bluuebunny/crossref_metadata_2025 huggingface dataset:
Gender bias in postgraduate year one pharmacy letters of recommendation
Authors: Sahlstrom Drury Anna , Bookstaver P. Brandon , Chang Kevin , Cook Aaron M. , Hobbs Brandon , Leung Jonathan , Moon Jean , Nei Scott , Schadler Aric , Witenko Corey , Bissell Brittany D.
Published: April 2023

Introduction

Letters of recommendation (LORs) are important in pharmacy residency applications. Applicant gender, among other variables, may result in implicit biases that could impact LORs and/or residency attainment. This study hypothesized that LORs have linguistic gender differences in pharmacy residency applications.

Objectives

The primary objective was to determine if gender‐linguistic differences exist in applicants' LORs. Gender was assessed via the pronouns utilized within the applications. The secondary outcome was to assess LOR linguistic and demographic differences between candidates who did and did not receive interviews.

Methods

This was a multiyear, multicenter study involving postgraduate year one (PGY1) applicants to participating pharmacy residency programs. Demographic data were extracted using the PhORCAS (Pharmacy Online Residency Centralized Application Service) WebADMIT (Admissions Management System) portal, and LORs were analyzed by validated linguistics processing software.

Results

A total of 7529 LORs and 2383 applicants (28.5% men, 71.5% women) were included. Women candidates had higher mean number of awards (4.71 vs. 4.1, p = 0.001) and leadership positions (4.87 vs. 4.48, p = 0.019). Compared with men candidates, women had statistically significantly higher levels of clout (p < 0.001), positive emotion (p = 0.01), social processes (p < 0.001), prosocial behavior (p = 0.002), and social referents (p < 0.001). Women also had lower authenticity compared with men candidates (p < 0.001). Two thousand and one hundred twenty applicants included in the secondary analysis found no difference in offer to interview between women and men candidates (odds ratio [OR] 1.173 [95% confidence interval (CI) 0.895–1.57], p = 0.247).

Conclusions

Men and women applicants' LORS differed in specific linguistic variables, although offer to interview was not significantly different based on gender. LOR writers and programs should consider implicit biases that could affect residency offers to interview.
Hyperspectral imaging of lipids in biological tissues using near‐infrared and shortwave infrared transmission mode: A pilot study
Authors: Golovynskyi Sergii , Golovynska Iuliia , Roganova Olena , Golovynskyi Andrii , Qu Junle , Ohulchanskyy Tymish Y.
Published: April 2023

Label‐free hyperspectral imaging (HSI) of lipids was demonstrated in the near‐infrared (NIR) and shortwave infrared (SWIR) regions (950–1800 nm) using porcine tissue. HSI was performed in the transmission light‐pass configuration, using a NIR–SWIR camera coupled with a liquid crystal tunable filter. The transmittance spectra of the regions of interest (ROIs), which correspond to the lipid and muscle areas in the specimen, were utilized for the spectrum unmixing. The transmittance spectra in ROIs were compared with those recorded by a spectrophotometer using samples of adipose and muscle. The lipid optical absorption bands at 1210 and 1730 nm were first used for the unmixing and mapping. Then, we performed the continuous multiband unmixing over the entire available spectral range, thereby, considering a combination of characteristic absorption bands of lipids, proteins, and water. The enhanced protocol demonstrates the ability to visualize small adipose inclusions of 1–10 μm size.
Corrosion resistance of amorphous AlPO4 coating in salty atmospheres
Authors: Sayyedan Fatemehsadat , Enayati Mohammadhossein , Taghipour Masoud , Ghasemizadeh Pegah
Published: April 2023

The objective of the present study was to introduce a cost‐effective and environmentally friendly coating to improve the corrosion resistance of the structures located in salt water. The coating solution, based on amorphous aluminum phosphate composition, was synthesized by sol–gel process and applied to AISI 304 stainless steel by dip coating technique. X‐ray diffraction, scanning electron microscopy, and energy dispersive X‐ray spectroscopy analyses were employed to investigate the phase composition and morphology of the coating. Corrosion behavior of the uncoated and coated samples was investigated using standard salt spray test, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS) in 3.5 wt.% NaCl solution. Salt spray test results for the bare substrate revealed a corrosion rate of six‐time greater than that of the coated surface after 168 hr exposure time. Electrochemical test results declared that the amorphous AlPO4 coating decreased the corrosion current density of the AISI 304 stainless steel by 10 orders of magnitude. Furthermore, according to the corresponding EIS measurements, the coated surface exhibited a superior anti‐corrosion performance than uncoated sample. Overall, the results declared that the amorphous AlPO4 coating could be a good choice for surface protection of stainless steel against electrochemical corrosion in salty environments.
State of research in adult Hospital Medicine: Updated results of a national survey and longitudinal analysis of national data
Authors: Pappas Matthew A. , Jenkins Ashley M. , Horstman Molly J. , Rohatgi Nidhi , Press Valerie G. , Prochaska Micah T. , Michtalik Henry J. , Sigmund Alana , Pavon Juliessa M. , Bhandari Sanjay , Gupta Vineet , Taylor Stephanie Parks ,   the Society of Hospital Medicine Research Committee
Published: April 2023

