bluuebunny/crossref_metadata_2025 huggingface dataset:
Meglumine Antimoniate‐Loaded Aqueous‐Core PLA Nanocapsules: Old Drug, New Formulation against Leishmania‐Related Diseases
Authors: Cosco Donato , Bruno Federica , Castelli Germano , Puleio Roberto , Bonacci Sonia , Procopio Antonio , Britti Domenico , Fresta Massimo , Vitale Fabrizio , Paolino Donatella
Published: June 2021

Leishmaniasis is a human and animal disease endemic in tropical and subtropical areas treated by means of pentavalent antimony as first‐line approach. Unfortunately, the formulations available on the market are characterized by significant side effects and a total remission of the disease is difficult to be obtained. The aim of this investigation is to describe the development and characterization of aqueous‐core poly‐l‐lactide (PLA) nanocapsules containing glucantime (meglumine antimoniate, MA) with the aim of increasing the pharmacological efficacy of the active compound. The polymeric systems characterized by a mean diameter of ≈300 nm exert a great interaction with murine macrophages. MA‐loaded PLA nanocapsules show a great antileishmanial activity on mice infected with Leishmania infantum with respect to the free drug, favoring a decrease of the administration times. The biodistribution profiles demonstrate a lower renal accumulation of MA after its nanoencapsulation and a significant increase of its plasmatic half‐life. The parasite load evaluated by immunohistochemistry shows a significant decrease in liver, spleen, and kidneys when mice are treated with MA‐loaded PLA nanocapsules especially after 45 days. The obtained results demonstrate the potential application of MA‐loaded PLA nanocapsules as novel nanomedicine for the treatment of leishmaniasis.
Regenerating Critical Size Rat Segmental Bone Defects with a Self‐Healing Hybrid Nanocomposite Hydrogel: Effect of Bone Condition and BMP‐2 Incorporation
Authors: van Houdt Claire I. A. , Koolen Marianne K. E. , Lopez‐Perez Paula M. , Ulrich Dietmar J. O. , Jansen John A. , Leeuwenburgh Sander C. G. , Weinans Harrie H. , van den Beucken Jeroen J. J. P.
Published: June 2021

The aim of the current study is to assess the biological performance of self‐healing hydrogels based on calcium phosphate (CaP) nanoparticles and bisphosphonate (BP) conjugated hyaluronan (HA) in a critical size segmental femoral bone defect model in rats. Additionally, these hydrogels are loaded with bone morphogenetic protein 2 (BMP‐2) and their performance is compared in healthy and osteoporotic bone conditions. Treatment groups comprise internal plate fixation and placement of a PTFE tube containing hydrogel (HABP‐CaP) or hydrogel loaded with BMP‐2 in two dosages (HABP‐CaP‐lowBMP2 or HABP‐CaP‐highBMP2). Twelve weeks after bone defect surgery, bone formation is analyzed by X‐ray examination, micro‐CT analysis, and histomorphometry. The data show that critical size, segmental femoral bone defects cannot be healed with HABP‐CaP gel alone. Loading of the HABP‐CaP gel with low dose BMP‐2 significantly improve bone formation and resulted in defect bridging in 100% of the defects. Alternatively, high dose BMP‐2 loading of the HABP‐CaP gel does not improve bone formation within the defect area, but leads to excessive bone formation outside the defect area. Bone defect healing is not affected by osteoporotic bone conditions.
Nanoengineering Branched Star Polymer‐Based Formulations: Scope, Strategies, and Advances
Authors: Yong Hui Wen , Kakkar Ashok
Published: June 2021

Soft nanoparticles continue to offer a promising platform for the encapsulation and controlled delivery of poorly water‐soluble drugs and help enhance their bioavailability at targeted sites. Linear amphiphilic block copolymers are the most extensively investigated in formulating delivery vehicles. However, more recently, there has been increasing interest in utilizing branched macromolecules for nanomedicine, as these have been shown to lower critical micelle concentrations, form particles of smaller dimensions, facilitate the inclusion of varied compositions and function‐based entities, as well as provide prolonged and sustained release of cargo. In this review, it is aimed to discuss some of the key variables that are studied in tailoring branched architecture‐based assemblies, and their influence on drug loading and delivery. By understanding structure–property relationships in these formulations, one can better design branched star polymers with suitable characteristics for efficient therapeutic interventions. The role played by polymer composition, chain architecture, crosslinking, stereocomplexation, compatibility between polymers and drugs, drug/polymer concentrations, and self‐assembly methods in their performance as nanocarriers is highlighted.
Poly(amino ester)‐Based Polymers for Gene and Drug Delivery Systems and Further Application toward Cell Culture System
Authors: Hyun Jiyu , Eom Jiin , Song Jihun , Seo Inwoo , Um Soong Ho , Park Kyung Min , Bhang Suk Ho
Published: June 2021

Various synthetic polymers based on poly(amino ester) (PAE) are suggested as candidates for gene and drug delivery owing to their pH‐responsiveness, which contributes to efficient delivery performance. PAE‐based pH‐responsive polymers are more biodegradable and hydrophilic than other types of pH‐responsive polymers. The functionality of PAE‐based polymers can be reinforced by using different chemical modifications to improve the efficiency of gene and drug delivery. Additionally, PAE‐based polymers are used in many ways in the biomedical field, such as in transdermal delivery and stem cell culture systems. Here, the recent novel PAE‐based polymers designed for gene and drug delivery systems along with their further applications toward adult stem cell culture systems are reviewed. The synthetic tactics are contemplated and pros and cons of each type of polymer are analyzed, and detailed examples of the different types are analyzed.
Edible Materials in Tissue Regeneration
Authors: Su Xiaohan , Xian Caihong , Gao Ming , Liu Guiting , Wu Jun
Published: June 2021

