IFN-γ-, and TNF-α-producing T cells.

Results
There were 14 mutations identified in the 26 PK patients, including 6 novel mutations (MVK: c.118_226+1337dup, c.388_392delGATATinsC, c.613A&gt;T, c.768G&gt;C, and MVD: c.250C&gt;T, c.988T&gt;G). In contrast to NCs, significantly decreased frequencies of CD8+ and Vγ9Vδ2 T cells were observed in the PK patients with MVD variants. Moreover, it was found that dysregulated secretion of pro-inflammatory cytokines by T cells in both PK patients with MVK and MVD variants.

Conclusions
Our findings enriched the Human Gene Mutation Databases and showed probable differences in peripheral T cells subsets between PK patients and controls.
Magnetically Retrievable Organocatalyst: An Emergent Green Method for The Rapid Formation of Biodynamically Significant Quinolines
Authors: Maurya Saransh W. , Sagir Hozeyfa , Ansari Mohd D. , Siddiqui Ibadur R. 
Published: December 2021

AbstractHerein, highly efficient organocatalyst arginine coupled magnetic nanoparticles have been synthesized and aiming to catalyze synthesis of biodynamically significant quinolines. Results indicate that the catalyst is compatible with a wide range of functional groups and generates various quinoline derivatives in good to excellent yields under solvent free condition. Superior activity of the reported catalyst can be combine with the synergistic effect of the following factors: Firstly use of iron oxide nanoparticles as supports provide large surface areas, high surface‐to‐volume ratio, high reactivity and selectivity and lower consumption of energy, Secondly encapsulation of MNPs (Magnetic Nanoparticles) with L‐arginine not only prevent magnetic aggregation but also imparts many desirable properties like high thermal and chemical stability, finely disperse active sites and enhanced activity. Thirdly use of environmentally more benign, non‐toxic and much cheaper L‐arginine amino acid for coating agent need simple handling and storage. Fourthly potential recovery of this catalytic system by an external magnet, reduces waste, labour and cost, thus satisfy the requirements of green chemistry. Moreover such coating also provides sites for functionalization with other organic groups and thereby broaden their applicability in various research areas such as drug delivery, magnetic resonance imaging, biomedicine and especially in the field of heterocatalysis.