We sought to understand the current state of research in adult Hospital Medicine by repeating a 2018 survey of leaders in Hospital Medicine with changes to improve the response rate of surveyed programs. We also analyzed the public sources of federal research funding and MEDLINE‐indexed publications from 2010 through 2019 among members of the Society of Hospital Medicine (SHM). Of the 102 contacted leaders of Hospital Medicine groups across the country, 49 responded, for a total response rate of 48%. Among the 3397 faculty members represented in responding programs, 72 (2%) of faculty were identified as conducting research for more than 50% of their time. Respondents noted difficulties at every stage of the research development pipeline, from a lack of mentors to running a fellowship program to a lack of applicants seeking further research training. Improvements to our research training pipeline will be essential to the long‐term improvement of our profession.
Association Between MRI‐Assessed Patterns of Connectome Gradient and Gene‐Expression Profiles in Two Independent Patient Cohorts With Hepatitis B Virus‐Related Cirrhosis
Authors: Lin Shiwei , Qi Rongfeng , Lin Xiaoshan , Chen Shengli , Zhang Longjiang , Qiu Yingwei
Published: April 2023

Background

Patients with hepatitis B virus‐related cirrhosis (HBV‐RC) exhibit progressive neurologic dysfunction from primary sensorimotor to high‐order cognition, as their disease advances. However, the exact neurobiologic mechanisms and the potential association with gene‐expression profiles are not fully understood.

Purpose

To explore the hierarchical disorganization in the large‐scale functional connectomes in HBV‐RC patients and to investigate its potential underlying molecular basis.

Study Type

Prospective.

Population

Fifty HBV‐RC patients and 40 controls (Cohort 1) and 30 HBV‐RC patients and 38 controls (Cohort 2).

Field Strength/Sequence

Gradient‐echo echo‐planar and fast field echo sequences at 3.0 T (Cohort 1) and 1.5 T (Cohort 2).

Assessment

Data were processed with Dpabi and the BrainSpace package. Gradient scores were evaluated from global to voxel level. Cognitive measurement and patients grouping were based on psychometric hepatic encephalopathy scores. The whole‐brain microarray‐based gene‐expression data were obtained from the AIBS website.

Statistical Tests

One‐way ANOVA, chi‐square test, two‐sample t‐test, Kruskal–Wallis test, Spearman's correlation coefficient (r), the gaussian random field correction, false discovery rate (FDR) correction and the Bonferroni correction. Significance level: P < 0.05.

Results

HBV‐RC patients exhibited a robust and replicable connectome gradient dysfunction, which was significantly associated with the gene‐expression profiles in both cohorts (r = 0.52 and r = 0.56, respectively). The most correlated genes were enriched in γ‐aminobutyric acid (GABA) and GABA‐related receptor genes (FDR q value <0.05). Moreover, the connectome gradient dysfunction at network level observed in HBV‐RC patients correlated with their poor cognitive performance (Cohort 2: visual network, r = −0.56; subcortical network, r = 0.66; frontoparietal network, r = 0.51).

Data Conclusion

HBV‐RC patients had hierarchical disorganization in the large‐scale functional connectomes, which may underly their cognitive impairment. In addition, we showed the potential molecular mechanism of the connectome gradient dysfunction, which suggested the importance of GABA and GABA‐related receptor genes.

Evidence Level

2

Technical Efficacy

Stage 2
Multivariate image analysis applied to quantitative structure–activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitors
Authors: Capucho Luiz R. , Pereira Ingrid V. , de Faria Adriana C. , Daré Joyce K. , da Cunha Elaine F. F. , Freitas Matheus P.
Published: April 2023

Background

Mesotrione is a triketone widely used as an inhibitor of the hydroxyphenylpyruvate deoxygenase (HPPD) enzyme. However, new agrochemicals should be developed continuously to tackle the problem of herbicide resistance. Two sets of mesotrione analogs have been synthesized recently and they have demonstrated successful phytotoxicity against weeds. In this study, these compounds were joined to form a single data set and the HPPD inhibition of this enlarged library of triketones was modeled using multivariate image analysis applied to quantitative structure–activity relationships (MIA‐QSAR). Docking studies were also carried out to validate the MIA‐QSAR findings and to aid the interpretation of ligand‐enzyme interactions responsible for the bioactivity (pIC50).

Results

The MIA‐QSAR models based on van der Waals radii (rvdW), electronegativity (ε), and the rvdW/ε ratio as molecular descriptors were both predictive to an acceptable degree (r2 ≥ 0.80, q2 ≥ 0.68 and r2pred ≥ 0.68). Subsequently, partial least squares (PLS) regression parameters were applied to predict the pIC50 values of newly proposed derivatives, yielding a few promising agrochemical candidates. The calculated log P for most of these derivatives was found to be higher than that of mesotrione and the library compounds, indicating that they should be less prone to leach out and contaminate groundwater.

