bluuebunny/crossref_metadata_2025 huggingface dataset:
The key role of organic anion transporter 3 in the drug–drug interaction between tranilast and methotrexate
Authors: Wang Jingjing , Yuan Wenjing , Shen Qingqing , Wu Qipeng , Jiang Zhenzhou , Wu Wei , Zhang Luyong , Huang Xin
Published: January 2022

Tranilast, N‐(3′,4′‐dimethoxycinnamoyl)‐anthranilic acid, is an anti‐allergic drug and is considered for use in the treatment of rheumatoid arthritis. Methotrexate, an antimetabolite and folate antagonist to treat some cancers, is also a first‐line drug for RA. The aim of this study was to understand whether tranilast could inhibit renal uptake transporters (Oat1, Oat3, and Oct2) and whether MTX combined with TL would have drug–drug interactions. The results of kidney slices and HEK293T‐OAT3 cell uptake experiments showed that TL (10 μM) could inhibit the uptake of penicillin G and MTX, which are substrates of OAT3. When TL (10 mg/kg) was combined with MTX (5 mg/kg), the area under the curve and peak concentration of MTX increased by 46.46% and 113.51%, respectively, while the pharmacokinetic process of tranilast (10 mg/kg) was not changed by methotrexate (5 mg/kg). TL could increase plasma exposure of MTX by inhibiting Oat3 in vitro and in vivo.
Novel variants underlying autosomal recessive neurodevelopmental disorders with intellectual disability in Iranian consanguineous families
Authors: Moudi Mahdiyeh , Vahidi Mehrjardi Mohammad Yahya , Hozhabri Hossein , Metanat Zahra , Kalantar Seyed Mehdi , Taheri Mohsen , Ghasemi Nasrin , Dehghani Mohammadreza
Published: January 2022

Background

Intellectual disability (ID) is a heterogeneous group of neurodevelopmental disorders that is characterized by significant impairment in intellectual and adaptive functioning with onset during the developmental period. Whole‐exome sequencing (WES)‐based studies in the consanguineous families with individuals affected with ID have shown a high burden of relevant variants. So far, over 700 genes have been reported in syndromic and non‐syndromic ID. However, genetic causes in more than 50% of ID patients still remain unclear.

Methods

Whole‐exome sequencing was applied for investigation of various variants of ID, then Sanger sequencing and in silico analysis in ten patients from five Iranian consanguineous families diagnosed with autosomal recessive neurodevelopmental disorders, intellectual disability, performed for confirming the causative mutation within the probands. The most patients presented moderate‐to‐severe intellectual disability, developmental delay, seizure, speech problem, high level of lactate, and onset before 10 years.

Results

Filtering the data identified by WES, two novel homozygous missense variants in FBXO31 and TIMM50 genes and one previously reported mutation in the CEP290 gene in the probands were found. Sanger sequencing confirmed the homozygote variant's presence of TIMM50 and FBXO31 genes in six patients and two affected siblings in their respective families. Our computational results predicted that the variants are located in the conserved regions across different species and have the impacts on the protein stability.

Conclusion

Hence, we provide evidence for the pathogenicity of two novel variants in the patients which will expand our knowledge about potential mutation involved in the heterogeneous disease.
Comparison of three molecular diagnostic assays for SARS‐CoV‐2 detection: Evaluation of analytical sensitivity and clinical performance
Authors: Kim Ha Nui , Yoon Soo‐Young , Lim Chae Seung , Yoon Jung
Published: January 2022

Background

Currently, SARS‐CoV‐2 RNA detection using real‐time reverse‐transcription PCR (rRT‐PCR) is the standard diagnostic test for COVID‐19 infection. Various rRT‐PCR assays are currently used worldwide, targeting different genes of the SARS‐CoV‐2. Here, we compared the analytical sensitivity and clinical performance (sensitivity and specificity) of Allplex SARS‐CoV‐2/FluA/FluB/RSV assay (Seegene), Standard M nCoV real‐time detection kit (SD Biosensor), and U‐TOP COVID‐19 detection kit (Seasun Biomaterials) for SARS‐CoV‐2 detection.

Methods

Two hundred and forty‐nine nasopharyngeal swab samples were evaluated to compare the clinical performance of the rRT‐PCR assays. For the analytical performance evaluation, two RNA controls with known viral loads—SARS‐CoV‐2 RNA control and SARS‐COV‐2 B.1.351 RNA control—were used to investigate the potential impact of SARS‐CoV‐2 variants, particularly the B.1.351 lineage.

Results

Limits of detection ranged from 650 to 1300 copies/ml for rRT‐PCR assays, and the mean differences in cycle threshold (Ct) values of the two RNA controls were within 1.0 for each target in the rRT‐PCR assays (0.05–0.73), without any prominent Ct value shift or dropouts in the SARS‐COV‐2 B.1.351 RNA control. Using the consensus criterion as the reference standard, 89 samples were positive, whereas 160 were negative. The overall clinical performance of rRT‐PCR assays was comparable (sensitivity 98.88%–100%; specificity 99.38%–100%), whereas the sensitivities of each target gene were more variable.

Conclusions

The three rRT‐PCR assays showed comparable analytical sensitivity and clinical performance. The analytical and clinical sensitivities of each target gene were influenced more by the primer and probe design than the target gene itself.
Computed tomography‐defined body composition as prognostic markers for unfavourable outcomes and in‐hospital mortality in coronavirus disease 2019
Authors: Meyer Hans‐Jonas , Wienke Andreas , Surov Alexey
Published: January 2022

Background

Low skeletal muscle mass (LSMM) and visceral fat areas can be assessed by cross‐sectional images. These parameters are associated with several clinically relevant factors in various disorders with predictive and prognostic implications. Our aim was to establish the effect of computed tomography (CT)‐defined LSMM and fat areas on unfavourable outcomes and in‐hospital mortality in coronavirus disease 2019 (COVID‐19) patients based on a large patient sample.

