bluuebunny/crossref_metadata_2025 huggingface dataset:
Preparation of Potassium Acyltrifluoroborates (KATs) from Carboxylic Acids by Copper‐Catalyzed Borylation of Mixed Anhydrides**
Authors: Tung Pinku , Schuhmacher Anne , Schilling Philipp E. , Bode Jeffrey W. , Mankad Neal P.
Published: December 2021

We report the preparation of potassium acyltrifluoroborates (KATs) from widely available carboxylic acids. Mixed anhydrides of carboxylic acids were prepared using isobutyl chloroformate and transformed to the corresponding KATs using a commercial copper catalyst, B2(pin)2, and aqueous KHF2. This method allows for the facile preparation of aliphatic, aromatic, and amino acid‐derived KATs and is compatible with a variety of functional groups including alkenes, esters, halides, nitriles, and protected amines.
Relating Conformational Equilibria to Conformer‐Specific Lipophilicities: New Opportunities in Drug Discovery
Authors: Linclau Bruno , Wang Zhong , Jeffries Benjamin , Graton Jérôme , Carbajo Rodrigo J. , Sinnaeve Davy , Le Questel Jean‐Yves , Scott James S. , Chiarparin Elisabetta
Published: December 2021

Efficient drug discovery is based on a concerted effort in optimizing bioactivity and compound properties such as lipophilicity, and is guided by efficiency metrics that reflect both aspects. While conformation–activity relationships and ligand conformational control are known strategies to improve bioactivity, the use of conformer‐specific lipophilicities (logp) is much less explored. Here we show how conformer‐specific logp values can be obtained from knowledge of the macroscopic logP value, and of the equilibrium constants between the individual species in water and in octanol. This is illustrated with fluorinated amide rotamers, with integration of rotamer 19F NMR signals as a facile, direct method to obtain logp values. The difference between logp and logP optimization is highlighted, giving rise to a novel avenue for lipophilicity control in drug discovery.
A strategy of designed anionic metal–organic framework adsorbent based on reticular chemistry for rapid selective capture of carcinogenic dyes
Authors: Feng Meng , Wu Liang , Wang Xirong , Wang Jingyu , Wang Dongmei , Li Chunxia
Published: December 2021

In this work, highly effective and rapid removal of cationic carcinogenic organic dye molecules is achieved through the implementation of a novel anionic metal–organic framework (MOF). Benefit from reticular chemistry, an anionic pts topology‐directed MOF [CH3NH3][In (TPTAB)4]·solvents (In‐TPTAB, H4TPTAB = [1,1′:3′,1″‐terphenyl]‐4,4′,4″,6′‐tetracarboxylic acid) has been solvothermally synthesized. The structural characteristics of high porosity and the large size 1D channel modified by uncoordinated O sites promote In‐TPTAB to be a promising adsorbent material. By ion exchange, In/Cu‐TPTAB exhibits obviously increased BET surface area (248 m2 g−1) compared with In‐TPTAB (55 m2 g−1). More importantly, In‐TPTAB presents commendable performances with the maximum adsorption capacities for toxic dye BR9 and MLB are up to 368 and 304 mg g−1, and the adsorption rates are 10.9 and 6.7 mg g−1 min−1, respectively. It is noteworthy that the high‐efficiency capacity of In‐TPTAB in capturing dyes surpasses many reported adsorbent materials. The mechanism of physical adsorption can be ascribed to the synergistic effect of multiple host‐guest interactions. Coupled with the good recyclable, push In‐TPTAB to be potential used for the removal of cationic organic pollutants
Hantzsch condensation reaction as a spectrofluorometric method for determination of alogliptin, an antidiabetic drug, in pure form, tablet form, and human and rat plasma
Authors: Tammam Azza S. , Gahlan Ahmed A. , Taher Mahmoud A. , Haredy Ahmed M.
Published: December 2021

To analyze alogliptin in its pharmaceutical dosage forms and human plasma, a sensitive, inexpensive, simple, and precise spectrofluorimetric method was developed and tested. This method was also used to investigate the drug’s pharmacokinetic behaviour in the blood of rats. This was based on the Hantzsch reaction, which produces yellowish luminous products that can be detected spectrofluorometrically at 480 and 415 nm for emission and excitation, respectively, when the primary amine group in the examined drug reacts with acetylacetone and formaldehyde. Several experimental parameters that affect the reaction product's development and stability were explored and improved. The curve of fluorescence and concentration for alogliptin was linear in the concentration range 0.05–3.60 μg ml−1. The proposed approach was validated according to International Council for Harmonization criteria. The method was successfully utilized to evaluate the examined drug in dose formulations and spiked human plasma with high accuracy.
Assessment of brain age in posttraumatic stress disorder: Findings from the ENIGMA PTSD and brain age working groups
Authors: Clausen Ashley N. , Fercho Kelene A. , Monsour Molly , Disner Seth , Salminen Lauren , Haswell Courtney C. , Rubright Emily Clarke , Watts Amanda A. , Buckley M. Nicole , Maron‐Katz Adi , Sierk Anika , Manthey Antje , Suarez‐Jimenez Benjamin , Olatunji Bunmi O. , Averill Christopher L. , Hofmann David , Veltman Dick J. , Olson Elizabeth A. , Li Gen , Forster Gina L. , Walter Henrik , Fitzgerald Jacklynn , Théberge Jean , Simons Jeffrey S. , Bomyea Jessica A. , Frijling Jessie L. , Krystal John H. , Baker Justin T. , Phan K. Luan , Ressler Kerry , Han Laura K. M. , Nawijn Laura , Lebois Lauren A. M. , Schmaal Lianne , Densmore Maria , Shenton Martha E. , van Zuiden Mirjam , Stein Murray , Fani Negar , Simons Raluca M. , Neufeld Richard W. J. , Lanius Ruth , van Rooij Sanne , Koch Saskia B.J. , Bonomo Serena , Jovanovic Tanja , deRoon‐Cassini Terri , Ely Timothy D. , Magnotta Vincent A. , He Xiaofu , Abdallah Chadi G. , Etkin Amit , Schmahl Christian , Larson Christine , Rosso Isabelle M. , Blackford Jennifer Urbano , Stevens Jennifer S. , Daniels Judith K. , Herzog Julia , Kaufman Milissa L. , Olff Miranda , Davidson Richard J. , Sponheim Scott R. , Mueller Sven C. , Straube Thomas , Zhu Xi , Neria Yuval , Baugh Lee A. , Cole James H. , Thompson Paul M. , Morey Rajendra A.
Published: December 2021