Edible materials have attracted increasing attention because of their excellent properties including availability, biocompatibility, biological activity, and biodegradability. Natural polysaccharides, phenolic compounds, and proteins are widely used in tissue regeneration. To better characterize their healing effect, this review article describes the applications of edible materials in tissue regeneration including wound healing and bone tissue regeneration. As an introduction to the topic, their sources and main bioactive properties are discussed. Then, the mechanism by which they facilitate wound healing based on their hemostasis, antibacterial, anti‐inflammatory, and antioxidant properties is systematically investigated. Moreover, a more comprehensive discussion is presented on the approaches by which edible materials can be used as scaffolds or agents for the provision of the components of natural bones for regulating the level of osteogenesis‐related cytokines to enhance bone repair. Finally, the prospects of edible materials for tissue regeneration are discussed.
Nanoparticle‐Mediated STING Agonist Delivery for Enhanced Cancer Immunotherapy
Authors: Zhou Qinghao , Zhou Yu , Li Taiyuan , Ge Zhishen
Published: June 2021

Stimulator of interferon genes (STING) are located in the endoplasmic reticulum of cells, which have been demonstrated to show considerable potentials to achieve efficient antitumor immunity by inducing various pro‐inflammatory cytokines and chemokines, such as type I interferons. A variety of STING agonists have been prepared for STING activation, and many of them have been promoted to preclinical trials or clinical applications for the immunotherapy of cancers. However, the intrinsic disadvantages of the small molecule STING agonists can limit the in vivo application and final therapeutic efficacy due to low bioavailability of targeting tissues. Moreover, a cascade of physiological barriers for in vivo STING activation also limit the accumulation of STING agonists in targeting tissues. Drug delivery systems play an important role to improve the STING activation efficiency. In recent years, a variety of nanoparticle‐mediated STING agonist delivery systems have been engineered and exploited to address the challenges related to the in vivo STING activation, including liposomes, polymeric micelles, polymersomes, and so on. In this review article, the progresses concerning STING agonists and related delivery systems in recent years will be summarized and discussed.
Compatibility between Drugs and Polymer in Nanoparticles Produced by the Miniemulsion‐Solvent Evaporation Technique
Authors: Niyom Yupaporn , Crespy Daniel , Flood Adrian E.
Published: June 2021

Encapsulation of poorly soluble drugs in polymer nanoparticles is a common strategy to increase bioavailability of drugs. The miniemulsion‐solvent evaporation technique is widely used for encapsulating drugs in polymer nanoparticles because it is a versatile process, allowing many drug–polymer pair combinations. However, above a critical concentration of drug, which depends on the drug and polymer, nanoparticles tend to precipitate. Herein, the importance of drug solubility and miscibility in the polymer phase for selecting the optimal polymer matrix is investigated. Ibuprofen, naproxen methyl ester, and naproxen, as models for poorly soluble drugs, are encapsulated with various loadings in polycaprolactone nanoparticles by the miniemulsion‐solvent evaporation method. The miscibility between drug and polymer is estimated by calculating Flory–Huggins interaction parameters (χ) from differential scanning calorimetry measurements and calculating the difference in Hansen solubility parameter of drugs and polymer. Both values can be used for determining the feasibility of the drug encapsulation in polymer nanoparticles.
Highly Stretchable, Strain‐Sensitive, and Antifreezing Macromolecular Microsphere Composite Starch‐Based Hydrogel
Authors: Liu Shengqu , Wang Xiaoyu , Peng Yinjie , Wang Zhisen , Ran Rong
Published: June 2021

Starch‐based hydrogel is widely used as an excellent biocompatibility and biodegradability material. However, due to the disadvantages of poor mechanical properties, brittleness, and low stretchability attribute that remains a challenge to prepare multifunctional starch hydrogel integrating high stretchability, strength, and conducting capacity. In this study, macromolecular microspheres with various wettability are successfully incorporated into the hydrogel prepared using the carboxymethyl starch and polyacrylamide cross‐linked by Fe3+ and covalent cross‐linker, respectively. The obtained double‐network (DN) hydrogel performs good mechanical properties (the fracture stress 483 ± 38 kPa and the elongation at break 1615 ± 25%). Impressively, the obtained DN hydrogels by solvent soaking still maintain excellent mechanical strength and flexibility at −40 °C. Furthermore, it can be assembled to be a resistance‐type strain sensor to detect multiscale strain. Therefore, the strategy can shed light on the preparation of multifunctional starch‐based hydrogel for broad applications.
3D Printing of Polyvinylidene Fluoride Based Piezoelectric Nanocomposites: An Overview
Authors: Koroglu Levent , Ayas Erhan , Ay Nuran
Published: June 2021