Methods

MEDLINE library, Cochrane, and Scopus databases were screened for the associations between CT‐defined LSMM as well as fat areas and in‐hospital mortality in COVID‐19 patients up to September 2021. In total, six studies were suitable for the analysis and included into the present analysis.

Results

The included studies comprised 1059 patients, 591 men (55.8%) and 468 women (44.2%), with a mean age of 60.1 years ranging from 48 to 66 years. The pooled prevalence of LSMM was 33.6%. The pooled odds ratio for the effect of LSMM on in‐hospital mortality in univariate analysis was 5.84 [95% confidence interval (CI) 1.07–31.83]. It was 2.73 (95% CI 0.54–13.70) in multivariate analysis. The pooled odds ratio of high visceral fat area on unfavourable outcome in univariate analysis was 2.65 (95% CI 1.57–4.47).

Conclusions

Computed tomography‐defined LSMM and high visceral fat area have a relevant association with in‐hospital mortality in COVID‐19 patients and should be included as relevant prognostic biomarkers into clinical routine.
Three cases of hepatic epithelioid hemangioendothelioma evaluated using conventional and contrast‐enhanced ultrasound: Case reports
Authors: Fang Jian‐Qiang , Ji Ya‐Yun , Zhao Wei‐An , Pu Cui , Mi Si‐Yuan , Zhang Bin‐Yu
Published: January 2022

Hepatic epithelioid hemangioendothelioma (HEHE) is a very rare vascular endothelial cell tumor, which lacks typical clinical manifestations and specificity of imaging features. Whether the background of fatty liver and the difference in Contrast enhanced ultrasound (CEUS) characteristics between large and small lesions has not been well defined. In this case reports, we described the ultrasound image features of three patients with HEHE. These three patients with HEHE have certain similar characteristics of conventional ultrasound and CEUS. CEUS imaging features include large nodules show earlier perfusion than liver parenchyma, with rim‐enhancement, nonenhancing regions in the center, while small nodules show earlier perfusion than liver parenchyma, with hyperenhancement. All nodules show faster washout than hepatic parenchyma, showing heterogeneous hypoenhancement, and more washout lesions can be found in the PVP and LP. Conventional ultrasound and CEUS not only help to improve the diagnostic confidence of HEHE of rare liver tumors, but also can guide the biopsy area, making it easier to make accurate pathological diagnosis.
Association of physiological reserve measures with adverse outcomes following liver transplantation
Authors: Kimber James S , Woodman Richard J , Narayana Sumudu K , John Libby , Ramachandran Jeyamani , Schembri David , Chen John W C , Muller Kate R , Wigg Alan J
Published: January 2022

Background and Aim

The comparative utility of physiological reserve measures in predicting important clinical outcomes following liver transplantation (LT) requires further study. The aim of this work was therefore to compare the utility of physiological reserve measures in predicting early adverse clinical outcomes post‐LT.

Methods

A single‐center, retrospective cohort study of LT patients consecutively recruited between 1 January 2015, and 31 August 2020. Outcomes measured were sepsis and death within 12 months of LT, hospital length of stay (LOS), and intensive care LOS. Physiological reserve measures were handgrip strength, mid‐arm muscle circumference, and cardiopulmonary exercise testing (CPET) measures. Analysis was performed using univariate and multivariate logistic regression for sepsis and death, and univariate and multivariate Cox regression for hospital and intensive care LOS.

Results

Data were obtained for 109 subjects. Patients were predominantly (64%) male with a median (interquartile range [IQR]) age of 57 (49–63) and median (IQR) Model for End‐Stage Liver Disease score of 16 (11–21). In multivariate analysis, the odds of sepsis were lower in patients in the highest versus lowest tertile (odds ratio = 0.004; 95% confidence interval [CI] 0.00–0.13; P = 0.002). Hospital LOS was linearly associated with handgrip strength (hazard ratio [HR] = 1.03; 95% CI 1.00–1.06; P = 0.03) in multivariate analysis. Intensive care LOS was associated with peak VO2 (HR 1.83; 95% CI 1.06–3.16; P = 0.03) and VE/VCO2 slope (HR 0.71; 95% CI 0.58–0.88; P = 0.002) in multivariate analysis.

Conclusion

Handgrip strength and CPET both identify candidates at high risk of adverse outcomes after LT.
β‐Nitrostyrenes as a valuable precursor for the synthesis of β‐aryl‐γ‐lactam and 2‐oxo‐1,2‐dihydroquinoline derivatives
Authors: Lenin Dandamudi V. , Patel Disha , Malvi Payal
Published: January 2022

We successfully demonstrated two different reaction pathways for the synthesis of β‐aryl‐γ‐lactam and 2‐oxo‐1,2‐dihydroquinoline derivatives using β‐nitrostyrenes. The reaction strategy involves the Michael addition followed by reduction and cyclization reactions. Michael adducts containing two different nitro group such as one on aryl ring and another on side chain, selectively takes the path to involve nitro group on aryl to form 2‐oxo‐1,2‐dihydroquinoline derivatives as cyclized product. Michael adducts with nitro group on side chain alone forms β‐aryl‐γ‐lactam derivatives as cyclized product. This methodology is appealing with reliability and scalability with gram scale products that can be synthesized. These heterocyclic compounds can be exploited for their biological activity.
Microwave assisted L‐proline catalyzed one‐pot three–component reaction for the synthesis of 4‐aminoaryl‐2‐phenyl‐2H‐3‐nitrochromene hybrid via Domino Michael‐Henry‐Michael addition reaction
Authors: Khan Danish , Sharma Saurabh , Shukla Prakhar
Published: January 2022