Background

Posttraumatic stress disorder (PTSD) is associated with markers of accelerated aging. Estimates of brain age, compared to chronological age, may clarify the effects of PTSD on the brain and may inform treatment approaches targeting the neurobiology of aging in the context of PTSD.

Method

Adult subjects (N = 2229; 56.2% male) aged 18–69 years (mean = 35.6, SD = 11.0) from 21 ENIGMA‐PGC PTSD sites underwent T1‐weighted brain structural magnetic resonance imaging, and PTSD assessment (PTSD+, n = 884). Previously trained voxel‐wise (brainageR) and region‐of‐interest (BARACUS and PHOTON) machine learning pipelines were compared in a subset of control subjects (n = 386). Linear mixed effects models were conducted in the full sample (those with and without PTSD) to examine the effect of PTSD on brain predicted age difference (brain PAD; brain age − chronological age) controlling for chronological age, sex, and scan site.

Results

BrainageR most accurately predicted brain age in a subset (n = 386) of controls (brainageR: ICC = 0.71, R = 0.72, MAE = 5.68; PHOTON: ICC = 0.61, R = 0.62, MAE = 6.37; BARACUS: ICC = 0.47, R = 0.64, MAE = 8.80). Using brainageR, a three‐way interaction revealed that young males with PTSD exhibited higher brain PAD relative to male controls in young and old age groups; old males with PTSD exhibited lower brain PAD compared to male controls of all ages.

Discussion

Differential impact of PTSD on brain PAD in younger versus older males may indicate a critical window when PTSD impacts brain aging, followed by age‐related brain changes that are consonant with individuals without PTSD. Future longitudinal research is warranted to understand how PTSD impacts brain aging across the lifespan.
Development of first‐time mothers' sense of shared identity and integration with other mothers in their neighbourhood
Authors: Seppälä Tuija , Riikonen Reetta , Paajanen Paula , Stevenson Clifford , Finell Eerika
Published: December 2021

Mothers' social integration with other mothers in the same residential area has been shown to be beneficial for their health and well‐being. The socio‐psychological resources afforded by other mothers aid the transition to motherhood. However, much less is known about the processes whereby mothers integrate with other local mothers. Therefore, we analysed first‐time mothers' experiences of social integration with other mothers in the same neighbourhood. Through three waves of semi‐structured interviews, we followed eight Finnish first‐time mothers' everyday lives for a year. The narrative analysis of these longitudinal interviews revealed three story types – social integration, social exclusion and social disconnection – that depicted mothers' different experiences of integration with other local mothers. The perceived similarity of experiences, goals and interests related to motherhood enhanced the development of a shared sense of identity and supported integration with other local mothers. We discuss our findings in relation to the social identity model of identity change (SIMIC).
Multicultural supervision in counseling: A content analysis of peer‐reviewed literature
Authors: Kemer Gülşah , Li Chi , Attia Mina , Chan Christian D. , Chung Mijin , Li Dan , Neuer Colburn Anita , Peters Harvey Charles , Ramaswamy Aparna , Sunal Zahide
Published: December 2021

Utilizing a mixed‐methods approach, we examined 14 years of peer‐reviewed multicultural counseling supervision literature. Qualitative content analysis revealed six themes (e.g., interventions, supervisor/supervisee competencies) represented among four categories of methodology (e.g., quantitative, conceptual). We discuss the findings with limitations and offer further areas of multicultural supervision research and practice.
Onset of Flow Reversal in a Vertical T‐channel: Bingham Fluids
Authors: Maurya Anamika , Tiwari Naveen , Chhabra R. P.
Published: December 2021

The commencement of the flow reversal phenomenon is investigated which occurs in the daughter branch of a vertical T‐channel for the flow of Bingham plastic fluids. The combined influences of the imposed forced flow and buoyancy‐driven flow are analyzed at low Reynolds numbers. The mixed convection flow of a Bingham model fluid is explored for a wide range of conditions in terms of Prandtl number, Richardson number, and Bingham number. The critical Richardson number is strongly influenced by the Prandtl number and the yield stress of the Bingham fluids. The dimensionless pressure is seen to decrease with the critical Richardson number. Also, the fractional flow passing through the main branch exhibits a strong direct dependence on the Richardson number while an opposite relationship with Bingham and Prandtl number is observed.
Chiral Dinuclear EuIII, TbIII, and YIII Complexes Supported by P‐Stereogenic Linear Tetraphosphine Tetraoxide
Authors: Tanase Tomoaki , Nakamae Kanako , Okawa Yume , Hamada Mami , Matsumoto Arimasa , Nakajima Takayuki , Nakashima Takuya , Kawai Tsuyoshi
Published: December 2021

