bluuebunny/crossref_metadata_2025 huggingface dataset:
CeO2 Nanoparticles Boosted Fe‐N‐C Sites Derived from Dual Metal Organic Frameworks toward Highly Active and Durable Oxygen Reduction Reaction
Authors: Qiu Chenxi , Gao Rui , Guo Yizheng , Qin Jiaqi , Zhang Guanghui , Song Yujiang
Published: July 2022

The durability improvement of Fe‐N‐C electrocatalysts toward acidic oxygen reduction reaction (ORR) remains a grand challenge. H2O2 seriously degrades Fe‐N‐C sites, which account for a major origin of the low durability. Herein, the growth of hemin decorated zeolitic imidazole framework (hemin‐ZIF 8) on preformed Ce‐1,3,5‐benzenecarboxylic acid (Ce‐BTC) metal organic frameworks (MOFs) is reported. Interestingly, the resultant dual MOFs appear to be Ce‐BTC nanorods decorated with many hemin‐ZIF 8 dodecahedral nanocrystals, well resembling rice panicles. After pyrolysis, CeO2 nanoparticles are evenly distributed in carbonized nanorods and abundant Fe‐N‐C sites are embedded in shrunk dodecahedra, labeled as Fe‐N‐C‐CeO2. Fe‐N‐C‐CeO2 exhibits a high ORR activity in terms of a half wave potential (E1/2) of 0.800 V (vs RHE). The high ORR activity is closely correlated with the well exposure of Fe‐N‐C sites. In addition, the presence of CeO2 leads to a low H2O2 yield of Fe‐N‐C‐CeO2 (2.3%), much lower than that of Fe‐N‐C (4.3%) by itself in the absence of CeO2. After 5000 potential cycling, the E1/2 of Fe‐N‐C‐CeO2 degrades 15 mV superior to that of Fe‐N‐C (42 mV). Moreover, a single cell with Fe‐N‐C‐CeO2 as cathode degrades much slower than that of Fe‐N‐C (28 000 s vs 7200 s) during chronoamperometric measurements.
High‐Efficiency Graphene‐Oxide/Silicon Solar Cells with an Organic‐Passivated Interface
Authors: Gao Qing , Yan Jun , Wan Lu , Zhang Cuili , Wen Zhixi , Zhou Xin , Li Han , Li Feng , Chen Jingwei , Guo Jianxin , Song Dengyuan , Flavel Benjamin S. , Chen Jianhui
Published: July 2022

A breakthrough in graphene‐oxide/silicon heterojunction solar cells is presented in which edge‐oxidized graphene and an in‐plane charge transfer dopant (Nafion) are combined to form a high‐quality passivating contact scheme. A graphene oxide (GO):Nafion ink is developed and an advanced back‐junction GO:Nafion/n‐Si solar cell with a high‐power conversion efficiency (18.8%) and large area (5.5 cm2) is reported. This scalable solution‐based processing technique has the potential to enable low‐cost carbon/silicon heterojunction photovoltaic devices.
Self‐Powered All‐Optical Tactile Sensing Platform for User‐Interactive Interface
Authors: Wei Ruilai , He Jiaqi , Ge Shuaipeng , Liu Hu , Ma Xiaole , Tao Juan , Cui Xi , Mo Xiaoming , Li Zhou , Wang Chunfeng , Pan Caofeng
Published: July 2022

User‐interactive interfaces, converting tactile stimuli into readable signals to users and devices simultaneously, improve the communication and interaction between human and machines and therefore greatly contribute to the safety and dexterity during the interactions. However, the concomitant challenges of current user‐interactive interfaces such as complex architecture, massive electrodes and fussy cable connections, bulky and unhandy power supply, and deficiency in multistimuli responses have yet to be solved. Herein, an all‐optical tactile sensing platform consisting of heterogeneous mechanoluminescent materials and polymer matrix is proposed for the conversion of multiple tactile stimuli into heterochromatic lights in an untethered and self‐powered manner. The all‐optical tactile sensing platform can respond to tiny shear force such as fingertip slipping with a low limit of 2 N and wide range of strains ranging from 30% to 70% with appropriate discrimination. Most importantly, the visualization of tactile stimuli with human‐ and machine‐readability and vividness permit remote and wireless user‐interactive applications such as videogames and RC car control, assisted with the developed method of active optical signal recognition. This work presents a paradigm shift to user‐interactive interfaces, boosting their implementation in multitudinous areas such as artificial intelligences and the Internet of Things.
Self‐Adaptive Hierarchical Gradient Structure‐Based In Situ Sensor with High‐Pressure Resolution
Authors: Luo Zewei , Huang Zepeng , Liu Xingchi , Ye Changqing , Luo Chen , Wang Chaolun , Cai Chunhua , Lv Liangjian , Bi Hengchang , Chu Junhao , Wu Xing , Shen Guozhen
Published: July 2022