A highly efficient oxidant free, microwave assisted L‐proline catalyzed one pot three‐component reaction has been developed for the synthesis of 4‐aminoaryl‐3‐nitro‐2H‐chromene using o‐hydroxy‐ω‐nitrostyrene, arylaldehyde and arylamine in DMSO solvent. This method involves the stepwise intermolecular Aza Michael addition, nitro‐enolate formation, Henry reaction and intramolecular Oxa‐Michael addition to produce the final product. Various controlled experiments were carried out and intermediates were characterized by ESI‐MS to support the possible reaction path for the formation of desired product. A wide range of substrates were well tolerated and the diverse range of 4‐(phenylamino)‐3‐nitro‐2‐phenyl‐2H‐chromenes have been synthesized in good‐to‐high yields at 80°C within 8–10 min.
Stayed at home—But can't stop working despite being ill?! Guilt as a driver of presenteeism at work and home
Authors: Brosi Prisca , Gerpott Fabiola H.
Published: January 2022

We argue that the literature on presenteeism needs to consider that employees not only go to work despite being ill but also often work from home despite being ill, especially since the COVID‐19 crisis enabled home‐office work on a large scale. We label this phenomenon “workahomeism” and develop theory that shows its distinctness from traditional presenteeism through the evoked pattern of guilt. Across three studies (a vignette experiment, a critical incident study, and a within‐person intervention study), we tested whether employees' work‐related reactions to illness (i.e., workahomeism, presenteeism, and resting at home) differ in terms of experienced and anticipated guilt. We found that when employees considered engaging in workahomeism, they anticipated feeling less guilty than when resting at home. However, when employees actually engaged in workahomeism, they felt as guilty or even more guilty than when resting at home. In contrast, employees' anticipated guilt for presenteeism as compared to workahomeism changed from the same to more after the beginning of the COVID‐19 crisis. Furthermore, we identify facets of guilt in response to workahomeism (i.e., guilt toward colleagues and about own health) and demonstrate that organizations can change guilt patterns by asking employees to reflect on the consequences of workahomeism and presenteeism.
Sulfur fertilization strategy affects grass yield, nitrogen uptake, and nitrate leaching: A field lysimeter study#
Authors: Aspel Claire , Murphy Paul N. C. , McLaughlin Michael J. , Forrestal Patrick J.
Published: January 2022

Background

Globally and at the European Union level there are mounting concerns regarding nitrogen (N) losses from agricultural systems and pressure to reduce N losses to water and air. Suboptimal plant sulfur (S) availability can reduce plant N efficiency and thereby increase N loss potential. Climate change action demands lower sulfur dioxide emissions thus S deposition levels are at an all‐time low.

Aims

The objectives of the current study were to (1) determine the potential for adequate S nutrition to increase grassland yield and N efficiency, (2) determine if alleviating S deficiency reduces nitrate leaching, and (3) evaluate a number of strategies for applying S including the use of cattle slurry.

Methods

This work was completed using a free‐draining sandy loam grassland lysimeter facility. There were six treatments using calcium ammonium nitrate (CAN), CAN + calcium sulfate (CAN+S), ammonium sulfate + CAN (AS+CAN), and slurry (Slurry+CAN and Slurry+CAN+S, respectively) to deliver S strategies. The yield, plant N and S uptake, and nitrate and sulfate leachate were measured to compare treatments.

Results

Application of mineral S fertilizer increased yields significantly (up to 2,907 kg ha–1) and increased apparent fertilizer nitrogen recovery from 39% to 47–49%. Alleviating S deficiency also significantly decreased nitrate leaching to levels not differing significantly from the control. There was a reduction of 46% in nitrate leaching with the addition of mineral S (CAN+S and AS+CAN) compared to N only. The nitrate concentration standard for drinking water was not breached for treatments that included S (6.6–11 mg NO3–‐N L–1), whereas it was breached for those without S (23–40 mg NO3–‐N L–1). The S applied in the slurry treatment was not adequate (9 kg S ha–1) to meet plant requirements.

Conclusion

This study provides evidence that optimization of S nutrition has the potential to deliver large agronomic and environmental benefits along with potential as a nitrate leaching migration strategy on S‐deficient soils.
Interfacial activity and micellar morphology of an imidazolium ring containing zwitterionic surfactants
Authors: Ali Hazrat , Khan Azim , Ahmad Tauqeer , Dervisi Athanasia , Fallis Ian , Shoetan Ibrahim O. , Khan Abbas , Hussain Arshad , Griffiths Peter
Published: January 2022

Zwitterionic surfactants based on 3‐(1‐alkyl‐3‐imidazolio) propane‐sulfonate ([ImS3‐R] where R is octyl or dodecyl) is an emerging and important class of amphiphile due to their relevance as nano reactors for the synthesis of metallic nanoparticles and accelerated acid hydrolysis. The physicochemical properties of such synthesized imidazolium ring‐containing zwitterionic surfactants have been characterized by surface tension and small‐angle neutron scattering (SANS) techniques. Surface tension measurements were used to calculate several thermodynamic parameters over a range of concentrations and temperatures (298–313 K). The results obtained showed a weak signature representing the critical micelle concentration (CMC) for ImS3‐8, however, by increasing the alkyl length of the hydrophobic group to dodecyl, that is, ImS3‐8 to ImS3‐12, the signature of the CMC was much more evident. As expected, the CMC for ImS3‐12 shifted to a lower concentration. An increase in temperature increased the surface activity and decreased the CMC of both zwitterionic surfactants, although the changes were small. Compared to classical surfactants, that is, sodium dodecyl sulfate and dodecyl trimethylammonium bromide, the CMC of ImS3‐12 is much lower. Modeling of SANS data demonstrated that the morphology of the micelles formed by these amphiphiles may be described by the “classical” model, a central hydrophobic core, with a shell of hydrated headgroups. Due to their widespread applications in colloidal and interfacial science, the present study adds new insight to the fundamental understanding of these interesting imidazolium‐based surface‐active ionic liquids (ImS3‐R).
Embedding PbS quantum dots in MAPbCl0.5Br2.5 perovskite single crystal for near‐infrared detection
Authors: Liu Shilin , Yan Shikai , Zhu Zhuoya , Zhao Zhiwei , Elemike Elias Emeka , Onwudiwe Damian C. , Bae Byung Seong , Bin Shafie Suhaidi , Lei Wei , Li Qing
Published: January 2022