A P‐stereogenic linear tetraphosphine tetraoxide, (R,R)‐ or (S,S)‐dpmppm(=O)4, was synthesized to prepare C2 dinuclear M(hfa)3 complexes (M=Eu, Tb, Y) as the first example of lanthanide(III) complexes with P‐chiral multidentate phosphine oxides. The mononuclear M(hfa)3 complexes (M=Eu, Y) with a P‐chiral diphosphine dioxide, tpdpb(=O)2, were also prepared, and comparison of their photophysical properties for the EuIII complexes revealed that significant chiral induction from the P‐chiral centers arises on the achiral M(hfa)3 units through intramolecular π‐π stacking constraint in the dinuclear system.
Total Synthesis of Mycinamicin IV as Integral Part of a Collective Approach to Macrolide Antibiotics
Authors: Späth Georg , Fürstner Alois
Published: December 2021

The total synthesis of the 16‐membered macrolide mycinamicin IV is outlined, which complements our previously disclosed, largely catalysis‐based route to the aglycone. This work must also be seen in the context of our recent conquest of aldgamycin N, a related antibiotic featuring a similar core but a distinctly different functionalization pattern. Taken together, these projects prove that the underlying blueprint is integrative and hence qualifies for a collective approach to this prominent class of natural products. In both cases, the final glycosylation phase mandated close attention and was accomplished only after robust de novo syntheses of the (di)deoxy sugars of the desosamine, chalcose, mycinose and aldgarose types had been established. Systematic screening of the glycosidation promoter was also critically important for success.
Rigid Dysprosium(III) Single‐Molecule Magnets Exhibit Preserved Superparamagnetism in Solution
Authors: Ding Xiali , Luo Qiancheng , Zhai Yuanqi , Zhang Xufeng , Lv Yi , Zhang Xinliang , Ke Chao , Wu Chao , Zheng Yanzhen
Published: December 2021

Comprehensive Summary

Molecules with long preserved magnetic moments are perceived as the smallest units for storing bytes, which could bring a new revolution for information technology. However, the rational design of such molecules remains challenging. Here two rigid adamantanol ligand based dysprosium(III) complexes ([Dy(1‐AdO)2(py)5]BPh4 ‐ 1 and [Dy(2‐AdO)2(py)5]BPh4 ‐ 2) with pentagonal‐bipyramidal coordination geometry and local D5h symmetry were successfully prepared, which display excellent single‐molecule magnet (SMM) behavior (Ueff ≈ 1835 K, TBZFC ≈ 24 K, TB100s ≈ 17 K and TBH = 23 K for 1; Ueff ≈ 1756 K, TBZFC ≈ 20 K, TB100s ≈ 16 K and TBH = 23 K for 2) due to the much weakened vibration in low energy regimes. Remarkably, the large energy barriers and high blocking temperatures for these two complexes in solid states are well preserved in solution. This is never observed in previous studies of SMMs, indicating that the adamantanol is rigid and can be introduced to make the composed molecules stable enough to maintain the solid state magnetic property in solution.
Experimental study on the relationship between the harmony and cognitive load of business intelligence dashboard color combinations
Authors: Wu Qi , Tan Zhanglu , Liu Jie
Published: December 2021

The color combination is an important factor affecting dashboard visual design and is key to triggering the operator's visual harmony and emotion. However, in the actual design process, the relationship among the different color schemes of a dashboard and the operator's harmony, pleasure, and cognitive load has not been effectively analyzed. To solve this problem, two methods, questionnaire measurement and eye movement tracking, were used to evaluate the effects of 24‐color combinations under four‐color schemes of a dashboard by analyzing the changes in color harmony, pleasure, eye movement indicators. The four schemes were red–yellow–blue, green–purple–orange, blue green–blue purple–yellow green, and red orange–yellow orange–red purple. The research results show that the degrees of color harmony and pleasure show a positive correlation. Cognitive load is not affected by color harmony. The larger the amount of information, the higher the cognitive load. This research can be used as a reference when designing and optimizing the color scheme of a business intelligence dashboard.
The omicron variant of SARS‐CoV‐2: Understanding the known and living with unknowns
Authors: Ingraham Nicholas E. , Ingbar David H.
Published: December 2021

The recently discovered Omicron variant of SARS‐CoV‐2 has rapidly burst into the public and scientific eye, being detected in more than 26 countries around the world. Given its more than 50 mutations, there is widespread concern about its public health impact, leading the World Health Organization to designate it a variant of concern. This Commentary provides a summary of current knowledge and unknowns about this viral variant as of December 2, 2021 and summarizes the key questions that need to be rapidly answered.
Reliable controller placement in software‐defined networks using reliability covering graph and irregular cellular learning automata
Authors: Gholamrezaei Reza , Mirjalily Ghasem , Emadi Sima
Published: December 2021