Pressure sensors are a promising design paradigm for wearable devices required to interact gently with the environment. To enable flexible sensors to respond intelligently to the surroundings, microstructures for subtle pressure and force waveform detection are needed. Here, a self‐adaptive pressure sensor is reported in which graphene‐based flakes adhere to the melamine sponge backbones forming hierarchical structures and exhibiting high‐pressure resolution. Under a high preload pressure of 100 kPa, the pressure sensor demonstrates a high‐pressure resolution ability of ≈1‰. The self‐adaptive microstructure change and mechanical behavior are observed simultaneously and dynamically using in situ electron microscopy. The high‐pressure resolution of the pressure sensor enables it to monitor subtle human ballistocardiogram signals, which demonstrates excellent potential in multifarious applications of human motion detection and health monitoring.
One‐Pot Synthesis of Quinazolines via Elemental Sulfur‐Mediated Oxidative Condensation of Nitriles and 2‐(Aminomethyl)anilines
Authors: Tan Yuxing , Jiang Wujiu , Ni Penghui , Fu Yang , Ding Qiuping
Published: July 2022

A strategy for the synthesis of quinazolines via elemental sulfur‐mediated oxidative condensation of nitriles and 2‐(aminomethyl)anilines was developed. The reaction was carried out under metal‐/solvent‐free conditions, tolerates a wide range of functional groups to provide the corresponding products in 56%‐91% yield, and can be performed on a gram‐scale. The UV/Vis absorption and fluorescence spectra of several product derivatives were measured to study their photophysical properties.

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Speech and language development and genotype–phenotype correlation in 49 individuals with KAT6A syndrome
Authors: St John Miya , Amor David J. , Morgan Angela T.
Published: July 2022

Pathogenic KAT6A variants cause syndromic neurodevelopmental disability. “Speech delay” is reported, yet none have examined specific speech and language features of KAT6A syndrome. Here we phenotype the communication profile of individuals with pathogenic KAT6A variants. Medical and communication data were acquired via standardized surveys and telehealth‐assessment. Forty‐nine individuals (25 females; aged 1;5–31;10) were recruited, most with truncating variants (44/49). Intellectual disability/developmental delay (42/45) was common, mostly moderate/severe, alongside concerns about vision (37/48), gastrointestinal function (33/48), and sleep (31/48). One‐third (10/31) had a diagnosis of autism. Seventy‐three percent (36/49) were minimally‐verbal, relying on nonverbal behaviors to communicate. Verbal participants (13/49) displayed complex and co‐occurring speech diagnoses regarding the perception/production of speech sounds, including phonological impairment (i.e., linguistic deficits) and speech apraxia (i.e., motor planning/programming deficits), which significantly impacted intelligibility. Receptive/expressive language and adaptive functioning were also severely impaired. Truncating variants in the last two exons of KAT6A were associated with poorer communication, daily‐living skills, and socialization outcomes. In conclusion, severe communication difficulties are present in KAT6A syndrome, typically on a background of significant intellectual disability, vision, feeding and motor deficits, and autism in some. Most are minimally‐verbal, with apparent contributions from underlying motor deficits and cognitive‐linguistic impairment. Alternative/augmentative communication (AAC) approaches are required for many into adult life. Tailored AAC options should be fostered early, to accommodate the best communication outcomes.
Monogenic focal segmental glomerulosclerosis: A conceptual framework for identification and management of a heterogeneous disease
Authors: Sambharia Meenakshi , Rastogi Prerna , Thomas Christie P.
Published: July 2022