Recently, polyvinylidene fluoride (PVDF) based nanocomposites have attracted much attention for next‐generation wearable applications such as promising piezoelectric energy harvesters (nanogenerators), energy storage devices, sensing devices, and biomedical devices due to their high flexibility, and high dielectric and piezoelectric properties. 3D printing technology, PVDF based piezoelectric nanocomposites, the studies based on 3D printing of PVDF based piezoelectric nanocomposites by inkjet printing and fused deposition modeling, and enhancements of energy harvesting and storage performance of nanocomposites by structural design are comprehensively overviewed here. An insight is provided into 3D printing techniques, structure and properties of PVDF based polymers, various nanofillers and production methods for nanocomposites, solutions to enhance β phase (crystallinity) of PVDF, and improvements of nanocomposites’ breakdown strength, discharged energy density, and piezoelectric power output by mentoring structural design.
Monoacylglycerol Lipase Inhibition in Tourette Syndrome: A 12‐Week, Randomized, Controlled Study
Authors: Müller‐Vahl Kirsten R. , Fremer Carolin , Beals Chan , Ivkovic Jelena , Loft Henrik , Schindler Christoph
Published: June 2021

Background

Modulation of the endocannabinoid system via monoacylglycerol lipase inhibition with Lu AG06466 (formerly known as ABX‐1431) has previously been shown to reduce tics in patients with Tourette syndrome.

Objective

The aim of this study was to evaluate the efficacy and safety of Lu AG06466 in reducing tics, premonitory urges, and comorbidities in patients with Tourette syndrome.

Methods

This was a 12‐week, multicenter, randomized, placebo‐controlled, double‐blind clinical trial of Lu AG06466 given at two dose levels in 49 adults with Tourette syndrome.

Results

Both treatment groups showed improvement on the Total Tic Score of the Yale Global Tic Severity Scale; the mean (95% CI) treatment difference at week 8 of 3.0 (0.1, 5.9) (P = 0.043) favored placebo. No significant differences were seen for other endpoints assessing changes in tic severity, premonitory urges, quality of life, and common psychiatric comorbidities. Treatment with Lu‐AG06466 was generally safe.

Conclusions

There was no evidence that Lu AG06466 has efficacy in suppressing tics. © 2021 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society
Colorado calls for pediatric ‘state of emergency’ for children's MH issues
Authors: Canady Valerie A.
Published: June 2021

Observing the health challenges facing children in Colorado that officials say have gone beyond crisis levels, with unprecedented numbers of children presenting with mental health conditions, largely suicidal ideation and attempts, a children's hospital in Colorado on May 27 declared a pediatric “state of emergency” for youth mental health.
Compact spoof surface plasmon polariton leaky‐wave antenna with consistent gain
Authors: Zhu Ao‐qi , Liao Xin , Wang Bo , Peng Lin , Cheng Lin , Liu Yao , Jiang Xing
Published: June 2021

In this letter, a compact and Wide‐angle scanning spoof surface plasmon polariton (SSPP) leaky‐wave antenna (LWA) is proposed. By introducing an interdigital branch into the hole‐shaped SSPP transmission line (SSPP TL), the width of the TL is decreased, realizing the miniaturization of the antenna. Asymmetric periodic structure is introduced to convert the slow‐wave mode to the fast‐wave mode. A prototype of the proposed SSPP LWA is fabricated and characterized. The measured results indicate that the proposed SSPP LWA has a high peak gain (10–13 dBi) and stable gain fluctuation throughout a large beam‐scanning angle range from −54° to +6°, and the impedance bandwidth is 11–16 GHz (about 37%). The measured results agree well with the simulated. Due to the performances of compactness, high efficiency, and consistent gain, the proposed LWA has promising potentials for applications in the fire control radar and imaging radar.
COVID‐19 diagnosis on CT scan images using a generative adversarial network and concatenated feature pyramid network with an attention mechanism
Authors: Li Zonggui , Zhang Junhua , Li Bo , Gu Xiaoying , Luo Xudong
Published: June 2021

Objective

Coronavirus disease 2019 (COVID‐19) has caused hundreds of thousands of infections and deaths. Efficient diagnostic methods could help curb its global spread. The purpose of this study was to develop and evaluate a method for accurately diagnosing COVID‐19 based on computed tomography (CT) scans in real time.

Methods

We propose an architecture named “concatenated feature pyramid network” (“Concat‐FPN”) with an attention mechanism, by concatenating feature maps of multiple. The proposed architecture is then used to form two networks, which we call COVID‐CT‐GAN and COVID‐CT‐DenseNet, the former for data augmentation and the latter for data classification.

Results

The proposed method is evaluated on 3 different numbers of magnitude of COVID‐19 CT datasets. Compared with the method without GANs for data augmentation or the original network auxiliary classifier generative adversarial network, COVID‐CT‐GAN increases the accuracy by 2% to 3%, the recall by 2% to 4%, the precision by 1% to 3%, the F1‐score by 1% to 3%, and the area under the curve by 1% to 4%. Compared with the original network DenseNet‐201, COVID‐CT‐DenseNet increases the accuracy by 1% to 3%, the recall by 4% to 9%, the precision by 1%, the F1‐score by 1% to 3%, and the area under the curve by 2%.

Conclusion

The experimental results show that our method improves the efficiency of diagnosing COVID‐19 on CT images, and helps overcome the problem of limited training data when using deep learning methods to diagnose COVID‐19.