Conclusion

Multivariate image analysis descriptors corroborated by docking studies were capable of modeling the herbicidal activities of 68 triketones reliably. Due to the substituent effects at the triketone framework, particularly of a nitro group in R3, promising analogs could be designed. The P9 proposal demonstrated higher calculated activity and log P than commercial mesotrione. © 2023 Society of Chemical Industry.
Reducing pressure and increasing peak capacity by incorporating an adaptable flow stream splitting platform to high‐performance liquid chromatography columns: A study on C18 silica‐based monoliths
Authors: Shalliker Ross Andrew
Published: April 2023

In this study, an adaptable end‐column platform was fitted to a commercially available monolith, which enabled the column to be fitted with a flow‐splitting device. A variety of flow‐splitting adapters could be incorporated into the platform, and in this study, a radial flow stream splitter was utilized. The advantage of the radial flow stream spitter was that it overcame issues relating bed density variations that could cause bands to distort in the radial cross‐section of the column. Using propylbenzene as a test standard in isocratic elution mode, height equivalent to a theoretical plate curves were constructed across ten flow rates, and it was found that the column efficiency improved by as much as 73%. Furthermore, the dual outlet flow splitter enabled a very substantial reduction in column back pressure, with the decrease being consistently between 20 to 30% depending on the column length. Additionally, sensitivity increased by 45%, consistent with the observed increase in efficiency. The adaptable end‐column platform could be retrofitted to almost any commercial column with the expectation of gaining efficiency, sensitivity, and reducing back pressure.
Theoretical kinetics investigations of the reaction HO + SO ↔ H + SO2 on an accurate full‐dimensional potential energy surface
Authors: Huang Xiaoshan , Qin Jie , Zhang Jianxun , Li Jun
Published: April 2023

The reaction HO + SO → H + SO2 (Rt) and its reverse (R‐t) play an important role in environment and the combustion of sulfur‐containing fuels. However, their kinetics is of high uncertainty as its reaction profile is complicated with multiple deep complexes and channels. In this work, the kinetics and mechanisms of Rt and R‐t are studied comprehensively based on a newly developed full‐dimensional accurate potential energy surface (PES) with the aid of machine learning. This highly accurate PES is interfaced with the software Gaussian. Then reliable information, including the energy, structures, and vibrational frequencies of the stationary points, as well as the minimum energy path and variational analysis can be efficiently determined. The variational transition state theory (VTST) and Rice−Ramsperger−Kassel−Marcus (RRKM) theory are employed to obtain the rate coefficients of each elementary reaction. The temperature‐ and pressure‐dependent rate coefficients of Rt are derived by the RRKM‐based master equation with hindered rotor and free rotor model considered. In addition, the effect of isotope substitution for the hydrogen is investigated on the reaction kinetics. Meanwhile, the quasi‐classical trajectory (QCT) calculation is performed on the PES‐2020 to obtain the temperature‐dependent reaction kinetics.
Combined application of controlled‐release phosphate and triple superphosphate improved cotton yield and phosphorus supply in saline‐alkali land: A short‐term trial
Authors: Lv Dongqing , Zheng Wenkui , Feng Haojie , Qiu Tingyao , Bao Xiuying , Liu Yanli , Li Chengliang
Published: April 2023

Degradation of agricultural productivity in sodic and saline soils is attributed to reducing phosphorus (P) supply capacity. The available P supply intensity and crop yields could be enhanced by artificial P fertilizer application. The effects of blending 70% controlled‐release phosphorus (CRP) and 30% triple superphosphate (TSP) on cotton physiological‐biochemical properties in sodic and saline soils were investigated by a pot incubation trial. A pot experiment was used two types of P fertilizers and three P levels (120, 96 and 72 kg P2O5 ha−1). The results showed that the SPAD value and photosynthetic rate of BBF (blending 70% CRP and 30% TSP) treatments were higher than that of TSP treatments. The root length, root surface area, and root volume of the BBF treatments increased by 10.04% and 5.31%, 3.67% and 6.80%, 3.05% and 13.77% compared to TSP treatments, respectively. In comparison with TSP1 (full‐dose of TSP) and TSP2 (to reduce 20% dose of TSP), the average lint yield of BBF1 (full‐dose of BBF) and BBF2 (to reduce 20% dose of BBF) were significantly increased by 8.35%, 7.39%, respectively. The phosphorus use efficiency of BBF2 treatment was increased by 16.59%–22.87% compared with TSP2 treatment, with the largest increase range. Furthermore, soil available P content of BBF treatments increased by 4.65%–76.77% compared with TSP treatments from the blooming to maturity stage. In a word, with P fertilization rate reduced by 20%, the combination of two P fertilizers (BBF2 treatment) can achieve high quality and high yield of cotton in sodic and saline soil.
Synergistic effects of vegetation restoration and check dams on water erosion in a slope‐gully system
Authors: Bai Lulu , Shi Peng , Li Zhanbin , Li Peng , Zhao Zhun , Dong Jingbin , Cui Lingzhou , Niu Hongbo , Zu Pengju , Cao Manhong
Published: April 2023

Restoring vegetation and constructing check dams are important measures for controlling water erosion in slope‐gully systems. However, percolation through the dam body could lead to shortened runoff paths in the gully. Moreover, the synergistic effects of vegetation patterns and siltation‐induced runoff path length decrease (RPLD) in slope‐gully systems on reducing water erosion remain unclear. In this study, 20 physical models of slope‐gully systems were constructed to quantitatively evaluate the synergistic effect of these measures under simulated rainfall. The models included four slope vegetation patterns (no vegetation, up‐slope, middle‐slope, and down‐slope) and five levels of RPLD in the gully (0, 1, 2, 3, and 4 m). Owing to synergistic effects, combined measures led to a more considerable reduction in soil and water loss than a single measure. Furthermore, the synergistic effect was related to vegetation patterns and shorter siltation‐induced runoff paths. The mean synergistic effect produced the following runoff yield order: down‐slope (2.84%) > middle‐slope (2.81%) > up‐slope (1.78%); and 4 m (3.18%) > 3 m (2.66%) > 2 m (2.29%) > 1 m (1.78%). The sediment yields were in the following order: down‐slope (18.15%) > middle‐slope (12.63%) > up‐slope (6.67%), and 4 m (14.56%) > 3 m (12.82%) > 2 m (11.73%) > 1 m (10.82%). These results suggest that revegetation of the lower parts of the slope, along with check dams, will be more effective for controlling soil erosion. Such synergistic effects should be considered in future soil erosion modeling.
Active Learning as a Tool for Optimizing “Plug‐n‐Play” Electrochemical Atom Transfer Radical Polymerization
Authors: Zhao Boyu , Cheng Jiahao , Gao Junlong , Haddleton David.M. , Wilson Paul
Published: April 2023