Software‐defined networking is a new paradigm in network management that has received much attention in recent years. One of the important challenges in designing software‐defined networks (SDNs) is the reliable controller placement problem (RCPP) that is the problem of finding the number and locations of controllers to satisfy the reliability requirements. The high complexity of exact reliability measurement led researchers to use estimation techniques that results in overestimating the number of controllers and incorrect placement. In this paper, we introduce a new concept named reliability covering graph (RCG) that enables us to use the exact reliability measurement (ERM) methods in solving the RCPP with desired level of complexity. To construct the RCG, for each candidate node, a subgraph with the adjustable radiusris extracted from the network graph. In the next step, the RCG is developed by calculating the exact reliability between the central node and any other nodes in the resulting subgraphs. In the last step, the RCG is converted to a machine learning tool named irregular cellular learning automata (ICLA) that determines the number and locations of controllers as well as the switches they cover. To study the efficiency of the proposed method, its performance is compared with the optimal results obtained from the ILP solver. The simulation results of 800 case studies on 100 standard topologies show that the average difference in results is 0.00125. Thanks to our innovative structure RCG, the number of controllers required is significantly reduced compared to previous methods.
Dynamics of IL‐15/IL‐15R‐α expression in response to HSV‐1 infection reveal a novel mode of viral immune evasion counteracted by iNKT cells
Authors: Sobkowiak Michał J. , Paquin‐Proulx Dominic , Bosnjak Lidija , Moll Markus , Sällberg Chen Margaret , Sandberg Johan K.
Published: December 2021

Herpes simplex virus type 1 (HSV‐1) infects and persists in most of the human population. Interleukin‐15 (IL‐15) has an important role in the activation of cell‐mediated immune responses and acts in complex with IL‐15 receptor alpha (IL‐15R‐α) through cell surface transpresentation. Here, we have examined the IL‐15/IL‐15R‐α complex response dynamics during HSV‐1 infection in human keratinocytes. Surface expression of the IL‐15/IL‐15R‐α complex rapidly increased in response to HSV‐1, reaching a peak around 12 h after infection. This response was dependent on detection of viral replication by TLR3, and enhancement of IL15 and IL15RA gene expression. Beyond the peak of expression, levels of IL‐15 and IL‐15R‐α gradually declined, reaching a profound loss of surface expression beyond 24 h of infection. This involved the loss of IL15 and IL15RA transcription. Interestingly, invariant natural killer T (iNKT) cells inhibited the viral interference with IL‐15/IL‐15R‐α complex expression in an IFNγ‐dependent manner. These results indicate that rapid upregulation of the IL‐15/IL‐15R‐α complex occurs in HSV‐1 infected keratinocytes, and that this response is targeted by viral interference. Shutdown of the IL‐15 axis represents a novel mode of HSV‐1 immune evasion, which can be inhibited by the host iNKT cell response.
Advancing Reverse Electrowetting‐on‐Dielectric from Planar to Rough Surface Electrodes for High Power Density Energy Harvesting
Authors: Adhikari Pashupati R. , Patwary Adnan B. , Kakaraparty Karthik , Gunti Avinash , Reid Russell C. , Mahbub Ifana
Published: December 2021

Reverse electrowetting‐on‐dielectric (REWOD)‐based energy harvesting has been studied over the last decade as a novel technique of harvesting energy by actuating liquid droplet(s) utilizing applied mechanical modulation. Much prior research in REWOD has relied on planar electrodes, which by its geometry possess a limited surface area. In addition, most of the prior REWOD works have applied a high bias voltage to enhance the output power that compromises the concept of self‐powering wearable motion sensors in human health monitoring applications. In order to enhance the REWOD power density resulting from an increased electrode–electrolyte interfacial area, high surface area electrodes are required. Herein, electrical and multiphysics‐based modeling approaches of REWOD energy harvester using structured rough surface electrodes are presented. By enhancing the overall available surface area, an increase in the overall capacitance is achieved. COMSOL and MATLAB‐based models are also developed, and the empirical results are compared with the models to validate the performance. Root mean square (RMS) power density is calculated using the RMS voltage across an optimal load impedance. For the proposed rough electrode REWOD energy harvester, maximum power density of 3.18 μW cm−2is achieved at 5 Hz frequency, which is ≈4 times higher than that of the planar electrodes.
Perspectives on the Use of Unmanned Aerial Vehicle Systems as Tools for Small-Scale Fisheries Research and Management
Authors: Amorim Reis-Filho José , Giarrizzo Tommaso
Published: December 2021

Unmanned aerial vehicles (UAVs) are increasingly used in marine wildlife research and have rapidly expanded across many scientific disciplines. As recent technological developments have improved the versatility and functionality of UAVs, the potential of these systems for research on small-scale and artisanal fisheries has grown considerably, although this potential is still underexploited. However, there is growing interest in the application of cost-effective UAVs for aerial surveys of fishery activities, but few empirical studies have produced reliable findings to aid the development of effective management actions. Common challenges for effective management include funding limitations and problems related to survey design, coverage, and implementation. In this context, aerial devices have the capacity to fill a niche for intensive fine-scale sampling in which data gathering strategies need to be tailored to specific operational requirements. Detailed documentation and monitoring of harvest processes and fisheries practices by UAVs can provide important insights into fishing gear and techniques (e.g., gillnets and seine nets), the operation of stationary artisanal fishing devices (e.g., traps and tidal fishing weirs), area coverage, fishery territories, and the number of fishers and/or fleet size. Here, we present and discuss the potential use of UAVs for surveying small-scale fishing activities as a complement to traditional research methods (e.g., fishery-dependent approaches, such as landing monitoring, electronic logbooks, dealer reports, dockside intercepts, and fishery cruises). We predict that the use of UAV as a fishery survey tool will become increasingly widespread as the technology and associated methods are refined and become more affordable with potential to generate significant advances in fishery management practices.
SARS‐CoV‐2 vaccine response in CAR T‐cell therapy recipients: A systematic review and preliminary observations
Authors: Abid Muhammad Abbas , Abid Muhammad Bilal
Published: December 2021