Significance

Our method can help clinicians build deep learning models using their private datasets to achieve automatic diagnosis of COVID‐19 with a high precision.
Routine pretreatment patient‐specific IMRT QA (PS‐IMRT‐QA) should be discontinued and replaced with a real‐time on‐board beam monitoring system (BMS)
Authors: Zygmanski Piotr , Halvorsen Per
Published: June 2021

Overview

In an era of automated measurements and analysis, the time and resource intensive process of dosimetric plan verification for intensity modulated radiation therapy treatments would seem to be ripe for improvement. In this Point‐Counterpoint contribution, the authors debate benefits of methods both hypothetical and established. I offer thanks to our contributors and note that they are writing in the classic style of a debate, the opinions that they argue may or may not reflect their personal views.”
Where to locate COVID‐19 mass vaccination facilities?
Authors: Bertsimas Dimitris , Digalakis Jr Vassilis , Jacquillat Alexander , Li Michael Lingzhi , Previero Alessandro
Published: June 2021

The outbreak of COVID‐19 led to a record‐breaking race to develop a vaccine. However, the limited vaccine capacity creates another massive challenge: how to distribute vaccines to mitigate the near‐end impact of the pandemic? In the United States in particular, the new Biden administration is launching mass vaccination sites across the country, raising the obvious question of where to locate these clinics to maximize the effectiveness of the vaccination campaign. This paper tackles this question with a novel data‐driven approach to optimize COVID‐19 vaccine distribution. We first augment a state‐of‐the‐art epidemiological model, called DELPHI, to capture the effects of vaccinations and the variability in mortality rates across age groups. We then integrate this predictive model into a prescriptive model to optimize the location of vaccination sites and subsequent vaccine allocation. The model is formulated as a bilinear, nonconvex optimization model. To solve it, we propose a coordinate descent algorithm that iterates between optimizing vaccine distribution and simulating the dynamics of the pandemic. As compared to benchmarks based on demographic and epidemiological information, the proposed optimization approach increases the effectiveness of the vaccination campaign by an estimated 20%, saving an extra 4000 extra lives in the United States over a 3‐month period. The proposed solution achieves critical fairness objectives—by reducing the death toll of the pandemic in several states without hurting others—and is highly robust to uncertainties and forecast errors—by achieving similar benefits under a vast range of perturbations.
The time‐consistent dial‐a‐ride problem
Authors: Tellez Oscar , Vercraene Samuel , Lehuédé Fabien , Péton Olivier , Monteiro Thibaud
Published: June 2021

In the context of door‐to‐door transportation of people with disabilities, service quality considerations such as maximum ride time and service time consistency are critical requirements. To identify a good trade‐off between these considerations and economic objectives, we define a new variant of the multiperiod dial‐a‐ride problem called the time‐consistent dial‐a‐ride problem. A transportation planning is supposed to be time consistent if for each passenger, the same service time is used all along the planning horizon. However, considering the numerous variations in transportation demands over a week, designing consistent plans for all passengers can be too expensive. It is therefore necessary to find a compromise solution between costs and time‐consistency objectives. The time‐consistent dial‐a‐ride problem is solved using an epsilon‐constraint approach to illustrate the trade‐off between these two objectives. It computes an approximation of the Pareto front, using a matheuristic framework that combines a large neighbourhood search with the solution of set partitioning problems. This approach is benchmarked on time‐consistent vehicle routing problem literature instances. Experiments are also conducted in the context of door‐to‐door transportation for people with disabilities, using real data. These experiments support managerial insights regarding the inter‐relatedness of costs and quality of service.
Awareness of heart disease and associated health behaviours in a developing country: A qualitative study
Authors: Bulto Lemma N. , Magarey Judy , Rasmussen Philippa , Hendriks Jeroen M. L.
Published: June 2021

Aim

The aim of this study was to explore awareness of heart disease and associated health behaviours.

Design

A qualitative study was conducted using in‐depth interviews.

Methods

The study participants were patients with hypertension. Data analysis was guided by Braun and Clarke's steps of thematic analysis and using NVivo12 software.

Results

A total of 18 patients with hypertension were interviewed. The patients had poor understanding of heart disease and were not concerned about developing heart disease in the future. Barriers to fruit and vegetable consumption were poor access, cost and sociocultural factors, whereas being busy, poor physical health and lack of access to an exercise facility were barriers to physical activity.
Using lecture podcasts in the COVID‐19 transition to virtual post‐secondary education in agriculture
Authors: Barnes Jared , Carraway Candis , Jones Stephanie
Published: June 2021

In the spring 2020 semester, Stephen F. Austin State University (SFASU), located in Nacogdoches, TX, transitioned face‐to‐face classes to online instruction because of the COVID‐19 pandemic. The east Texas region suffers from some of the poorest internet availability in the nation. Thus, limitations exist for streaming lectures or having students download large files. Podcasts are small audio files that can be downloaded from the internet for learning. Research has shown that the use of lecture podcasts have a variety of benefits for both faculty and students. Lecture podcasts provide students small file sizes to download and access and allow them to engage with the course material asynchronously. Therefore, the decision was made to record lecture podcasts for Cultivating Plants, Plant Propagation, and Plant Breeding to deliver educational content for the class. An end of semester survey conducted by the SFASU Agriculture Department indicated that 59% of students who engaged with this type of learning felt it was extremely effective. Additional student comments and semester reflections also provided feedback. This example provides further evidence that lecture podcasts can be a useful tool for educators in an ever‐changing world.
Surface wettability, tensile mechanical performance, and tribological behavior of polyimide/polytetrafluoroethylene blends enhanced with hydroxylated multiwalled carbon nanotubes at high relative humidity
Authors: Yan Shi‐Cheng , Xue Ya‐Hong
Published: June 2021