A recently reported “plug‐n‐play” approach to simplified electrochemical atom transfer radical polymerization (seATRP) is investigated using machine learning. It is shown that Bayesian optimization via an active learning (AL) algorithm accelerates optimization of the polymerization of oligo(ethylene glycol methyl ether acrylate)480 (OEGA480) in water. Molecular weight distribution (Mw/Mn; dispersity; Ɖm) is the output selected for optimization targeting poly(oligo[ethylene glycol methyl ether acrylate]) (POEGA480) with low dispersity (Ɖm < 1.30). Input variables included applied potential (Eapp), [M] and [M]/[I], which led to a potential space of 275 possible reaction conditions. From a training data set of seven reactions, selected to yield uncontrolled POEGA480 with higher dispersities (Ɖm > 1.5), ten iteration loops are performed. During each iteration the algorithm suggests the next reaction conditions. The reactions are then performed and the conversion, number average molecular weight (Mn) and Ɖm values are recorded and the Ɖm values fed back into the algorithm. Overall, 80% of the experiments yield POEGA with Ɖm < 1.30. Conversely, only 30% of experiments performed using reaction conditions selected at random from the possible reaction space yield POEGA with Ɖm < 1.30. This study suggests that adopting AL methods can improve the efficiency of optimizing a given seATRP reaction.
A study on the forecast model of winter precipitation type in Liaocheng based on physical parameters
Authors: Shi Weiheng , Hu Youbin
Published: April 2023

In this study, 46 physical parameters are first calculated by using the hourly ground observational data of Liaocheng Airport station and the daily sounding data of Xingtai station and Zhangqiu station in the winters of 2016–2020. After the significance test of the correlation coefficients between the physical parameters and the precipitation types, six physical parameters that could be used in the operational weather forecast at Zhangqiu station and Xingtai station are selected by the methods of box‐plot and skill score based on the distribution characteristics of physical parameters under different precipitation types. Moreover, the judgment criteria for the winter precipitation forecast in Liaocheng are obtained by analyzing the indication effect and thresholds of each physical parameter in different precipitation types. In addition, a forecast model of winter precipitation type in Liaocheng is established by using the extended membership function transformation method with the sounding data from the nearest upstream and downstream stations. The verification with observations shows that the forecast accuracy is above 85% and the model performs quite well. We hope this study can provide a good reference for related operational forecasts in the areas without local sounding data or numerical forecast product receiving.
Development of wideband CPW‐fed microstrip patch antenna on textile substrate
Authors: Somasundaram Arulmurugan , Thengalpalayam Rajamanickam Suresh Kumar , Alex Zachariah C.
Published: April 2023

A wideband flexible coplanar microstrip patch (CPW) antenna is developed on a felt substrate to radiate from 1.4 to 3 GHz. The dimension of the antenna is 0.37λ × 0.37λ × 0.007λ, developed on felt, which is a flexible textile material with a 1.38 dielectric constant. The patch and ground are printed on the same side of the substrate, where a semi‐circular slot is etched on the patch, and symmetric slots are etched on the ground to achieve wide bandwidth (73%). CPW feed impedance is matched with the connector impedance using the modified feed line. The felt antenna has a measured peak gain of 4.7 dB at 2.45 GHz. Moreover, the performance of the textile antenna under different bending conditions are experimentally carried out. The antenna bandwidth is reduced due to a decrease in bending angle, but still, the antenna operates at the required bandwidth of 1.8–2.9 GHz (upto 80 mm radius).
Healthcare teams' ethical obligations towards care of adolescents' living with human immunodeficiency virus disease
Authors: Joseph Renatha S. , Frumence Gasto , Sirili Nathanael , Ulrich Connie M.
Published: April 2023

Aim

To explore healthcare team members' perceptions of their ethical obligations toward HIV‐positive adolescents and their enrolment in and adherence to antiretroviral therapy among adolescents attending a Care and Treatment Center (CTC) in Temeke Regional Referral Hospital in Tanzania.

Design

This is a descriptive exploratory qualitative study.

Methods

A total of 16 healthcare team members were purposively selected from the hospital CTC to participate in in‐depth qualitative interviews. With the aid of NVivo software, qualitative thematic analysis was used to analyze the information.

Results

Five themes on ethical obligations emerged: (1) informing adolescents of their status before enrolment to the HIV CTC, (2) securing adolescents’ confidential information, (3) disclosing adolescents' HIV status, (4) informing others about the adolescent’s HIV status; and (5) offering reproductive health education for adolescents living with HIV.