Focal segmental glomerulosclerosis (FSGS) is not a disease, rather a pattern of histological injury occurring from a variety of causes. The exact pathogenesis has yet to be fully elucidated but is likely varied based on the type of injury and the primary target of that injury. However, the approach to treatment is often based on the degree of podocyte foot process effacement and clinical presentation without sufficient attention paid to etiology. In this regard, there are many monogenic causes of FSGS with variable presentation from nephrotic syndrome with histological features of primary podocytopathy to more modest degrees of proteinuria with limited evidence of podocyte foot process injury. It is likely that genetic causes are largely underdiagnosed, as the role and the timing of genetic testing in FSGS is not established and genetic counseling, testing options, and interpretation of genotype in the context of phenotype may be outside the scope of practice for both nephrologists and geneticists. Yet most clinicians believe that a genetic diagnosis can lead to targeted therapy, limit the use of high‐dose corticosteroids as a therapeutic trial, and allow the prediction of the natural history and risk for recurrence in the transplanted kidney. In this manuscript, we emphasize that genetic FSGS is not monolithic in its presentation, opine on the importance of genetic testing and provide an algorithmic approach to deployment of genetic testing in a timely fashion when faced with a patient with FSGS.
Bifunctional Metal‐free Heterogeneous Catalyst for the Synthesis of Methanol and Diols from CO2 and Epoxide
Authors: Chatterjee Rupak , Bhattacharjee Sudip , Bhaumik Asim
Published: July 2022

Currently world is facing a serious environmental concern in the steady increase in the CO2 concentration in air and this is directly related to climate change. Thus, successful utilization of CO2 into valuable chemicals is one of our primary goals. Herein, we have successfully fabricated a porous organic polymer PDVTA‐1 via the free radical cross coupling between divinylbenzene and triallyl amine. This porous polymer is found to possess permanent porosity with a very high BET surface area of 915 m2 g−1. Furthermore, upon sulfonation PDVTA‐1 is found to be very active as a bifunctional catalyst with a high BET surface area of 477 m2g‐1 and it efficiently catalyzes the synthesis of methanol and diols from CO2 and respective epoxide under solvent‐free process and relatively milder reaction conditions. In this method 34% yield of methanol and 53% propylene glycol are produced from CO2 and propylene oxide by using considerably mild reducing agent Et3SiH.
Highly Efficient Electrocatalytic Oxygen Evolution Over Atomically Dispersed Synergistic Ni/Co Dual Sites
Authors: Pei Zhihao , Lu Xue Feng , Zhang Huabin , Li Yunxiang , Luan Deyan , Lou Xiong Wen (David)
Published: July 2022

Single‐atom catalysts (SACs) are being pursued as economical electrocatalysts. However, their low active‐site loading, poor interactions, and unclear catalytic mechanism call for significant advances. Herein, atomically dispersed Ni/Co dual sites anchored on nitrogen‐doped carbon (a‐NiCo/NC) hollow prisms are rationally designed and synthesized. Benefiting from the atomically dispersed dual‐metal sites and their synergistic interactions, the obtained a‐NiCo/NC sample exhibits superior electrocatalytic activity and kinetics towards the oxygen evolution reaction. Moreover, density functional theory calculations indicate that the strong synergistic interactions from heteronuclear paired Ni/Co dual sites lead to the optimization of the electronic structure and the reduced reaction energy barrier. This work provides a promising strategy for the synthesis of high‐efficiency atomically dispersed dual‐site SACs in the field of electrochemical energy storage and conversion.
Surface modification of silk fibroin composite bone scaffold with polydopamine coating to enhance mineralization ability and biological activity for bone tissue engineering
Authors: Peng Caixing , Shu Zhan , Zhang Cencen , Chen Xiuhao , Wang Mengting , Fan Lihong
Published: July 2022