Multiwalled carbon nanotubes were hydroxylated (MWCNTs‐OH) by a strong acid mixture and then used as a reinforcement nanofiller in blends of polytetrafluoroethylene (PTFE) and polyimide (PI) to fabricate MWCNTs‐OH/PTFE/PI nanocomposites. The influences of MWCNTs‐OH additions on the surface wettability, tensile mechanical property, and tribological behaviors of MWCNTs‐OH/PTFE/PI nanocomposites under different relative humidity were investigated. Test results indicate that the introduction of MWCNTs‐OH can dramatically decrease the static water contact angles and increase the tensile strengths and elastic moduli of the PTFE/PI polymer blends. This is largely due to the existence of numerous hydrophilic functional groups on the surfaces of MWCNTs‐OH and its ultrahigh mechanical characteristics. The relative humidity has a much weaker impact on the friction coefficients of the MWCNTs‐OH/PTFE/PI nanocomposites than on the wear rates. Of all composites, the 0.8 wt% MWCNTs‐OH/PTFE/PI nanocomposite possesses the lowest friction coefficient (0.11) and wear rate (2.97 × 10−15 m3/(Nm)) at a high relative humidity of 90%. The conspicuous increase in wear resistance is attributable to the enhancement effect of MWCNTs‐OH and the generation of homogeneous polymer self‐lubricating tribofilms.
Fetal double outlet right ventricle without heterotaxy syndrome: Diagnostic spectrum, associated extracardiac pathology and clinical outcomes
Authors: Young Aisling A. , McBrien Angela , Caluseriu Oana , Haberer Kim , Wewala Gayathri , Eckersley Luke , Hornberger Lisa K.
Published: June 2021

Objectives

To document the clinical spectrum and outcomes of fetal double outlet right ventricle (DORV) without heterotaxy in a recent diagnostic era.

Methods

Prenatal cases of DORV consecutively diagnosed from 2007 to 2018 were retrospectively identified. Clinical records, including details regarding genetic testing and pre and postnatal imaging were reviewed.

Results

DORV was diagnosed in 99 fetuses without heterotaxy. The most common anatomic subtype was subaortic ventricular septal defect (VSD) and normally related great arteries with (n = 45, 45%) or without (n = 13, 13%) pulmonary stenosis. The remainder had a subpulmonic VSD with transposed great arteries (n = 15, 15%), atrioventricular valve atresia (n = 24, 24%), or remote VSD (n = 2, 2%). A genetic diagnosis was found in 32 (34%) of 93 tested. Major extracardiac anomalies were found in 40 (40%), including 17/24 (71%) with and 22/69 (32%) without an abnormal karyotype, with VACTERL association in 9. Genetic and/or extracardiac pathology was identified in 37/58 (64%) with a subaortic VSD, 5/15 (33%) with a subpulmonic VSD, 9/24 (38%) of those with AV valve atresia and 2/2 (100%) with a remote VSD. A genetic abnormality was a significant predictor of fetal demise (9/37 vs 1/62 p < 0.01) or pregnancy termination (12/35 vs 9/64 p = 0.03).

Conclusions

Fetal DORV is associated with a high rate of genetic abnormalities and extracardiac pathology. The presence of genetic abnormalities impacts prenatal outcomes and parental decision‐making.
Novel phenylamine‐based oxime ester photoinitiators for LED‐induced free radical, cationic, and hybrid polymerization
Authors: Hammoud Fatima , Lee Zhong‐Han , Graff Bernadette , Hijazi Akram , Lalevée Jacques , Chen Yung‐Chung
Published: June 2021

Four new photoinitiators (PI's) containing various phenylamine‐based groups as chromophores and oxime ester (OXE) as initiating groups are proposed for the free radical polymerization, the cationic polymerization, and interpenetrated polymer networks upon visible light exposure using a light emitting diodes at 405 nm. These compounds showed outstanding polymerization photoinitiation ability, that is, high‐polymerization rates and good final reactive function conversions were obtained. The chemical mechanisms by which these OXE's generate reactive species were investigated through different techniques including real‐time Fourier transform infrared spectroscopy, UV–visible spectroscopy, fluorescence (time‐resolved or steady state) as well as cyclic voltammetry. Markedly, the proposed structures can be used as thermal initiators indicating all of them can be polymerized under suitable reaction temperature. In addition, due to their high efficiency, these optimized PI's were found to be useful @405 nm for both direct laser write and 3D printing applications.
How does the hydrophobic content of methacrylate ABA triblock copolymers affect polymersome formation?
Authors: Zhang Xinmo , Contini Claudia , Constantinou Anna P. , Doutch James J. , Georgiou Theoni K.
Published: June 2021

Polymersomes are exciting self‐assembled structures with great potential in pharmaceutical applications. A systematic investigation of a novel series of methacrylate‐based polymersomes is reported in this study. Five well‐defined ABA triblock copolymers with A being based on tri(ethylene glycol) methyl methacrylate and B being based on 2‐(diethylamino)ethyl methacrylate (DMAEMA) were synthesized using a living polymerization method. The effect of the composition of the ABA triblock copolymers on the thickness of the hydrophobic membrane of the polymersomes and the release of a model drug is demonstrated.
High Loading Efficiency and Controlled Release of Bioactive Immunotherapeutic Proteins Using Vaterite Nanoparticles
Authors: Choukrani Ghizlane , Álvarez Freile Jimena , Avtenyuk Natasha Ustyanovska , Wan Wei , Zimmermann Kerstin , Bremer Edwin , Dähne Lars
Published: June 2021