Conclusion

The healthcare team faces many ethical challenges in the care and support of adolescents who enroll in an HIV CTC in Tanzania. Differing ethical obligations must be balanced with the needs of adolescents and their parents in discerning what is in the best interest of the adolescent and advocating for life‐saving treatment.
Interpretation and modeling of aeromagnetic data from helicopter surveys of the Morobe goldfield, Papua New Guinea
Authors: Craig Mitchell S. , Noku Shadrach
Published: April 2023

We interpreted and modelled aeromagnetic data from helicopter surveys of the Morobe goldfield, Papua New Guinea, by comparing gridded magnetic data with mapped surface geology. In some cases, geologic units may be recognized and distinguished based on contrasts in magnetic intensity and texture, including the Morobe Granodiorite, Kaindi Metamorphics, Bulolo Volcanics, and Langimar Beds. Magnetic anomalies occur due to intrusions of Edie Porphyry and related igneous rocks that are associated with gold mineralization. Numerous faults control the size and shape of the intrusions. Magnetic anomalies of interest were identified in gridded data from high‐resolution surveys and modelled using flight line data. Two‐dimensional magnetic models included dipping slabs with thicknesses of 100–400 m. Three‐dimensional models were prepared, including a dipping tabular body and a dipping cylinder. A 2008 survey of the Papuan peninsula sponsored by the European Union (EU) provided continuous coverage of the Morobe goldfield area and helped resolve regional features that were only partially covered by previous smaller surveys. In particular, the EU survey covers the full length of the Sunshine Fault and greatly extends coverage of outcrops of the Morobe Granodiorite and Langimar Beds. The EU survey contains isolated anomalies south‐west of Wau that may correspond to intrusions of Edie Porphyry, Morobe Granodiorite.
Convergence of first‐order finite volume method based on exact Riemann solver for the complete compressible Euler equations
Authors: Lukáčová‐Medvid'ová Mária , Yuan Yuhuan
Published: April 2023

Recently developed concept of dissipative measure‐valued solution for compressible flows is a suitable tool to describe oscillations and singularities possibly developed in solutions of multidimensional Euler equations. In this paper we study the convergence of the first‐order finite volume method based on the exact Riemann solver for the complete compressible Euler equations. Specifically, we derive entropy inequality and prove the consistency of numerical method. Passing to the limit, we show the weak and strong convergence of numerical solutions and identify their limit. The numerical results presented for the spiral and the Richtmyer‐Meshkov problem are consistent with our theoretical analysis.
Shape memory behavior of novel Ethylene Propylene Diene Monomer (EPDM)/paraffin foams
Authors: Bianchi M. , Fredi G. , Valentini F. , Dorigato A. , Pegoretti A.
Published: April 2023

Ethylene Propylene Diene Monomer (EPDM) rubber foams are widely employed for thermal and acoustic insulation in building construction. However, their installation in confined spaces is often complicated, and the capability of EPDM foams to exhibit shape memory behavior could be a desirable property. In the literature, several works have demonstrated that blending elastomeric matrices with paraffin, a well‐known Phase Change Material (PCM), could be an interesting method to obtain shape memory polymers with a tunable switching temperature. In this work, EPDM foams filled with paraffin wax, having a melting temperature of 70°C, were produced and characterized from a microstructural and thermo‐mechanical point of view. By melt compounding and hot pressing, samples were produced, and the PCM content in the foams was varied between 0 and 60 wt% (with respect to the EPDM matrix). The results of the shape memory tests evidenced the crucial role played by the PCM in providing excellent shape fixability for the expanded rubber. Even a limited amount of paraffin (i.e., 20 wt%) was able to raise the strain fixity parameter to a value higher than 80%, and it reached 100% when the paraffin content was increased to 60 wt%. On the other hand, an increased PCM fraction caused a slower recovery process. Consequently, a compromise between a fast recovery and optimum shape fixability should be accepted. These results are promising for the development of novel thermal and acoustic EPDM insulating foams easier to be installed.
Electrophilic substitution reactivity prediction of crown ether derivatives
Authors: Tian Yongpan , Zhang Fan , Xie Juan , Xu Liang , Zhao Zhuo
Published: April 2023

Lithium is important for the world's economic development because it is the primary component of batteries. Crown ether derivatives are widely used for the separation and enrichment of lithium. The conformations of the designed crown ether were studied using molecular dynamics simulation. The electrophilic substitution reactivities of different conformations were analyzed by the conceptual density functional theory (CDFT) and the frontier molecular orbital theory (FMO). The analysis results show that the reactivity of the phenyl group can be increased by the π–π conjugation effect and bonded oxygen atoms. According to the reduced density gradient (RDG), the van der Waals interactions between the phenyl functional groups and methyl groups also benefit the reactivity. According to the global softness and nucleophilicity index, the reactivity of
is the highest. The condensed Fukui function, condensed local nucleophilicity index, and condensed local softness show that the electrophilic substitution reactivity of
is the highest.
also has the largest HOMO orbital composition. The analysis results of CDFT and FMO are consistent with each other, which suggests that the Koopmans approximation is suitable for the reactivity analysis of crown ether derivatives.
Structural study of some unsaturated malononitriles using mass spectrometry and theoretical models
Authors: Garófalo Federico M. , Gastaca Belén , Albesa Alberto , Furlong Jorge J. P. , Allegretti Patricia E. , Giussi Juan M.
Published: April 2023