Bone tissue engineering plays an important role in the treatment of bone defects. Finding suitable bone graft substitute scaffolds is still a major challenge. In this study, we combined silk fibroin‐octacalcium phosphate composite with silk fibroin by freeze‐drying technology, and the freeze‐dried scaffolds were further surface‐modified with self‐polymerization by using dopamine. The silk fibroin/octacalcium phosphate/polydopamine composite bone scaffold was successfully constructed. The composition and structure of the scaffolds were examined through Fourier infrared spectroscopy, X‐ray diffraction and scanning electron microscopy. The effects of different concentrations of polydopamine coatings on the porosity, swelling property, hydrophilicity, compressive strength, mineralization ability and biocompatibility of scaffolds were measured. The experimental results showed that the scaffolds had interconnected 3D network structure and polydopamine coating increased the compressive strength of SF scaffolds, delayed the degradation rate of scaffolds and enhanced the apatite deposition rate on the surface of scaffolds. The relative viability of cells increased with the rising of the concentration of coated polydopamine after co‐culture with MC3T3‐E1 cells. The polydopamine coating conferred the scaffolds excellent bioactivity. Therefore, silk fibroin/octacalcium phosphate/polydopamine composite scaffold may provide a new idea for bone tissue engineering.
Co‐assembly behavior of oppositely charged thermoresponsive elastin‐like polypeptide block copolymers
Authors: Choi Jeong‐Wan , Heo Tae‐Young , Choi Heelak , Choi Soo‐Hyung , Won Jong‐In
Published: July 2022

The formation of complex coacervate core micelles (C3Ms) was observed by mixing two oppositely charged elastin‐like polypeptides (ELP)‐based diblock copolymers, each composed of a neutral and a charged moiety. The physical properties of C3Ms as a function of pH, temperature, and salt concentration were analyzed by UV–visible spectrometry, dynamic light scattering (DLS), 1H NMR, and small angle X‐ray scattering (SAXS). In distilled water (or low salt conditions), below the transition temperature (Tt), ELP mixtures induced the C3Ms with a complex coacervate core and a neutral corona; meanwhile, above the Tt, they aggregated by the hydrophobic interaction among the neutral coronas. However, as the salt concentration increased, the induced C3Ms gradually dissociated; while above the critical micellar temperature (CMT) and critical salt concentration (CSC), inverted hydrophobic core micelles surrounded by the charged blocks were created. Based on these results, we demonstrate that the co‐assembly behavior of two oppositely charged diblock ELPs is harnessed by the salt concentration and temperature.
Mobility control capability of a modified chitosan hyperbranched polymer in porous media
Authors: Chen Qingyuan , Ye Zhongbin , Wang Zhouxin , Zhang Shusong , Lai Nanjun
Published: July 2022

The residual resistance factor (RRF) is an important parameter expressing the mobility control capability of the polymer, and it is related to the polymer molecular structure. This study investigated the ability of three polymers with different molecular structures to establish RRF in a one‐dimensional sand pack model at different permeabilities. In addition, the static adsorption capacity of the three polymers on the rock surface was investigated, and the mechanism of the polymer retention in porous media was explored by changing the wettability of the rock surface. Furthermore, the microscopic morphological changes of the polymers before and after passing through the porous media were observed by environmental scanning electron microscopy. Finally, nuclear magnetic resonance core flooding experiments were used to investigate the oil displacement characteristics of the three polymers in the core. T Results show that the ability of the three polymers to establish RRF gradually decreases with the increase in permeability. Still, the modified chitosan hyperbranched polymer (HPDACS) has the best ability to establish RRF in porous media with the largest static adsorption equilibrium amount of 1249 μg/g. Mechanical capture is the dominant mechanism for HPDACS to establish retention in porous media. In addition, HPDACS has a better ability to enhance recovery. It can improve oil recovery by 20.43%, which is higher than that by dendritic polymer HPDA at 16.34% and partially hydrolyzed polyacrylamide at 10.07%. HPDACS can establish a larger resistance in the macropores of the core. Thus, the remaining oil is better driven in the medium and small pores. This finding indicates that HPDACS has excellent potential for oil displacement.
Effect of silica dispersed by special dispersing agents with green strategy on tire rolling resistance and energy consumption
Authors: Zheng Xingfu , Song Shi Kai , Zhou Ziwen , Jiang Xizhou , Sui Yongqiang , Che Mingming , Xu Qi , Wang Yan , Zhao Shuai , Li Lin
Published: July 2022