Nanoparticles may limit off‐tumor/on‐target ubiquitous activation of signaling by protein‐based drugs. However, many challenges still exist in the design of a nanoparticle for protein delivery. In this study, conditions to establish vaterite nanoparticles as a pH‐sensitive drug delivery system (DDS) for encapsulated protein drugs are comprehensively evaluated. Low coprecipitation pH of vaterite and protein prevents protein denaturation and yields high loading efficiency. Unprotected vaterite recrystallizes in aqueous solutions within 3 h to calcite and releases the loaded protein completely, but surface‐modified particles with carboxyl groups containing polymers prove stable for more than 5 months. Notably, modification of vaterite with sulfonated polymers increases the loading of cationic proteins by a multiple. A system is developed for vaterite exposure to (pH) conditions under body‐like‐flow rates, with the dissolution of vaterite and simultaneous release of active proteins at tumor microenvironmental pH reaching up to 80% and only 20% at physiological pH within 2 h. Importantly, the immunomodulatory protein tumor necrosis factor preserves its native structure and fully retains functional activity in vitro after release from the particles. In conclusion, the studies described here provide a framework for the development of vaterite‐based DDS as a carrier for bioactive protein‐based therapeutics.
From Kuru to Alzheimer: A personal outlook
Authors: Brunori Maurizio
Published: June 2021

Seventy years ago, we learned from Chris Anfinsen that the stereochemical code necessary to fold a protein is embedded into its amino acid sequence. In water, protein morphogenesis is a spontaneous reversible process leading from an ensemble of disordered structures to the ordered functionally competent protein; conforming to Aristotle's definition of substance, the synolon of matter and form. The overall process of folding is generally consistent with a two state transition between the native and the denatured protein: not only the denatured state is an ensemble of several structures, but also the native protein populates distinct functionally relevant conformational (sub)states. This two‐state view should be revised, given that any globular protein can populate a peculiar third state called amyloid, characterized by an overall architecture that at variance with the native state, is by‐and‐large independent of the primary structure. In a nut shell, we should accept that beside the folded and unfolded states, any protein can populate a third state called amyloid which gained center stage being the hallmark of incurable neurodegenerative disorders, such as Alzheimer's and Parkinson's diseases as well as others. These fatal diseases are characterized by clear‐cut clinical differences, yet display some commonalities such as the presence in the brain of amyloid deposits constituted by one misfolded protein specific for each disease. Some aspects of this complex problem are summarized here as an excursus from the prion's fibrils observed in the brain of aborigines who died of Kuru to the amyloid detectable in the cortex of Alzheimer's patients.
A hierarchical deep learning based approach for multi‐functional enzyme classification
Authors: Khan Kinaan Aamir , Memon Safyan Aman , Naveed Hammad
Published: June 2021

Enzymes are critical proteins in every organism. They speed up essential chemical reactions, help fight diseases, and have a wide use in the pharmaceutical and manufacturing industries. Wet lab experiments to figure out an enzyme's function are time consuming and expensive. Therefore, the need for computational approaches to address this problem are becoming necessary. Usually, an enzyme is extremely specific in performing its function. However, there exist enzymes that can perform multiple functions. A multi‐functional enzyme has vast potential as it reduces the need to discover/use different enzymes for different functions. We propose an approach to predict a multi‐functional enzyme's function up to the most specific fourth level of the hierarchy of the Enzyme Commission (EC) number. Previous studies can only predict the function of the enzyme till level 1. Using a dataset of 2,583 multi‐functional enzymes, we achieved a hierarchical subset accuracy of 71.4% and a Macro F1 Score of 96.1% at the fourth level. The robustness of the network was further tested on a multi‐functional isoforms dataset. Our method is broadly applicable and may be used to discover better enzymes. The web‐server can be freely accessed at http://hecnet.cbrlab.org/.
Waves and coherent flows in the tropical atmosphere: New opportunities, old challenges
Authors: Stephan Claudia C. , Žagar Nedjeljka , Shepherd Theodore G.
Published: June 2021

Atmospheric science relies on numerical models to simulate the complex multiscale nature of atmospheric variability, but our confidence in weather and climate predictions relies on theory and simplified models that describe scale interactions at a mechanistic level and can provide causal accounts of atmospheric behaviour. Global simulations at kilometre‐scale resolution are now feasible and offer new opportunities to the atmospheric science community for testing and expanding our understanding of climate variability and change. Taking full advantage of this new tool requires smart strategies for evaluating and analysing the output, especially as kilometre‐scale climate modelling will be limited to relatively short simulations with a rather small number of realizations. We here review some of the available tools for diagnosing and studying the dynamics of waves, coherent flows, and the interactions between them in terms of their ability to provide causal accounts of the behaviour seen in observations and in comprehensive simulation models. We describe their successes but also some of their limitations. The limitations are seen to be especially pronounced in the Tropics, where clouds, convection and atmospheric circulation are inextricably linked. The lack of a natural spatial truncation scale in the Tropics has given rise to many theoretical challenges, but it is for precisely this reason that the Tropics are where we might expect the largest gain from global kilometre‐scale models.
Implementation of Geometric Quantum Gates on Microwave‐Driven Semiconductor Charge Qubits
Authors: Zhang Chengxian , Chen Tao , Wang Xin , Xue Zheng‐Yuan
Published: June 2021