Organometal lead‐halide perovskites demonstrate excellent photovoltaic performance in the visible (Vis) region. However, their lack of response in the near‐infrared (NIR) region limits their applications in broadband photodetectors. Here, PbS quantum dots (QDs) were successfully embedded in MAPbCl0.5Br2.5 single crystal by solution‐processed epitaxial growth. Perovskites can effectively act as efficient charge transporters. The mobility of MAPbCl0.5Br2.5 with 1 wt% PbS quantum dots crystal is about 85 cm2/(V·S), which is similar to that of pure MAPbCl0.5Br2.5 single crystal. Meanwhile, the composite crystal exhibited a broadband response wavelength from the Vis (625 nm) to the NIR (850 nm) with fast response times (τon/τoff = 6/9 ms and τon/τoff = 19/43 ms in the Vis and NIR regions, respectively). The photodetector demonstrates a responsivity of 0.02 mA/W with a specific detectivity of 1.2 × 108 Jones under 5.1 mW/cm2 850‐nm illumination at 10‐V bias. These results suggest that we have obtained high‐quality composite crystals with improved photo response in the Vis to NIR region.
Carbon sequestration is not inhibited by livestock grazing in Danish salt marshes
Authors: Graversen Anna Elizabeth Løvgren , Banta Gary T. , Masque Pere , Krause‐Jensen Dorte
Published: January 2022

Climate change has created a need for solutions that can counteract greenhouse gas emissions. One is the expansion and maintenance of natural carbon (C)‐sequestration habitats, such as forests and coastal and marine vegetated ecosystems, socalled “blue carbon ecosystems” including salt marshes, which represent large and long‐term C‐storage potential. While salt marsh blue carbon is gaining international attention, Baltic and Nordic salt marshes have been neglected in the blue carbon context. Here, we quantified C‐stocks and C‐sequestration rates in grazed and nongrazed sites of three Danish salt marshes, and evaluated whether grazing livestock, the standard management to increase biodiversity of the marshes, affect C‐stocks and sequestration rates. The aboveground biomass and vegetation height in nongrazed salt marshes were significantly larger than for grazed salt marshes, but this did not lead to significantly enhanced overall sediment‐ or C‐accumulation rates. Detailed model analyses of sediment profiles even indicated significantly higher C‐densities in surface layers at grazed sites. Averaged C‐densities, C‐stocks (top 43 cm sediment) and sequestration rates estimated from 210Pb profiles ranged 0.011–0.022 g C cm−3, 4228–8178 g C m−2, and 17–45 g C m−2 yr−1, respectively, with the latter being low in the global context. While this pioneering study for the Baltic and Nordic regions showed a neutral to positive effect of grazing on C‐sequestration, there is a need to explore the overall C‐footprint of this practice, including effects on net greenhouse gas emissions and coastal defense capacity, and define blue carbon management strategies for salt marshes to maximize their climate change mitigation and adaptation capacity while supporting biodiversity.
Protein cycling in the eastern tropical North Pacific oxygen‐deficient zone: A de novo‐discovery peptidomic approach
Authors: Duffy Megan E. , Neibauer Jacquelyn A. , Adams Jamee , Lundeen Rachel A. , Rocap Gabrielle , Ingalls Anitra E. , Fuchsman Clara A. , Keil Richard G.
Published: January 2022

Peptides are identified using a de novo‐discovery approach in suspended and sinking particles from the eastern tropical North Pacific oxygen‐deficient zone (ODZ) and in a culture of a dominant autotroph from the region, the cyanobacterium Prochlorococcus. The benchmarking experiment with Prochlorococcus shows de novo peptides to be taxonomically specific, and thus of value in augmenting database‐driven approaches. Analysis of the suspended and sinking particles using the de novo‐discovery approach reveals the presence of fungal proteins in deep sinking particles that were not in our original search database, contributing to growing recognition that fungi may play important roles in marine organic matter cycling. Cyanobacterial peptides that have been post‐translationally modified were tracked to depth, where they contribute ~ 1% of the phylum‐level identifiable peptide pool in the sediment trap sample. The majority of peptides found at depth in the detrital pool are associated with membranes, indicating that cellular location is associated with early preservation within the detrital pool. Modified amino acids in sinking and suspended particles include high levels of deamidation, suggesting that partial extracellular degradation of protein could fuel observed anammox and contribute to pools of refractory organic nitrogen.
Reconciling models and measurements of marsh vulnerability to sea level rise
Authors: Coleman Daniel J. , Schuerch Mark , Temmerman Stijn , Guntenspergen Glenn , Smith Christopher G. , Kirwan Matthew L.
Published: January 2022