The state‐of‐art approach to realize the low rolling resistance of green tires is the high addition of SiO2. However, its dispersion capacity and the interface strength with rubber dominant the final properties of green tires. Here, we systematically study amphiphilic polyoxyethylene sorbitan monooleate, oleylamine, sorbitan monooleate, and oleamide to modify SiO2 through simple hydrogen‐bonded self‐assembly in order to replace the traditional silane coupling agent with low modification efficiency, many side reactions and complex reaction process. The results show that the rolling resistance and processing energy loss of the rubber composite prepared by SiO2 modified with polyoxyethylene sorbitan monooleate and oleylamine are significantly reduced, and other physical and mechanical properties (tensile strength, tear strength, and wear resistance) are also significantly improved compared with the silane coupling agent commonly used in green tire tread. Meanwhile, carbon–carbon double bonds belonging to polyoxyethylene sorbitan monooleate and oleylamine can participate in vulcanization of rubber to strongly improve the dispersion ability of SiO2 and the interface interaction between SiO2 and rubber matrix, so as to develop the fuel‐efficient green tire tread with high performance and low rolling resistance.
Porous structure contained polyimide film with enhanced dielectric properties upon high temperature
Authors: Ma Yingyi , He Zian , Liao Ziwei , Han Yuhang , Zhang Junming , Zhu Min
Published: July 2022

The dimensional and property stability after heating is considered to be one of the most important properties for low‐dielectric‐constant materials. Herein, porous structure contained composite PI film with porous PI structure on the surface of a flat PI film was prepared through the simple and low‐cost microemulsion method. The introduction of porous coating can significantly improve the dielectric and water resistance properties of PI film, while maintaining its good mechanical properties. More importantly, the porous structures were well preserved after heating, but with the remove of surfactant layer on the inner surface of the pores, leading to lower dielectric constants with 1.06%–3.50% of reduction and lower dielectric losses less than 0.015 with the maintenance of good water resistance and mechanical properties. Excellent durability of the low dielectric constants and low dielectric losses upon high humidity were also shown for the heated composite PI film. In addition, the morphology and properties of the composite PI film both before and after heating could be controlled through varying the fabrication conditions. These results provide valuable information for the construction of the thermally stable low‐dielectric‐constant material.
Quantitation of navtemadlin in human plasma and brain tissue by liquid chromatography–tandem mass spectrometry
Authors: Kagan Amanda B. , Anders Nicole M. , Hemingway Avelina , Lee Eudocia Q. , Kelly Kevin R. , Lee Hans C. , Xu‐Welliver Meng , Piekarz Richard , Rudek Michelle A.
Published: July 2022

Navtemadlin is an orally bioavailable small molecule that blocks the protein–protein interaction between murine double minute 2 protein (MDM2) and the tumor suppressor protein p53, leading to p53‐mediated cell cycle arrest and apoptosis. It is being evaluated in clinical trials for a variety of malignancies, both as a single agent and in combination regimens. A sensitive, robust LC–tandem mass spectrometry (LC–MS/MS) method was developed to quantitate navtemadlin in plasma, and this method was also validated using brain tissue homogenate. Sample preparation involved protein precipitation of plasma or brain tissue homogenate using acetonitrile. Navtemadlin, navtemadlin glucuronide, and the internal standard, D6‐navtemadlin, were separated from microsomal incubation extracts using gradient elution and a ZORBAX XDB C18 column. Analytes were detected using a SCIEX 5500 triple quadrupole mass spectrometer in positive electrospray ionization mode. The assay range of 1–1000 ng/mL was shown to be accurate (96.1–102.0% and 95.7–104%) and precise (coefficient of variation ≤ 10.6% and ≤ 6.6%) in plasma and brain tissue homogenate, respectively. An 8000 ng/mL navtemadlin sample diluted 1:10 (v/v) with plasma was also accurately quantitated. Navtemadlin has been stable in frozen plasma at −70°C for at least 20 months. This validated LC–MS/MS method was applied to determine navtemadlin concentrations in plasma and brain tissue samples from two separate patients receiving 120 mg/day navtemadlin on protocol ABTC1604.
Zn‐Nx Doping in Carbon Nanotubes Boosts Selective CO2 Electroreduction to CO
Authors: Gao Lijun , Bai Silin , Zhang Yating , Hu Chao
Published: July 2022