A semiconductor‐based charge qubit, confined in double quantum dots, can be a platform to implement quantum computing. However, it suffers severely from charge noises. Here, a theoretical framework to implement universal geometric quantum gates in this system is provided. It is found that, while the detuning noise can be suppressed by operating near its corresponding sweet spot, the tunneling noise, on the other hand, is amplified and becomes the dominant source of error for single‐qubit gates, a fact previously insufficiently appreciated. It is demonstrated, through numerical simulation, that the geometric gates outperform the dynamical gates across a wide range of tunneling noise levels, making them particularly suitable to be implemented in conjunction with microwave driving. To obtain a nontrivial two‐qubit gate, a hybrid system is introduced with charge qubits coupled by a superconducting resonator. When each charge qubit is in resonance with the resonator, it is possible to construct an entangling geometric gate with fidelity higher than that of the dynamical gate for experimentally relevant noise levels. Therefore, the results suggest that geometric quantum gates are powerful tools to achieve high‐fidelity manipulation for the charge qubit.
Design of SnO2/ZnO@ZIF‐8 Hydrophobic Nanofibers for Improved H2S Gas Sensing
Authors: Wang Yumeng , Wang Xinchang , Qi Beiying , Cheng Jipeng , Wang Xinyue , Shang Yuanyuan , Jia Jianfeng
Published: June 2021

SnO2/ZnO@ZIF‐8 core‐shell nanofibers were synthesized by electrospinning and hydrothermal etching ZnO component of SnO2/ZnO nanofibers. It is found that the ZIF‐8 coated SnO2/ZnO nanostructures are obtained, and the ZIF‐8 coating can obviously increase the specific surface area of nanofibers. H2S sensing properties of the sensors based on composite nanofibers were investigated. The results show that SnO2/ZnO@ZIF‐8 core‐shell nanostructures can not only improve the response to H2S, but also effectively reduce the interference of ambient humidity on semiconductor gas sensors. The response of the optimal sample to 5 ppm H2S can reach 202.3, which is about 19 times higher than that of pure SnO2 nanofibers. Compared with the response at the ambient humidity of 55 %RH, the response at the ambient humidity of 90 %RH can still maintain 84.7 %. Good selectivity and stability are also observed in our investigations.
Synthesis ofN‐Acetylcysteine Conjugated Cholic Acid Stabilized Gold and Silver Nanoparticles: Evaluation of Their Catalytic Activity and Toxicity Assessment
Authors: Ezhumalai Nishanthi , Nanthagopal Manivannan , Chandirasekar Shanmugam , Elumalai Manikandan , Narayanasamy Mathivanan , Singaravelu Ganesan , Rajendiran Nagappan
Published: June 2021

Here we report an efficient and simple protocol for the preparation ofN‐acetylcysteine conjugated cholic acid (ACyCA) by adopting thiol‐yne click chemistry approach. The synthesized ACyCA amphiphiles showed primary and secondary critical micellar concentration (CMC) at 3.6 and 11.05 mM. The prepared ACyCA was used as a soft template for the preparation of gold (Au) and silver (Ag) nanoparticles (NPs) under sun light exposure. The optical and morphological properties of NPs were studied by UV‐visible, DLS, zeta potential and HR‐TEM techniques. The synthesized NPs having monodispersed spherical shaped and anisotropic nature with an average size of ∼10.5 nm and ∼45.8 nm for Au and Ag NPs, respectively. The catalytic activity of the prepared NPs was evaluated for the reduction of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP) as a model reaction and the apparent rate constant (kapp) was found to be 3.27×10−4 s−1and 15.6×10−4 s−1for Au and Ag NPs respectively. Also, Ag and Au NPs were screened for antimicrobial activity against five human pathogens. Among these, AgNPs showed maximum zone of inhibition (ZOI) 23 mm forStaphylococcus aureuswhen compared to AuNPs, and the minimum inhibitory concentration of AgNPs was found to be 64 μg/mL forS. aureus. From the haemocompatibility studies, the AgNPs showed more compatibility for the human blood cells as compared to AuNPs. Multiphoton confocal fluorescent microscopic observation of bacterial cells treated with AgNPs showed 45 to 50 % of dead cells.
Directed Synthesis of Regioisomeric Monoaryl‐Substituted Pyridines Containing a Tricyanobutadiene Fragment and Study on Their Optical Properties
Authors: Shishlikova Maria A. , Ievlev Mikhail Yu , Bardasov Ivan N. , Ershov Oleg V.
Published: June 2021

A series of regioisomeric monoaryl‐substituted pyridines containing a tricyanobutadiene fragment were prepared using modified known and novel developed synthetic approaches. Advantages and limitations of the used methods were discussed. Dependence of the optical absorption and emission characteristics on the position of aromatic substituent was studied. An unusual intramolecular charge transfer from malononitrile fragment to the pyridine ring was found, which was consistent with observed experimental and theoretical data.
Bioinspired Solid‐State Nanochannel Sensors: From Ionic Current Signals, Current, and Fluorescence Dual Signals to Faraday Current Signals
Authors: Zhang Dan , Zhang Xuanjun
Published: June 2021