The study of tautomerism has gained relevance in the scientific community because several cellular processes occur through different tautomeric forms of certain compounds. The percentage of each tautomer in compounds with tautomerism capability depends on numerous factors, such as temperature and solvent polarity, among others; and, by changing the external conditions, equilibrium displacement can be established very quickly. This manuscript deals with nitrile–ketenimine tautomerism in some unsaturated malononitriles. This kind of compounds with two nitrile groups conjugated to a double bound is able to rearrange accessible hydrogens and provide new and complex structures of different functionalities. The authors' motivation for investigating these compounds lies in understanding their tautomeric behavior in solution and gas phases and to predict reaction deportment to then account for the final products obtained. Four unsaturated malononitriles were synthesized to study the substituent effect on equilibrium displacement. Characterization was performed using nuclear magnetic resonance (NMR) and tautomeric equilibrium in gas phase was evaluated by mass spectrometry. Correlation with theoretical calculations was carried out in order to comprehend the system behavior.
Primordial Black Holes from Volkov–Akulov–Starobinsky Supergravity
Authors: Aldabergenov Yermek , Ketov Sergei V.
Published: April 2023

We study the formation of primordial black holes (PBH) in the Starobinsky supergravity coupled to the nilpotent superfield describing Volkov–Akulov goldstino. By using the no‐scale Kähler potential and a polynomial superpotential, we find that under certain conditions our model can describe effectively single‐field inflation with the ultra‐slow‐roll phase that appears near a critical (near‐inflection) point of the scalar potential. This can lead to the formation of PBH as part of (or whole) dark matter, while keeping the inflationary spectral tilt and the tensor‐to‐scalar ratio in good agreement with the current cosmic microwave background (CMB) bounds. After inflation, supersymmetry is spontaneously broken at the inflationary scale with the vanishing cosmological constant.
The N‐Acetylgalactosamine‐conjugated small interfering RNA inclisiran can be coadministered safely with atorvastatin in cynomolgus monkeys resulting in additive low‐density lipoprotein cholesterol reductions
Authors: Lehoux Dario , Kallend David , Wijngaard Peter L. J. , Brown Alan P. , Zerler Brad
Published: April 2023

Inclisiran, a small interfering RNA, selectively inhibits proprotein convertase subtilisin/kexin type 9 (PCSK9) synthesis in the liver and has been shown to reduce low‐density lipoprotein cholesterol (LDL‐C) by ≥50% in patients with hypercholesterolemia receiving maximally tolerated statins. The toxicokinetic, pharmacodynamic, and safety profiles of inclisiran when coadministered with a statin were characterized in cynomolgus monkeys. Six cohorts of monkeys were administered either atorvastatin (40 mg/kg, reduced to 25 mg/kg during the study, daily, oral gavage), inclisiran (300 mg/kg every 28 days, subcutaneous administration), atorvastatin (40/25 mg/kg) and inclisiran combinations (30, 100, or 300 mg/kg), or control vehicles over 85 days followed by 90 days' recovery. Inclisiran and atorvastatin toxicokinetic parameters were similar in cohorts administered either agent alone or in combination. Inclisiran exposure increased in a dose‐proportional manner. At Day 86, atorvastatin increased plasma PCSK9 levels four‐fold from pretreatment levels but did not significantly lower serum LDL‐C levels. Inclisiran (alone or in combination) reduced PCSK9 (mean decrease 66–85%) and LDL‐C (mean decrease 65–92%) from pretreatment levels at Day 86; levels were significantly lower than the control group (p ≤ .05) and remained decreased during the 90‐day recovery. Coadministration of inclisiran with atorvastatin resulted in greater reductions in LDL‐C and total cholesterol compared with either drug alone. No toxicities or adverse effects were observed in any cohort receiving inclisiran, either alone or in combination. In summary, inclisiran significantly inhibited PCSK9 synthesis and decreased LDL‐C in cynomolgus monkeys without increasing the risk of adverse effects when coadministered with atorvastatin.
Biobased Agents for Single‐Particle Detection with Optoacoustics
Authors: Chen Yunbo , Nozdriukhin Daniil , Michel‐Souzy Sandra , Padberg Clemens , Wurm Frederik R. , Razansky Daniel , Deán‐Ben Xosé Luís , Koshkina Olga
Published: April 2023

Optoacoustic (OA, photoacoustic) imaging synergistically combines rich optical contrast with the resolution of ultrasound within light‐scattering biological tissues. Contrast agents have become essential to boost deep‐tissue OA sensitivity and fully exploit the capabilities of state‐of‐the‐art OA imaging systems, thus facilitating the clinical translation of this modality. Inorganic particles with sizes of several microns can also be individually localized and tracked, thus enabling new applications in drug delivery, microrobotics, or super‐resolution imaging. However, significant concerns have been raised regarding the low bio‐degradability and potential toxic effects of inorganic particles. Bio‐based, biodegradable nano‐ and microcapsules consisting of an aqueous core with clinically‐approved indocyanine green (ICG) and a cross‐linked casein shell obtained in an inverse emulsion approach are introduced. The feasibility to provide contrast‐enhanced in vivo OA imaging with nanocapsules as well as localizing and tracking individual larger microcapsules of 4–5 µm is demonstrated. All components of the developed capsules are safe for human use and the inverse emulsion approach is known to be compatible with a variety of shell materials and payloads. Hence, the enhanced OA imaging performance can be exploited in multiple biomedical studies and can open a route to clinical approval of agents detectable at a single‐particle level.
Brandversuche an mechanisch belasteten Carbonzuggliedern
Authors: Kremberg Jan , Häßler Dustin , Stelzner Ludwig , Hothan Sascha
Published: April 2023