Evolving data suggest that SARS‐CoV‐2 vaccine responses are blunted in allogeneic hematopoeitic cell transplant (HCT) recipients. Responses to the vaccine in chimeric antigen receptor T‐cell (CAR‐T) therapy are unknown and are likely to be even more diminished. We manually searched vital databases and identified 5 studies that have so far reported COVID‐19 vaccine response in a total of 70 CAR‐T recipients. The cumulative humoral response rate across all 5 studies was 31%. However, the results are not generalizable due to non‐standardized units of humoral response measurement and a lack of external validation. Heterogeneity existed in studies regarding the timing of vaccination post‐CAR‐T, intervals between the vaccine doses, platforms of response assessment, vaccine platforms, and pre‐vaccine immune status. CAR‐T‐related factors that independently impact vaccine response to prevent COVID‐19 have further been reviewed. We conclude that the results must be interpreted with caution given the limitations of small sample sizes, differences in immunoassays, lack of standard definitions and clinical correlates of SARS‐CoV‐2 immune response, and lack of cellular responses. Until large‐scale, homogenous prospective data become available, these preliminary observations will help transplant and infectious disease clinicians with their decision‐making while providing care to this profoundly immunosuppressed cohort of patients.
Status and perception toward the COVID‐19 vaccine: A cross‐sectional online survey among adult population of Bangladesh
Authors: Rahman Md Mostafizur , Chisty Musabber Ali , Sakib Mohammed Sadman , Quader Masrur Abdul , Shobuj Ifta Alam , Alam Md Ashraful , Halim Md. Abdul , Rahman Farzana
Published: December 2021

Introduction

COVID‐19 has become a global public health concern. Safe and effective vaccines are required to control the pandemic. However, positive perception toward the vaccine is also necessary for a successful vaccination effort.

Objective

A rapid online survey was conducted to evaluate the status and perception toward the newly administered COVID‐19 vaccine among the adult population (18 years and above) of Bangladesh.

Methods

A total of 850 adult people participated. χ2 or Fisher's exact test was performed to determine the association between the first dose of vaccination and sociodemographic information. Logistic regression analyses were carried out to examine the predictors of knowledge, attitude, and hesitation toward the vaccine.

Results

Exactly 24.12% of the study population received their first dose of COVID‐19 vaccine, whereas 30.23% expressed hesitation about pursuing the vaccine. Older age groups (>70%), married people (49.62%), capital Dhaka city outsiders (32.76%), and high‐income groups (>50%) received the vaccine much higher than their counter group. Age, marital status, educational attainment, monthly income, and prior COVID‐19 positive status were all significantly associated with the knowledge regarding the vaccine. Only age (>55 years age group = aOR: 4.10; 95% CI: 1.30, 14.31) and level of knowledge (poor knowledge = aOR: 0.17; 95% CI: 0.12, 0.23) were significant determinants of attitudes. In case of hesitation, age group and monthly income were found as significant determinants. Fear of adverse consequences (86.67%) was the most common reason for hesitation, followed by insufficient information (73.85%).

Conclusion

This study sought to determine the status and perception of the newly administered COVID‐19 vaccine to aid in the current inoculation campaign's effectiveness. Collaboration between academics, government officials, and communities is essential in developing a successful COVID‐19 vaccination program for the entire population. The authority should develop effective strategies to ensure the implementation of its policy of widespread COVID‐19 vaccination coverage.
Using mixed methods to explore diabetes care in a medium‐secure setting in England: A case study
Authors: Walker Tammi , Edmondson Amanda , Riley Fleur , Harper Mark , Lucock Mike , Wright Nat
Published: December 2021

Background and aims

Diabetes is highly prevalent among individuals with serious mental illness. Managing diabetes in forensic mental health settings presents unique challenges which are under‐reported and poorly understood. This study aimed to explore diabetes care in a medium‐secure setting and identify key areas for improvement.

Methods

A single case study design used a retrospective chart review. Qualitative interviews and a focus group were analyzed using thematic analysis.

Results

Prevalence of diabetes was over twice that of the general population and highest in female service users. Evidence suggests limited understanding and lack of diabetes education for staff and service users, and difficulties in accessing external diabetes recourses.

Conclusion

Constraints inherent to forensic mental health settings contribute to difficulties in accessing external resources and adequate diabetes education. Secure mental health services should adopt a collaborative approach to diabetes care and provide appropriate specialist training to both staff and service users.
Selenium and cancer risk: Wide‐angled Mendelian randomization analysis
Authors: Yuan Shuai , Mason Amy M. , Carter Paul , Vithayathil Mathew , Kar Siddhartha , Burgess Stephen , Larsson Susanna C.
Published: December 2021