Tidal marsh survival in the face of sea level rise (SLR) and declining sediment supply often depends on the ability of marshes to build soil vertically. However, numerical models typically predict survival under rates of SLR that far exceed field‐based measurements of vertical accretion. Here, we combine novel measurements from seven U.S. Atlantic Coast marshes and data from 70 additional marshes from around the world to illustrate that—over continental scales—70% of variability in marsh accretion rates can be explained by suspended sediment concentratin (SSC) and spring tidal range (TR). Apparent discrepancies between models and measurements can be explained by differing responses in high marshes and low marshes, the latter of which accretes faster for a given SSC and TR. Together these results help bridge the gap between models and measurements, and reinforce the paradigm that sediment supply is the key determinant of wetland vulnerability at continental scales.
UV‐Curable Polyurethane Elastomer with UV‐Irradiation/Thermo Dual‐Activated Self‐Healability
Authors: Ye Juan , Lin Guanghong , Lin Ziqian , Deng Haoyu , Huang Junjie , Xiang Hongping , Rong Min Zhi , Zhang Ming Qiu
Published: January 2022

Self‐healable polyurethane elastomers have potential applications in many fields, however, their use is limited by single self‐healing mechanism, intricate preparation process, and long curing time. Herein, a UV‐irradiation/thermo dual‐induced self‐healing polyurethane elastomer is prepared by UV‐curing two kinds of acrylates, where one includes a quadruple hydrogen bond (PU‐UPy‐HEA) and the other contains a disulfide bond (SS‐MA). UV‐curing kinetics indicate that the conversion of acrylates is significantly improved by tuning the irradiation intensity, photoinitiator dosage, and SS‐MA content. A maximum conversion of 80% is achieved within 10 s under 200 mW cm−2 in the case of the 1.5 wt% photoinitiator. The tensile strength of UV‐cured polyurethane elastomer is notably improved by SS‐MA, whereas its elongation at break decreases. Tensile shear tests demonstrates that the bisected samples can be re‐bonded when they are repaired at 100 °C for 15 min, or under 200 mW cm−2 irradiation for 1 h. After that, ≈90% of shear strength is recovered and the strength is only slightly reduced after two healing cycles. Self‐healing mainly relies on thermally reversible hydrogen bonding interactions and UV‐induced disulfide metathesis. This UV‐cured self‐healable polyurethane elastomer can be used in smart coatings as well as in other fields.
An Aromatic Fluoropolymer for Hydrogen Separation from Hydrocarbons
Authors: Guan Jian , Lu Yanqiu , Du Lijun , Liang Canzeng , Wu Ji , Li Dongfei , Zhang Sui
Published: January 2022

Plasticization is a critical challenge in membrane‐based gas separation. Here a novel fluoropolymer, poly(trifluoro styrene) (PTFS), is reported for hydrogen separation from hydrocarbons. The polymer structure is first characterized by different techniques such as nuclear magnetic resonance (NMR) and positron annihilation lifetime spectroscopy (PALS). Then, gas separation performances of the polymer are studied. The separation of H2/CH4 is found to outperform most other fluorinated polymers and surpass the Robeson 1991 upper bound. Furthermore, the polymer demonstrates stable or increasing selectivity for hydrogen over hydrocarbons (e.g., CH4, C2H6, and C3H8) at higher pressure, suggesting excellent resistance to plasticization.
Photopatterning of Carbon Dots in Poly(vinyl alcohol) with Photoacid Generators
Authors: Wang Yixuan , Hao Xingtian , Peng Haiyan , Zhou Xingping , Xie Xiaolin
Published: January 2022

Carbon dots (CDs) have drawn considerable attention owing to their attractive photoluminescence, advantageous chemical tolerance, good biocompatibility, and so on. However, it remains challenging to tune their photoluminescence spatially and temporally due to their high photostability. Herein, a viable approach to in‐situ dialing the photoluminescence of CDs by using light in the presence of a photoacid generator (PAG, e.g., diphenyliodonium hexafluorophosphate) is demonstrated. Fluorescence quenching occurs upon light irradiation due to the protonation of pyridine and amino nitrogen atoms of CDs according to X‐ray photoelectron spectroscopy and cyclic voltammetry. As such, blue, green, and red color fluorescent patterns of CDs are ready to form in poly(vinyl alcohol) by light irradiation under photomask. These patterns not only show a controlled preservation time under room light, but also can be erased on demand by flood UV irradiation, which are promising for advanced anti‐counterfeiting such as shelf‐life based security and erasable encryption.
Synthesis and Characterization of Novel Radiopaque Polycarbonate
Authors: Fan You Kun , Feng Shao Min , Liu Xi Liang , Li Kai Qi , Chen Dong Liang , Xiong Cheng Dong
Published: January 2022

Polymeric materials implanted in the human body are usually invisible under X‐ray, and the mixing of heavy metal salts into polymeric materials by physical compounding often poses compatibility problems. A new iodine‐containing cyclic carbonate monomer, 4‐iodo‐N‐(2‐oxo‐1,3‐dioxan‐5‐yl)benzamide (IBTMC), is synthesized, which has a degradable carbonate group as its basic structural unit and iodine atoms attached to the side chain in the form of covalent bonds. The ring‐opening polymerization of IBTMC is achieved at room temperature under the catalysis of the solid superbase 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD). The structure and X‐ray developing ability of the synthesized polycarbonate are characterized by 1H‐NMR, X‐ray photoelectron spectroscopy (XPS), energy dispersive X‐ray spectroscopy (EDS), Gel Permeation Chromatography (GPC), and micro‐computed tomography (Micro‐CT). The iodine atoms remain bound to the polymer as covalent bonds after a series of reactions and exhibit a high level of X‐ray opacity. In vitro degradation experiments of the polymer prove that the polymer is degradable.
Image reconstruction from data over two orthogonal arcs of limited‐angular ranges
Authors: Zhang Zheng , Chen Buxin , Xia Dan , Sidky Emil Y. , Pan Xiaochuan
Published: January 2022

Purpose

Computed tomography (CT) scanning over limited‐angular ranges (LARs) is of practical interest in possible reduction of imaging dose and time and in design of nonstandard scans. This work aims to investigate image reconstruction for two nonoverlapping arcs of LARs, and to demonstrate that they may allow more accurate image reconstruction than may a single arc of LAR.