Electroreduction of CO2 to CO is attractive target to store energy from intermittent sources, as it requires the transfer of only two electrons and two protons. Metal‐based catalysts (Au, Ag, Ni, Fe, etc.), especially metal‐ and N‐co‐doped carbon materials have been proven to show high selectivity for CO production. However, for Zn‐based catalysts, the critical active site is still intensely debated. Herein, we synthesize a series of carbon nanotube‐supported Zn‐based catalysts with a tunable ratio of isolated ZnNx sites and Zn‐based nanoparticles. We identify ZnNx moieties anchored on the surface of carbon nanotubes are catalytically highly active for the selective CO2 electroreduction to CO, with the Faradaic efficiency (FE) as high as 97.3 %. In contrast, N‐doped carbon nanotubes (NCNTs) and Zn‐containing nanoparticles supported on NCNTs exhibit inferior selectivity with the CO FEs of 56.7 % and 72.9 %, respectively, suggesting that Zn doping in carbon and the existing forms are of significant importance for improving the ability of Zn‐based catalysts for electrocatalytic reduction of CO2.
Rutile TiO2 Production: Optimization of Microwave Calcination of Metatitanic Acid Using Response Surface Methodology
Authors: Bao Rui , Liu Bingguo , Zhang Ting , Wu Bangjian , Dong Enhua , Yuwen Chao
Published: July 2022

Rutile TiO2 was prepared by microwave calcination of metatitanic acid. A quadratic regression model for the conversion to rutile TiO2 was developed by response surface methodology (RSM), to investigate the effects of the calcination temperature, the calcination time, the sample mass, and their interactions on the conversion rates. Within the scope of the experiments, only the calcination temperature and time had significant effects on the rutile TiO2 conversion. Under the optimized conditions (866 °C, 61 min, 58 g), the predicted rutile TiO2 conversion was 99.91 %, approaching the actual conversion (99.44 %). Thus, the optimization by RSM of microwave calcination of metatitanic acid for the preparation of rutile TiO2 is a feasible approach to achieving a more efficient TiO2 production process.
Voltammetric Study of Lomefloxacin Transfer at the Interface between Two Immiscible Electrolyte Solutions: Ionic Partition, Photodegradation, and Sensing Applications
Authors: Salman Muhammad , Lee Sang Hyuk , Jeshycka Shinta , Lee Ji Soo , Lee Hye Won , Lee Hye Jin
Published: July 2022

The transfer of ionizable lomefloxacin (LOM) across a polarized interface between two immiscible electrolyte solutions (ITIES) was studied using cyclic and differential pulse voltammetry (DPV). The pH values of water (ionic strength=0.02 M) interfacing with the 1,2‐dichloroethane phase were varied to investigate the transfer behavior of differently charged LOM species, including protonated, neutral, and zwitterionic forms of LOM, namely HLOM+, LOM0, and H+LOM−. An ionic partition diagram for LOM was drawn with DPV response at various pH values, and the distinctive features of LOM were compared to those of fluoroquinolone antibiotics, which have similar pKa values. Physical and thermodynamic properties, including the formal transfer potential, lipophilicity, and Gibbs free energy of transfer of LOM were also evaluated. Furthermore, the photodegradation properties of differently charged LOM species and ophthalmic LOM drop samples (pH 5.0) were investigated after exposure to a UV (λ=365 nm) source. Quantitative analysis of HLOM+ concentrations in buffer and diluted commercial eye drop solutions containing LOM was finally demonstrated using differential pulse stripping voltammetric responses at pH 3.0 and 5.0 involving the transfer of HLOM+ at a polarized microhole‐water/polyvinylchloride‐2‐nitropheyloctylether gel interface.
Statistical inference from finite population samples: A critical review of frequentist and Bayesian approaches
Authors: Beaumont Jean‐François , Haziza David
Published: July 2022

In survey sampling, data are obtained on a subset of a finite population by probability or nonprobability sampling procedures. These data are used to compute point estimates of finite population parameters along with their associated variance estimates and confidence intervals. Methods to conduct inferences and evaluate the properties of sampling and estimation procedures have been the subject of discussion and debate in the second half of the 20th century. In this article, we propose a critical review of three inferential approaches in a finite population context: the design‐based approach, the frequentist model‐based approach, and the Bayesian approach.
Use of community engagement interventions to improve child immunisation in low‐ and middle‐income countries: A systematic review and meta‐analysis
Authors: Jain Monica , Shisler Shannon , Lane Charlotte , Bagai Avantika , Brown Elizabeth , Engelbert Mark , Vardy Yoav , Eyers John , Leon Daniela Anda , Parsekar Shradha S.
Published: July 2022