Inspired from bioprotein channels of living organisms, constructing “abiotic” analogues, solid‐state nanochannels, to achieve “smart” sensing towards various targets, is highly seductive. When encountered with certain stimuli, dynamic switch of terminal modified probes in terms of surface charge, conformation, fluorescence property, electric potential as well as wettability can be monitored via transmembrane ionic current, fluorescence intensity, faraday current signals of nanochannels and so on. Herein, the modification methodologies of nanochannels and targets‐detecting application are summarized in ions, small molecules, as well as biomolecules, and systematically reviewed are the nanochannel‐based detection means including 1) by transmembrane current signals; 2) by the coordination of current‐ and fluorescence‐dual signals; 3) by faraday current signals from nanochannel‐based electrode. The coordination of current and fluorescence dual signals offers great benefits for synchronous temporal and spatial monitoring. Faraday signals enable the nanoelectrode to monitor both redox and non‐redox components. Notably, by incorporation with confined effect of tip region of a needle‐like nanopipette, glorious in‐vivo monitoring is conferred on the nanopipette detector at high temporal‐spatial resolution. In addition, some outlooks for future application in reliable practical samples analysis and leading research endeavors in the related fantastic fields are provided.
Confinement of Zinc Salt in Ultrathin Heterogeneous Film to Stabilize Zinc Metal Anode
Authors: Cui Junya , Li Zhenhua , Xu Annan , Li Jianbo , Shao Mingfei
Published: June 2021

Aqueous zinc metal batteries (AZMBs) have drawn great attention due to the high theoretical capacity, low redox potential, and abundance reserves. However, the practical application of rechargeable AZMBs are hindered by the poor reversibility of Zn metal anode, owing to easy dendrite growth and serious side reactions. Herein, the preparation of heterogeneous interfacial film with highly dispersed and confined zinc salt in a 2D channel by coassembling polyamide 6, zinc trifluoromethanesulfonate, and layered double hydroxides, which significantly suppresses the dendrite formation, H2 evolution reaction as well as O2 corrosion is reported. The as‐developed Zn anodes exhibit a long cycling life up to 1450 h with low reversible deposition potential. Moreover, the assembled Zn||Mn battery delivers a high initial capacity of 321 mAh g−1 and a low capacity decay of ≈0.05% per cycle after 590 cycles, which is promising for high‐performance AZMBs. A fluorescent film to realize the in situ observation of the Zn anode during cycling, which provides a new chance for visual observation of the working state of the Zn interface, is also assembled.
Good Solid‐State Electrolytes Have Low, Glass‐Like Thermal Conductivity
Authors: Cheng Zhe , Zahiri Beniamin , Ji Xiaoyang , Chen Chen , Chalise Darshan , Braun Paul V. , Cahill David G.
Published: June 2021

Thermal management in Li‐ion batteries is critical for their safety, reliability, and performance. Understanding the thermal conductivity of the battery materials is crucial for controlling the temperature and temperature distribution in batteries. This work provides systemic quantitative measurements of the thermal conductivity of three important classes of solid electrolytes (SEs) over the temperature range 150 < T < 350 K. Studies include the oxides Li1.5Al0.5Ge1.5(PO4)3 and Li6.4La3Zr1.4Ta0.6O12, sulfides Li2S–P2S5, Li6PS5Cl, and Na3PS4, and halides Li3InCl6 and Li3YCl6. Thermal conductivities of sulfide and halide SEs are in the range 0.45–0.70 W m−1 K−1; thermal conductivities of Li6.4La3Zr1.4Ta0.6O12 and Li1.5Al0.5Ge1.5(PO4)3 are 1.4 and 2.2 W m−1 K−1, respectively. For most of the SEs studied in this work, the thermal conductivity increases with increasing temperature, that is, the thermal conductivity has a glass‐like temperature dependence. The measured room‐temperature thermal conductivities agree well with the calculated minimum thermal conductivities indicating that the phonon mean‐free‐paths in these SEs are close to an atomic spacing. The low, glass‐like thermal conductivity of the SEs investigated is attributed to the combination of their complex crystal structures and the atomic‐scale disorder induced by the materials processing methods that are typically needed to produce high ionic conductivities.
Managing Defects Density and Interfacial Strain via Underlayer Engineering for Inverted CsPbI2Br Perovskite Solar Cells with All‐Layer Dopant‐Free
Authors: Han Dongwei , Yi Siwei , Yuan Quan , Tang Xiaoxuan , Shu Qianwen , Li Qiaoyan , Wang Feng , Zhou Dong‐Ying , Feng Lai
Published: June 2021

Inorganic perovskite CsPbI2Br has advantages of excellent thermal stability and reasonable bandgap, which make it suitable for top layer of tandem solar cells. Nevertheless, solution‐processed all‐inorganic perovskites generally suffer from high‐density defects as well as significant tensile strain near underlayer/perovskite interface, both leading to compromised device efficiency and stability. In this work, the defect density as well as interfacial tensile strain in inverted CsPbI2Br perovskite solar cells (PeSCs) is remarkably reduced by using a bilayer underlayer composed of dopant‐free 2,2′,7,7′‐tetrakis(N,N‐dip‐methoxyphenylamine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD) and copper phthalocyanine 3,4′,4″,4′″‐tetrasulfonated acid tetrasodium salt (TS‐CuPc) nanoparticles. As compared to control devices with pristine Spiro‐OMeTAD, devices based on Spiro‐OMeTAD/TS‐CuPc exhibit remarkably improved photovoltaic performance and enhanced thermal/humidity stability due to the better perovskite crystallization, improved interfacial passivation, and hole‐collection as well as efficient interfacial strain release. As a result, a champion efficiency of 14.85% can be achieved, which is approaching to the best reported for dopant‐free and inverted all‐inorganic PeSCs. The work thus provides an efficient strategy to simultaneously regulate the defects density and strain issue related to inorganic perovskites.