Die Anwendung von Zuggliedern aus Carbon ist durch die außergewöhnlich gute Ermüdungs‐ sowie hohe Zugfestigkeit des Werkstoffs motiviert. Ferner ergibt sich gegenüber Stahl eine deutliche Reduzierung des Querschnitts. Perspektivisch sollen damit u. a. Stahlzugglieder im Netzwerkbogenbrückenbau ersetzt werden. Das Tragverhalten von Carbonzuggliedern im Brandfall ist jedoch bislang unbekannt. Daher wurden mittels Bauteilbrandversuchen die Versagensmechanismen untersucht sowie anhand gewonnener Versuchsdaten eine exemplarische Einschätzung zur Gleichwertigkeit gegenüber konventionellen Stahlzuggliedern vorgenommen. Der Beitrag beschreibt realmaßstäbliche Brandversuche an mechanisch belasteten Carbonzuggliedern, die im Rahmen des Verbundforschungsvorhabens NeZuCa durchgeführt wurden. Das Versuchsprogramm umfasste vier Carbonzugglieder mit kreisrunden Querschnitten in zwei verschiedenen Durchmessern, 36 mm und 51 mm. In Ermangelung eines präskriptiven Brandszenarios für den im Projekt vorgesehenen Anwendungsfall und aus Gründen der Vergleichbarkeit erfolgte die Brandbeanspruchung nach Einheitstemperaturzeitkurve (ETK). Neben den Längsverformungen der Zugglieder wurden auch die Bauteil‐ und Brandraumtemperaturen aufgezeichnet.
Polystyrene exacerbates cadmium‐induced mitochondrial damage to lung by blocking autophagy in mice
Authors: Tong Xishuai , Fu Xiaohui , Yu Gengsheng , Qu Huayi , Zou Hui , Song Ruilong , Ma Yonggang , Yuan Yan , Bian Jianchun , Gu Jianhong , Liu Zongping
Published: April 2023

Cadmium (Cd) is an environmental heavy metal, and its accumulation is harmful to animal and human health. The cytotoxicity of Cd includes oxidative stress, apoptosis, and mitochondrial histopathological changes. Furthermore, polystyrene (PS) is a kind of microplastic piece derived from biotic and abiotic weathering courses, and has toxicity in various aspects. However, the potential mechanism of action of Cd co‐treated with PS is still poorly unclear. The objective of this study was to investigate the effects of PS on Cd‐induced histopathological injury of mitochondria in the lung of mice. In this study, the results have showed that Cd could induce the activity of oxidative enzymes of the lung cells in mice, increasing the content of partial microelement and the phosphorylation of inflammatory factor NF‐κB p65. Cd further destroys the integrity of mitochondria by increasing the expression of apoptotic protein and blocking the autophagy. In addition, PS solely group aggravated the lung damage in mice, especially mitochondrial toxicity, and played a synergistic effect with Cd in lung injury. However, how PS can augment mitochondrial damage and synergism with Cd in lung of mice requiring further exploration. Therefore, PS was able to exacerbate Cd‐induced mitochondrial damage to the lung in mice by blocking autophagy, and was associated with the apoptosis.
Radioactive Waste Management in Sweden: Decision-Making in a Context of Scientific Controversy
Authors: Swahn Johan
Published: April 2023

In early 2022 the Swedish government took a decision to allow the construction of a repository for spent nuclear fuel at the Forsmark nuclear power plant. This chapter describes the long process that preceded the decision and started in the 1970s. Both the siting of the repository and the case made for its long-term safety has seen controversies. In particular, there has been a science-based debate on the long-term safety of using copper as a material for encapsulation of the spent nuclear fuel. The government’s decision relied on claims from the industry and the nuclear regulator that the Swedish KBS multi-barrier concept could still be safe enough. Whether this view will survive the coming decade until the repository will be ready for operation remains to be seen.
The Governance Ecosystem of Radioactive Waste Management in France: Governing of and with Mistrust
Authors: Lehtonen Markku
Published: April 2023

France is one of the forerunners in advancing towards implementation of a high-level radioactive waste (HLW) repository. The state agency responsible for radioactive management, Andra, plans to start the construction of the “Cigéo” deep geological disposal facility in 2022, a pilot testing phase in 2025, and operation in 2040–2050. Although supported by most parliamentarians and key stakeholders in the region, the project continues to generate controversy and recurrent clashes between opponents and the police. The French nuclear sector has been among the pioneers in developing and institutionalising “counter-expertise”, the relations between civil society and project promoters have been tense, and the media have played a vigilant watchdog role, especially since the Chernobyl accident in 1986. In consequence, the authorities and industry have designed a range of response mechanisms, including the requirement for the project to remain reversible, the establishment of permanent and ad hoc multi-stakeholder bodies, and experiments at “co-creation of knowledge” by experts and citizens holding distinct types of expertise. The long and conflict-ridden history of the project provides numerous useful lessons on the multiple functions of mistrust as both a driver and a mechanism of articulation across domains of governance, the role of reversibility as a key notion helping to manage mistrust and cross-domain interaction, and the impact of the nuclear-sector legacies and path dependencies in shaping high-level radioactive waste governance.
Merantau: The Worldview and Praxis of Javanese Migrants in Brunei Darussalam
Authors: Wei Westly Lo Siong , Fee Lian Kwen
Published: April 2023