Evidence on the association between selenium and cancer risk is inconclusive. We conducted a Mendelian randomization study to examine the associations of selenium levels with 22 site‐specific cancers and any cancer. Single nucleotide polymorphisms (SNPs) strongly associated with toenail and blood (TAB) and blood selenium levels in mild linkage disequilibrium (r2 < .3) were used as instrumental variables. Genetic associations of selenium‐associated SNPs with cancer were obtained from the UK Biobank including a total of 59 647 cancer cases and 307 914 controls. Associations with P < .1 in UK Biobank were tested for replication in the FinnGen consortium comprising more than 180 000 individuals. The inverse‐variance weighted method accounting for linkage disequilibrium was used to estimate the associations. Genetically predicted TAB selenium levels were not associated with the risk of the 22 site‐specific cancers or any cancer (all 22 site‐specific cancers). Similarly, we observed no strong association for genetically predicted blood selenium levels. However, genetically predicted blood selenium levels showed suggestive associations with risk of kidney cancer (odds ratio [OR] per one‐unit increase in log‐transformed levels: 0.83; 95% confidence interval [CI]: 0.67‐1.03) and multiple myeloma (OR: 1.40; 95% CI: 1.02‐1.93). The same direction of association for kidney cancer but not for multiple myeloma was observed in FinnGen. In the metaanalysis of UK Biobank and FinnGen, the OR of kidney cancer was 0.83 (95% CI: 0.69‐1.00). Our study suggests that high selenium status may not prevent cancer development. The associations for kidney cancer and multiple myeloma need to be verified in well‐powered studies.
Wake flow patterns and turbulence around naturally deposited and installed trees in a gravel bed river
Authors: Schnauder Ingo , Anlanger Christine , Koll Katinka
Published: December 2021

Large wood structures, such as wood fragments, debris jams, or entire trees, create flow and habitat diversity in rivers. A key flow feature associated with such structures is the wake, characterised by a core zone of reduced velocity and shear layers at its margins. Wakes are largely controlled by geometric and structural properties of the wood. In the present study, the flow patterns and turbulence created by different wood structures were compared at two study sites: naturally eroded and fragmented oaks (Site A) and artificial poplar installations (Site B). Flow and turbulence were quantified using pointwise velocity measurements with acoustic Doppler velocimeters (ADVs) and surface particle tracking velocimetry (SPTV). The measured flow patterns exhibited similarities with shallow porous wakes that feature fluid advection through the structure into the wake core downstream. Two additional features of wood structures were identified in the present study: (i) the growth of the shear layers was hindered by bed friction like for shallow mixing layers and (ii) the presence of a tree stem and sediment deposit in the wake centre delayed or even suppressed the interaction of the shear layers and vortex street formation similar to a wake‐splitter plate. Methodologically, the combined ADV/SPTV measurement approach and the use of analytical models for shallow mixing layers proved to be highly valuable to decipher the complex flow patterns around wood structures in the field.
Polyethyleneimine‐anchored liposomes as scavengers for improving the efficiency of protein‐bound uremic toxin clearance during dialysis
Authors: Shen Yuqi , Shen Yue , Li Jiaolun , Ding Feng , Wang Yifeng
Published: December 2021

Protein‐bound uremic toxins (PBUTs) are significant toxins that are closely related to the prognosis of chronic kidney disease. They cannot be effectively removed by conventional dialysis therapies due to their high albumin binding affinity. Our previous research revealed that cationic liposomes (i.e., polyethyleneimine [PEI]‐decorated liposomes) could enhance the clearance of PBUTs via electrostatic interactions. However, the poor biocompatibility (hemolysis) restricted their applications in clinical dialysis treatment. Herein, we produced PEI‐anchored, linoleic acid‐decorated liposomes (CP‐LA liposomes) via the conjugation of PEI to cholesterol chloroformate (Chol‐PEI, CP), and linoleic acid (LA) was added to provide liposomal colloidal stability. The CP‐LA liposomes outperformed the plain liposomes, demonstrating significantly higher PBUT binding rates and removal rates. In addition, in vitro dialysis simulation verified that the CP‐LA liposomes had a better capacity for PBUT clearance than the plain liposomes, especially for PBUTs with a strong negative net charge. Hemolysis and cytotoxicity tests revealed that the biocompatibility of the CP‐LA liposomes was better than that of the physically‐decorated PEI‐liposome. CP‐LA liposomes possess great potential for PBUT clearance in clinical dialysis therapy.
Liquid metal polymer composite: Flexible, conductive, biocompatible, and antimicrobial scaffold
Authors: Houshyar Shadi , Rifai Aaqil , Zizhou Rumbidzai , Dekiwadia Chaitali , Booth Marsilea A. , John Sabu , Fox Kate , Truong Vi Khanh
Published: December 2021

Gallium and its alloys, such as eutectic gallium indium alloy (EGaIn), a form of liquid metal, have recently attracted the attention of researchers due to their low toxicity and electrical and thermal conductivity for biomedical application. However, further research is required to harness EGaIn‐composites advantages and address their application as a biomedical scaffold. In this research, EGaIn‐polylactic acid/polycaprolactone composites with and without a second conductive filler, MXene, were prepared and characterized. The addition of MXene, into the EGaIn‐composite, can improve the composite's electrochemical properties by connecting the liquid metal droplets resulting in electrically conductive continuous pathways within the polymeric matrix. The results showed that the composite with 50% EGaIn and 4% MXene, displayed optimal electrochemical properties and enhanced mechanical and radiopacity properties. Furthermore, the composite showed good biocompatibility, examined through interactions with fibroblast cells, and antibacterial properties against methicillin‐resistant Staphylococcus aureus. Therefore, the liquid metal (EGaIn) polymer composite with MXene provides a first proof‐of‐concept engineering scaffold strategy with low toxicity, functional electrochemical properties, and promising antimicrobial properties.
Tenofovir diphosphate levels in dried blood spots are associated with virologic failure and resistance to first‐line therapy in South Africa: a case–control cohort study
Authors: Castillo‐Mancilla Jose R. , Edwards Johnathan A. , Brijkumar Jaysingh , Moosa Mahomed‐Yunus , Zhao Yuan , Ofotokun Igho , Johnson Brent A. , Lee Mitchell H. , Pillay Selvan , Pillay Melendhran , Moodley Pravi , Kuritzkes Daniel R. , Sunpath Henry , Bushman Lane R. , Ellison Lucas , Anderson Peter L. , Marconi Vincent C.
Published: December 2021