Methods

We consider a configuration with two nonoverlapping arcs of LARs and , whose centers are separated by , and refer to it as a two‐orthogonal‐arc configuration. Data are generated from a chest phantom with two‐orthogonal‐arc configurations over total angular coverage ranging from to , and images are reconstructed subsequently by use of the directional‐total‐variation (DTV) algorithm. For comparison, we also consider image reconstruction for a single‐arc configuration of angular range . Quantitative metrics such as the normalized root‐mean‐square‐error (nRMSE) are used for evaluation of image reconstruction accuracy.

Results

Visual inspection and quantitative analysis of images reconstructed reveal that a two‐orthogonal‐arc configuration generally yields more accurate image reconstruction than does its single‐arc counterpart. As total angular range increases, the DTV algorithm yields image reconstruction with enhanced accuracy, as expected. Also, if remains constant, the two‐orthogonal‐arc configuration with generally leads to image reconstruction more accurate than those of two‐orthogonal‐arc configurations with , as the nRMSE of the former can be lower than that of the latter for up to more than one order of magnitude.

Conclusions

Appropriately designed two‐orthogonal‐arc configurations may be exploited for improving image‐reconstruction accuracy in CT imaging with reduced angular coverage. This study may yield insights into the design of innovative CT scans for lowering scan time and radiation dose, and/or for avoiding scan collision in, for example, C‐arm CT.
A minimally invasive strategy to evacuate hematoma by synergy of an improved ultrasonic horn with urokinase: An in vitro study
Authors: Tang Junhui , Tang Jiawei , Zhu Qiong , Liao Yiyi , Bai Luhua , Luo Tingting , Feng Shuang , Liu Zheng
Published: January 2022

Objectives

In this study, Ultrasound Needle—an improved minimally invasive ultrasonic horn device was used to explore its potential of synergizing with urokinase in enhancing clots lysis in an in vitro intracranial hematoma model.

Materials and methods

Ten milliliter bovine blood was incubated for 3 h at 37℃, and coagulated into clot to mimic intracranial hematoma in vitro. Ultrasound Needle was an improved ultrasonic horn with a fine tip (1.80 mm) and metallic sheath, and had a frequency of 29.62 kHz. The 10,000 IU urokinase was injected through the metallic sheath during the vibration of Ultrasound Needle tip to lyse the clots for 8 min under different working parameter settings (n = 8) to explore the influence of parameters Amplitude (%) and Duty (%) on clot lysis weight (W0). The maximum temperatures were measured by an infrared thermometer during the treatment process. The W0 of different treatment groups (US (Ultrasound Needle), US + NS (normal saline), UK (urokinase), US + UK, n = 8) were compared to verify the synergistic lysis effect of Ultrasound Needle combined with urokinase at optimal working parameters (40% Amplitude, 20% Duty; input power 4.20 W; axial tip‐vibration amplitude 69.17 μm). Clots samples after treatment were fixed overnight for macroscopic examination. And fluorescent frozen sections and scanning electron microscopy examination were performed to show microscopic changes in clots and evaluate the cavitation effect of Ultrasound Needle on promoting drug diffusion within the clots.

Results

The clot lysis weight W0 increased with the parameters Amplitude (%) and Duty (%), reached a peak (2.435 ± 0.137 g) at 40% Amplitude and 20% Duty (input power 4.20 W), and then decreased. Higher Amplitude (%) and Duty (%) led to higher maximum temperature, and W0 was negatively correlated with the maximum temperature after the peak (r = −0.958). At the optimal parameter setting, the maximum temperature was 33.8 ± 0.9℃, and the W0 of the US + UK group was more than four times of UK alone group (2.435 ± 0.137 g vs. 0.607 ± 0.185 g). Fluorescent frozen sections confirmed that the ultrasound energy of Ultrasound Needle could mechanically damage the clot tissues and promote the intra‐clots drug diffusion. Macroscopic examination showed that US + UK group caused larger clots lysis area than UK alone group (2.08 cm2 vs. 0.65 cm2). In addition, electron microscopy examination exhibited that the fibrin filaments of the clots in US + UK group were lysed more thoroughly compared to single treatment groups.

Conclusions

Ultrasound Needle, an improved ultrasonic horn device, can mechanically damage the clot tissues and exhibit an excellent synergistic lysis effect with thrombolytic drugs. Therefore, Ultrasound Needle has great potential in providing a new minimally invasive strategy for rapid intracranial hematoma evacuation.
Do Carrots Work Better than Sticks? Results from the National Child Support Noncustodial Parent Employment Demonstration
Authors: Cancian Maria , Meyer Daniel R. , Wood Robert G.
Published: January 2022

Most children in the United States will spend at least part of their childhood living apart from one of their parents; the child support system is designed to ensure that they nonetheless receive financial support. While the system is largely effective when noncustodial parents have substantial regular earnings, many noncustodial parents, including a disproportionate share of those whose children live in poverty, have limited earnings and ability to pay child support. The system's response to nonpayment is primarily “sticks,” that is, threats and punishments. Nonexperimental evaluations of alternative approaches have shown promise. The National Child Support Noncustodial Parent Employment Demonstration (CSPED), a large‐scale random‐assignment evaluation enrolling more than 10,000 noncustodial parents across 18 locations in eight states, was designed to test the effectiveness of an alternative approach—adjusting child support orders, reducing punitive enforcement, and offering employment and parenting services. We find that CSPED, using carrots in place of sticks, substantially increased the satisfaction of noncustodial parents with child support services, lowered the amount of support owed, and increased noncustodial parents’ sense of responsibility for their children. However, CSPED had limited to no effects on child support compliance, child support payments, or employment outcomes.
High accuracy precision microlens arrays
Authors: Jain Chhavi
Published: January 2022