The phenomenon and experiences of Indonesians who leave their villages of origin to seek a life of improvement have been examined by local scholars in the past using the concept of merantau. In this chapter, we document the extended narratives of nine Javanese migrant workers in Brunei Darussalam from the conversations we had about their lives in Java, Indonesia and Brunei connected through the social process of migration. Every individual had a unique account of the migration story and how it relates to their experiences. However, we suggest that they share something in common. We argue that merantau is a worldview with which these young Javanese make sense of their lives and future, empower them, and help them overcome the existential condition of uncertainty and insecurity of life in densely populated Java. For them merantau is a way of life that sustains their adulthood.
Changes in anxiety and depression symptoms during the Covid-19 lockdown in the Netherlands. The moderating role of pre-existing mental health, employment situation and alcohol consumption
Authors: Mangot-Sala Lluís , Smidt Nynke , Liefbroer Aart C.
Published: April 2023

Purpose

Evidence suggests an increase of depression and anxiety symptoms during the Covid-19 pandemic but most studies relied on cross-sectional designs and/or small samples, and they often overlooked subgroup effects in the impact of the lockdown. We investigated the effect of the pandemic on depression and anxiety symptoms, and whether it differed by employment situation and alcohol consumption.

Methods

This longitudinal study used 23 waves of the Covid-Questionnaire (April 2020—July 2021), within the Lifelines cohort from the Netherlands (n = 76,254). Depression and anxiety symptoms were combined in a “mental health score”. Linear fixed-effects models were fitted to analyse trends in mental health throughout the observation period. The moderating role of pre-existing mental health, employment situation, and alcohol consumption was tested.

Results

Depression and anxiety symptoms fluctuated considerably during the observation period, with clear peaks in winter 2021, during the strictest lockdown period. Moreover, temporal patterns differed by employment situation and alcohol consumption patterns, suggesting that various subgroups reacted to the pandemic and the lockdown in different ways.

Conclusion

Lockdowns increased depression and anxiety symptoms in the Netherlands. The effect was particularly strong for unemployed individuals, those with risky alcohol consumption patterns and those with pre-existing mental health disorders.
Stability and asymptotic analysis for instationary gas transport via relative energy estimates
Authors: Egger H. , Giesselmann J.
Published: April 2023

We consider the transport of gas in long pipes and pipeline networks for which the dynamics are dominated by friction at the pipe walls. The governing equations can be formulated as an abstract dissipative Hamiltonian system which allows us to derive perturbation bounds via relative energy estimates using a problem adapted nonlinear analysis. As particular consequences of these results, we are able to prove stability estimates with respect to initial conditions and model parameters and we conduct a quantitative asymptotic analysis in the high friction limit. Our results are established first for the flow in a single pipe and we then extend our analysis to pipe networks in the spirit of energy-based port-Hamiltonian modelling.
A retrospective review of single-position prone lateral lumbar interbody fusion cases: early learning curve and perioperative outcomes
Authors: Patel Ashish , Rogers Michael , Michna Rebecca
Published: April 2023

Purpose

The objective of this study was to discuss our experience performing LLIF in the prone position and report our complications.

Methods

A retrospective chart review was conducted that included all patients who underwent single- or multi-level single-position pLLIF alone or as part of a concomitant procedure by the same surgeon from May 2019 to November 2022.

Results

A total of 155 patients and 250 levels were included in this study. Surgery was most commonly performed at the L4–L5 level (n = 100, 40%). The most common preoperative diagnosis was spondylolisthesis (n = 74, 47.7%). In the first 30 cases, 3 surgeries were aborted to an MIS TLIF. Complications included 3 unintentional ALL ruptures (n = 3/250, 1.2%), and 1 malpositioned implant impinging on the contralateral foramen requiring revision (n = 1/250, 0.4%), which all occurred within the first 30 cases. Out of 147 patients with more than 6-week follow-ups, there were 3 cases of femoral nerve palsy (n = 3/147, 2.0%). Two cases of femoral nerve palsy improved to preoperative strength by the 6th week postoperatively, while one improved to 4/5 preoperative strength by 1 year. There were no cases of bowel perforation or vascular injury.

Conclusion

Our single-surgeon experience demonstrates the initial learning curve when adopting pLLIF. Thereafter, we experienced reproducibility in our technique and large improvements in our operative times, and complication profile. We experienced no technical complications after the 30th case. Further studies will include long-term clinical and radiographic outcomes to understand the complete utility of this approach.
Barriers and facilitators to physical activity promotion in eyecare: a qualitative study of eyecare professionals’ perceptions
Authors: Lindsay Rosie K. , Smith Lee , Allen Peter M.
Published: April 2023

Aim

The aim of this study is to explore the barriers and facilitators to implementing physical activity promotion into eyecare services, from the perspective of eyecare professionals.

Subject and methods

Eleven eyecare professionals were recruited for qualitative interviews. Thematic analysis was used to identify key themes within the interview data.

Results

Five themes which represented barriers to physical activity promotion were identified in the interviews: lack of time available to discuss physical activity, health and safety concerns, fear of creating a negative experience for the patient, lack of knowledge, and resistance from patients. Facilitators to physical activity promotion identified in the interviews were categorised into two themes: easy access to information about physical activity, and organisational change.

Conclusion

To enable physical activity promotion in eyecare, individual and organisational change is required. Organisational change includes providing time and resources to enable physical activity promotion in eyecare. Individual change can be facilitated by providing training, which enables eyecare professionals to be confident providing physical activity advice.