Introduction

Tenofovir diphosphate (TFV‐DP) in dried blood spots (DBS), a measure of cumulative antiretroviral therapy (ART) adherence, is associated with viral suppression and predicts future viremia in persons with HIV (PWH). However, its utility to identify those at risk for virologic failure (VF) and drug resistance is unknown. To address this, we aimed to establish the association between this adherence biomarker and VF with drug resistance in a cohort of PWH initiating first‐line ART in KwaZulu‐Natal, South Africa.

Methods

PWH initiating TFV disoproxil fumarate (TDF)‐based ART within a parent prospective cohort were evaluated. Using a nested design, DBS for TFV‐DP were collected from cases who developed VF (HIV‐1 RNA ≥1000 copies/ml) after ≥5 months on ART versus controls, matched 1:2 by site, age, gender, race and ART duration. Cases were categorized as having VF with or without resistance using genotyping. One‐way analysis of variance (ANOVA) was used to compare TFV‐DP for controls, cases with VF and resistance, and cases with VF without resistance. Data are presented as mean (standard deviation, SD) or geometric mean [95% confidence interval, 95% CI].

Results and discussion

One thousand participants were enrolled in the parent study between 2014 and 2016, of which 288 (29%) had DBS available. Of these, 94 (33%) were cases and 194 (67%) were controls; 59% were women. Mean age of our population was 33 (SD 8) years. Genotyping was available in 50 (53%) of the 94 cases. Geometric mean TFV‐DP in DBS from controls was 708 [95% CI; 647–773] fmol/punch, which was higher compared to participants having VF with resistance (n = 36), 386 [95% CI; 241–617] fmol/punch and VF without resistance (n = 14), 61 [95% CI; 22–164] fmol/punch; p<0.001. Genotype could not be obtained in 44 (47%) cases.

Conclusions

TFV‐DP in DBS showed a stepwise association with VF and drug resistance in South African PWH. Participants having VF with resistance had mid‐range concentrations of TFV‐DP, which were higher than those for PWH without resistance. Future research on the clinical utility of TFV‐DP concentrations in DBS to predict and prevent the development of VF and drug resistance is needed.
Reduction and optimization for combustion mechanism of dimethyl ether–air mixtures
Authors: Li Yuxuan , Su Shichuan , Wang Lei , Yin Jie , Idiaba Samuel
Published: December 2021

As an alternative fuel, dimethyl ether (DME) has attracted much attention due to its high efficiency and low emission. In this study, first, a skeletal mechanism of DME is obtained using a directed relation graph with error propagation (DRGEP) and sensitivity analysis (SA). Then the Arrhenius preexponential factors of the selected reactions in the skeletal mechanism are adjusted by the particle swarm optimization (PSO) algorithm to improve the prediction accuracy. Finally, an optimized mechanism with 30 species and 65 elementary reactions is proposed to describe the combustion of DME–air mixtures. This reaction mechanism is validated against the experimental data of ignition delay time, species concentration, and laminar flame speed, covering a wide range of initial temperatures (298–1600 K), pressures (1.0–60 bar), and equivalence ratios (0.5–2.0). Comparing the previous skeletal mechanisms, the optimized mechanism can excellently reproduce the experiment results, especially in the prediction of the ignition delay time of low‐temperature zone and laminar flame speed of high‐pressure conditions. It means that this mechanism corresponds to higher precision and more extensive applicability.
Tributary chloride loading into Lake Michigan
Authors: Dugan Hilary A. , Rock Linnea A. , Kendall Anthony D. , Mooney Robert J.
Published: December 2021

Anthropogenic salt sources have contributed to rising salinities in the Laurentian Great Lakes. In Lake Michigan, chloride concentrations have risen from ~ 1–2 mg L−1 in the 1800s to > 15 mg L−1 in 2020. The watersheds of the approximately 300 tributaries of Lake Michigan vary in size and represent a wide range of land use, from undeveloped forested watersheds to urbanized and agricultural areas. The spatial variability in both size and land cover among Lake Michigan's tributaries contributes to enormous variation in chloride concentrations and loads. We performed a spatial assessment of Lake Michigan tributaries to calculate total annual salt loading, infer future conditions based on current patterns, evaluate the use of synoptic sampling, and identify watershed characteristics that drive high chloride concentrations. We found that the tributary load to Lake Michigan is 1.08 Tg yr−1 of chloride, and that chloride concentrations in Lake Michigan will likely continue to slowly rise in the coming decades.
Cascade Tumor Therapy Platform for Sensitized Chemotherapy and Penetration Enhanced Photothermal Therapy
Authors: Liu Sen , Shen Can , Jiang Dongsheng , Qian Cheng , Yang Zhongmei , Wang Jianquan , Ye Wei
Published: December 2021