The demand for micro‐optics with highest form accuracy and minimal design errors has shot up with rampant miniaturization of commercial optical systems. Strict design tolerances are further fueled by precision alignment procedures adopted in systems with limited space and short optical path lengths. When it comes to high optical and mechanical design accuracy and superior performance, precision glass molding offers one of the best solutions for the commercial production of micro‐optical lenses and lens arrays. The high part‐to‐part manufacturing reproducibility and advanced in‐house metrology solutions make sure that customer design requirements are met throughout the product lifetime.
Comparing the sheet metal welding performance of different lasers
Authors: Song Lulu
Published: January 2022

Laser technology has developed progressively over the last sixty years. It is commonly used for traditional processing applications, for example for cutting, marking and welding, especially in industries such as aerospace that are exploiting the use of advanced materials.
Augmented / virtual / mixed reality systems optical terminology
Authors: Resnik Olga , Arazi Yosi , Kaganovitz Yoni , Levy‐Beeri Assaf
Published: January 2022

The AR / VR / MR systems field has recently expanded to many different applications and markets, and created a need for a common language to clear the misunderstanding and misinterpretation of terminology and to ensure efficient communication. We want to share our experience of more than two decades with the professional community and create a standard for everyone, starting from entrepreneurs with use case and application ideas, system engineers that define the system architecture and requirements, optical designers and engineers that develop these systems, assembly and testing engineers, and technicians.
Thermal stability and non‐isothermal kinetics of poly(ethyl cyanoacrylate) nanofibers
Authors: Georgieva Velyana G , Simeonova Margarita Y , Turmanova Sevdalina Chr , Marinov Nikolay M
Published: January 2022

A thermogravimetric study of poly(ethyl cyanoacrylate) nanofibers was carried out at five heating rates with a linear increase in the temperature in a nitrogen atmosphere. The data provided by the thermogravimetric study were used to evaluate the kinetics of the degradation process using three isoconversional methods. Considering that the kinetic parameters of the process depend on the reaction mechanism, various approaches were applied in order to determine the most probable mechanism function. In this respect, the mechanism of thermal degradation of poly(ethyl cyanoacrylate) is a phase boundary reaction with cylindrical symmetry (F0.5 function) as demonstrated by the z(α) master plots method, iso‐temperature method and isoconversional method. On their basis, the values of the kinetic triplet (Ea, A and the shape of the most appropriate f(α) function) of the process were obtained, and subsequently the thermodynamic functions of the activated complex formation were calculated. The thermal stability of the polymer was predicted according to the integral procedure decomposition temperature. © 2022 Society of Chemical Industry.
A new approach toward modeling of mixed‐gas sorption in glassy polymers based on metaheuristic algorithms
Authors: Khoshhal Salestan Saeed , Rahimpour Ahmad , Abedini Reza , Soleimanzade Mohammad Amin , Sadrzadeh Mohtada
Published: January 2022

Modeling mixed‐gas sorption has always been associated with computational challenges due to the existence of two or more conflicting objective functions. This study aims to use an artificial intelligence approach toward modeling mixed‐gas sorption in PIM‐1 and TZ‐PIM polymeric membranes. Non‐dominated sorting genetic algorithm (NSGA‐II) has been applied to identify the extended Henry‐Langmuir (EHL) isotherm based on CO2‐CH4 mixed‐gas sorption data. Also, the group method of data handling (GMDH) neural network is implemented to obtain a formula for the calculation of equilibrium partial pressure corresponding to three effective parameters, which are easily measurable. The formula provides an accurate estimation from the equilibrium relationship between the partial pressure of each gas in the binary gas mixtures over the PIM‐1 and TZ‐PIM membranes. Eventually, the calculated coefficients of EHL isotherm and obtained formula for computing the partial pressure of each component are simultaneously applied into the isotherm model to predict the mixed‐gas sorption behavior. The results showed that the computed lines well reproduce the experimental data points, proving that the applied artificial intelligence approach offers a suitable approximation for mixed‐gas sorption.
Heterotic String Model Building with Monad Bundles and Reinforcement Learning
Authors: Constantin Andrei , Harvey Thomas R. , Lukas Andre
Published: January 2022

We use reinforcement learning as a means of constructing string compactifications with prescribed properties. Specifically, we study heteroticGUT models on Calabi‐Yau three‐folds with monad bundles, in search of phenomenologically promising examples. Due to the vast number of bundles and the sparseness of viable choices, methods based on systematic scanning are not suitable for this class of models. By focusing on two specific manifolds with Picard numbers two and three, we show that reinforcement learning can be used successfully to explore monad bundles. Training can be accomplished with minimal computing resources and leads to highly efficient policy networks. They produce phenomenologically promising states for nearly 100% of episodes and within a small number of steps. In this way, hundreds of new candidate standard models are found.
Cu‐Promoted Pt/Ce0.5Zr0.5Ox Catalyst for Ammonia Production Reaction of Passive SCR from Nitric Oxide and Hydrogen
Authors: Liu Min , Yan Ruining , Wang Yinan , Zhao Xuteng , Dongdong Guo , Honglin Cao , Zhan Reggie , Lin He
Published: January 2022