As a stand‐alone therapy strategy may not be sufficient for effective cancer treatment and a combination of chemotherapy with other therapies is a main trend in cancer treatment. A combination of chemotherapy and photothermal therapy (PTT) is reported here to achieve the goal of cascade multistage cancer treatment. A thermally responsive amphiphilic copolymer is designed and then a CuS nanoparticles (NPs)‐based carbon monoxide (CO) photoinduced release system and doxorubicin (Dox) are encapsulated to construct the nanomedicine. The large‐sized nanomedicine can accumulate in tumors after long circulation in vivo and will generate heat to act as a photothermal therapeutic agent by near infrared (NIR) light. Moreover, synergically release of CO and Dox is achieved and acted as a sensitized chemotherapeutic agent. The combination of PTT and chemotherapy sensitization can effectively eliminate active tumor cells in the periphery of the tumor. CuS NPs are also released after the degradation of nanomedicine and small‐sized CuS NPs possess better tumor penetration and achieve penetration‐enhanced PTT by further NIR irradiation, thereby effectively eliminating tumor cells inside solid tumors. Hence, cascade multistage cancer treatment of “combined PTT and chemotherapy sensitization”—“penetration‐enhanced PTT” is achieved, and tumor cells are comprehensively and effectively eliminated.
Parametric superlinear double phase problems with singular term and critical growth on the boundary
Authors: Crespo‐Blanco Ángel , Papageorgiou Nikolaos S. , Winkert Patrick
Published: December 2021

In this paper, we study quasilinear elliptic equations driven by the double phase operator along with a reaction that has a singular and a parametric superlinear term and with a nonlinear Neumann boundary condition of critical growth. Based on a new equivalent norm for Musielak–Orlicz Sobolev spaces and the Nehari manifold along with the fibering method, we prove the existence of at least two weak solutions, provided the parameter is sufficiently small.
Polarization properties of random electromagnetic vortex beam propagating in gradient‐index fiber
Authors: Zhao Chungang , Yin Xiaojin , Yang Chen , Wang Jing , Li Jinhong
Published: December 2021

We built the cross‐spectral density matrix elements analytical expression of random electromagnetic Gaussian vortex (REGV) beam propagating in gradient‐index (GRIN) fiber, which is used to study the polarization properties of the beam. The distribution of spectral degree of polarization (SDOP) and state of polarization (SOP) show the same periodicity and symmetry. The distribution law of SDOP and SOP is unchanging with the topological charge m changing and is changed by adjusting the spatial self‐correlation length σxx. The research results have guiding significance for the propagation of random electromagnetic vortex beams in optical fibers, which could be considerable value in high‐speed and large‐capacity optical fiber secure communication.
Non‐reflecting tapered slotline antenna with linear phase responses of both reflection and transmission for short‐pulse applications
Authors: Chen Hongtai , Yang Haitao , Ma Haoyan , Su Yue , Zhao Hongxin , Yin Xiaoxing
Published: December 2021

A non‐reflecting tapered slotline antenna (NRTSA) with linear phase responses of both reflection and transmission is proposed in this article. The non‐reflecting characteristic is achieved by designing a resistive and reactive loading network, which could effectively absorb the non‐radiated reflected signals and transmit the pulse with little distortion simultaneously. The integration of the loading network and the tapered slotline antenna enables the NRTSA to realize the linear phase responses of both port reflection and pulse transmission. Also, the time‐domain reflection and radiation performance of the NRTSA excited by a short‐pulse are investigated. A prototype was fabricated to verify the antenna performance. The measured results show that the NRTSA features a −9‐dB impedance bandwidth from DC to 16 GHz (200%), a peak realized gain of 9.36 dBi, a maximal cross‐polarization level of −14.8 dB (2.5–16 GHz), and a waveform fidelity of 0.95 when transmitting a Gaussian pulse with a spectrum from 4.5 GHz to 12.5 GHz. Both the non‐reflecting characteristic and short‐pulse transmission performance of the NRTSA enable it to be favorable for ultra‐wideband short‐pulse applications.
Hemodynamic, endocrine, and gene expression mechanisms regulating equine ovarian follicular and cellular development
Authors: Wischral Aurea , Pastorello Marilia , Gastal Melba O. , Beg Mohd A. , Gastal Eduardo L.
Published: December 2021

Ovulatory follicle development and associated oocyte maturation involve complex coordinated molecular and cellular mechanisms not yet fully understood. This study addresses the relationships among follicle diameter, follicle wall blood flow, follicular‐fluid factors, and gene expression for follicle growth, steroidogenesis, angiogenesis, and apoptosis in granulosa/cumulus cells and oocytes during different stages from the beginning of largest/ovulatory follicle to impending ovulation in mares. The most remarkable findings were (i) a positive association between follicle development, follicle blood flow, intrafollicular follicle‐stimulating hormone (FSH), luteinizing hormone (LH), estradiol, progesterone, and messenger RNA (mRNA) expression for FSHR and LHCGR in granulosa cells of the largest/ovulatory follicle; (ii) a plateau or decrease in follicle diameter and blood flow and granulosa cell mRNA for FSHR, LHCGR, IGF1R, VEGFR2, CYP19A1, and CASP3 at the preovulatory stage; (iii) higher StAR and BCL2 and lower CASP3 mRNA in granulosa cells at the time of impending ovulation; (iv) greater IGF1R mRNA for granulosa cells at the predeviation stage; and (v) lower FSHR, LHCGR, IGF1R, and VEGFR2 mRNA in cumulus cells and greater LHCGR and IGF1R mRNA in oocytes at the ovulatory stage. This study is a critical advance in the understanding of molecular mechanisms of follicle development and oocyte maturation and is expected to be vital for future studies targeting potential markers.