In response to stricter emission regulations, lean‐burn engines have attracted more and more attention. However, lean burn engines would inevitably lead to the increase in NOx emissions. The researchers combined Three‐Way Catalyst (TWC) and Selective Catalytic Reduction (SCR) to propose “passive SCR”, which makes the engine periodically switch between rich and lean burn. During rich combustion, ammonia is produced by the TWC catalyst, stored in the downstream SCR, and reacts with NOx during lean combustion, in which increasing the ammonia yield on the TWC catalyst is the key. In this study, the self‐propagating high‐temperature synthesis method was used to modify the catalyst by adding copper to improve the ammonia production efficiency. The conversion rate of catalysts with different copper doping ratios from NO to ammonia was measured. Through XRD, BET, H2‐TPR, TEM, HRTEM, XPS, in‐situ DRIFTS, etc., the improvement mechanism of copper doping was analysed. The results showed that Pt0.01Cu0.1Ce0.45Zr0.45Ox had the highest catalytic activity, the widest reaction temperature window (300–550 °C) with the conversion greater than 96 %. The characterization results showed that appropriate amount of copper doping can adjust the valence distribution, form more oxygen vacancies, and improve the distribution of active species. The in‐situ DRIFTS further demonstrated that the conversion from bridged to monodentate and bidentate nitrate may be the key factors on the catalyst surface.
Rational Design of 0D/2D WO3/g‐C3N4 Z‐scheme Hybrid for Improving Photocatalytic Dye Degradation
Authors: Okoroafor Esther C. , Maouche Chanez , Liu Qinqin , Hong Xiaoyang , Rao Shaosheng , Umba F. M. , Yang J.
Published: January 2022

A Zero‐dimensional/two‐dimensional (0D/2D) tungsten trioxide/graphitic carbon nitride (WO3/g‐C3N4) Z‐scheme hybrid was prepared by employing a simple calcination process. Then, the photocatalytic property of the WO3/g‐C3N4 hybrids was assessed through their efficiency in the degradation of toxic industrial dye pollutant, Rhodamine B (RhB) and phenol under visible light irradiation. From the results and analysis, the 1 % WO3/g‐C3N4 composite with a larger Brunauer‐Emmett‐Teller (BET) surface area of 41.14 m2 g−1 compared to the pristine g‐C3N4 (25.25 m2 g−1) presented the uppermost improvement in the photocatalytic performance contrasted to both WO3 and g‐C3N4. It achieved the degradation of RhB and phenol with an efficiency of 96 % in 15 min and 98.5 % in 30 min, respectively. X‐ray photoelectron spectroscopy (XPS) results confirmed the existence of the internal electric field. The enhanced activity was attributed to the homogeneous distribution of the WO3 nanoparticles on the g‐C3N4 nanosheets with intimate interface and matched band gap structure which favored the construction of the Z‐scheme hybrid, therefore boosting the electron‐hole separation efficiency and maintaining the strong redox capability for photocatalytic degradation.
Design and Synthesis of Angiotensin Converting Enzyme (ACE) Inhibitors: Analysis of the Role of Tetrazole Ring Appended to Biphenyl Moiety
Authors: Bayannavar Praveen K. , Kamble Ravindra R. , Joshi Shrinivas D. , Nesaragi Aravind R. , Shaikh Saba Kauser J. , Sudha Belgur S. , Dodamani Suneel S. , Hoolageri Swati R.
Published: January 2022

Novel biphenyl compounds bearing triazolones have been designed and synthesized with an aim to explore the paramount set of molecules as antihypertensive agents. Our efforts have been directed towards the synthesis of Triazolyl‐biphenyl compounds containing different groups at ortho position of the biphenyl ring. In particular, cyano, tetrazole and oxadiazole substituents at the ortho position of biphenyl ring were synthesized and structures of all these previously unknown 16 molecules were confirmed by their spectral characterizations. Binding modes for these compounds were evaluated by docking in a theoretical Human angiotensin converting enzyme (ACE) in complex with Lisinopril. These novel compounds were evaluated for the in vitro ACE inhibition and the results were compared to Lisinopril. Results indicated that the tetrazole containing compounds have shown significant inhibitory activity than the other compounds which are in good agreement with the docking results.
Exploring New Tetrahydrothienopyridine Derivatives as Platelet Agglutination Inhibitors: Synthesis, Biological Evaluation and In Silico Study
Authors: Lodha Kamlesh K. , Wavhal Deepak S. , Bhalekar Sujit B. , Meshram Rohan J. , Shinde Vaishali S.
Published: January 2022

The P2Y12 receptor is the major target for antithrombic drugs which plays a key role in platelet activation. New derivatives of 4,5,6,7‐tetrahydrothieno[3,2‐c]pyridine (THP) were designed targeting P2Y12 receptor. An efficient route was developed for synthesis of THP derivatives and subsequently evaluated for their antiplatelet agglutination activity. Amongst the synthesized THP derivatives (4 a–4 g), the compounds 4 a and 4 g displayed significant activity (with 88.25 and 70.17 % inhibition) as compared to other analogs and comparable with that of the reference drugs, aspirin and prasugrel. Data extracted from computational chemistry techniques such as molecular docking, provided the structural rationale for the observed platelet agglutination inhibition by the newly synthesized tetrahydrothienopyridine analogs. We proposed the involvement of residues such as Cys‐194 in the formation of the covalent adduct with the active metabolite of tetrahydrothienopyridine derivatives. This study also put forward the possibility of the existence of an alternate pathway for metabolizing the tetrahydrothienopyridine compounds. The structural data presented in this study is expected to accelerate the research on developing a tetrahydrothienopyridine scaffold as an effective antithrombotic therapeutic modality.