Immunisation is one of the most cost‐effective interventions to prevent and control life‐threatening infectious diseases. Nonetheless, rates of routine vaccination of children in low‐ and middle‐income countries (LMICs) are strikingly low or stagnant. In 2019, an estimated 19.7 million infants did not receive routine immunisations. Community engagement interventions are increasingly being emphasised in international and national policy frameworks as a means to improve immunisation coverage and reach marginalised communities. This systematic review examines the effectiveness and cost‐effectiveness of community engagement interventions on outcomes related to childhood immunisation in LMICs and identifies contextual, design and implementation features that may be associated with effectiveness. We identified 61 quantitative and mixed methods impact evaluations and 47 associated qualitative studies related to community engagement interventions for inclusion in the reteview. For cost‐effectiveness analysis 14 of the 61 studies had the needed combination of cost and effectiveness data. The 61 included impact evaluations were concentrated in South Asia and Sub‐Saharan Africa and spread across 19 LMICs. The review found that community engagement interventions had a small but significant, positive effect on all primary immunisation outcomes related to coverage and their timeliness. The findings are robust to exclusion of studies assessed as high risk of bias. Qualitative evidence indicates appropriate intervention design, including building in community engagement features; addressing common contextual barriers of immunisation and leveraging facilitators; and accounting for existing implementation constraints and practicalities on the ground are consistently cited as reasons for intervention success. Among the studies for which we were able to calculate cost‐effectiveness, we find that the median non‐vaccine cost per dose of intervention to increase immunisation coverage by 1% was US $3.68. Given the broad scope of the review in terms of interventions and outcomes, there is significant variation in findings. Among the various types of community engagement interventions, those that involve creation of community buy‐in or development of new cadres of community‐based structures were found to have consistent positive effect on more primary vaccination coverage outcomes than if the engagement is limited to the design or delivery of an intervention or is a combination of the various types. The evidence base for sub‐group analysis for female children was sparse (only two studies) and the effect on coverage of both full immunisation and third dose of diphtheria pertussis tetanus for this group was insignificant.
The Evaluation of l‐Tryptophan Derivatives as Inhibitors of the l‐Type Amino Acid Transporter LAT1 (SLC7A5)
Authors: Graff Julien , Müller Jennifer , Sadurní Anna , Rubin Matthias , Canivete Cuissa Inês André , Keller Claudia , Hartmann Marco , Singer Simon , Gertsch Jürg , Altmann Karl‐Heinz
Published: July 2022

A series of derivatives of the substrate amino acid l‐tryptophan have been investigated for inhibition of the L‐type amino acid transporter LAT1 (SLC7A5), which is an emerging target in anticancer drug discovery. Of the four isomeric 4‐, 5‐, 6‐, or 7‐benzyloxy‐l‐tryptophans, the 5‐substituted derivative was the most potent, with an IC50 of 19 μM for inhibition of [3H]‐l‐leucine uptake into HT‐29 human colon carcinoma cells. The replacement of the carboxy group in 5‐benzyloxy‐l‐tryptophan by a bioisosteric tetrazole moiety led to a complete loss in potency. Likewise, the corresponding tetrazolide derived from l‐tryptophan itself was found to be neither a substrate nor an inhibitor of the transporter. Increasing the steric bulk at the 5‐position, while reasonably well tolerated in some cases, did not result in an improvement in potency. At the same time, none of these derivatives was found to be a substrate for LAT1‐mediated transport.
Clickable Selenylation – a Paradigm for Seleno‐Medicinal Chemistry
Authors: Hou Wei , Dong Hewei , Yao Ying , Pan Kangyin , Yang Guang , Ma Peixiang , Xu Hongtao
Published: July 2022

Selenium (Se) is an emerging versatile player in medicinal chemistry. The incorporation of Se into small molecules and natural products could have multiple benefits. However, the lack of efficient methods for the synthesis of Se‐containing chemical library has greatly hindered the development of seleno‐medicinal chemistry. With the aim to address this issue, we proposed the development of “clickable selenylation” reactions, which can be used in the synthesis of Se‐containing in situ library and DNA‐encoded library (SeDEL), thereby quickly producing ultra‐large collections of Se‐containing compounds and boosting the development of seleno‐medicinal chemistry. This research paradigm can be concluded as “clickable selenylation chemistry development→in situ library construction/SeDEL synthesis→phenotype‐ or target‐based screening→seleno‐hit compound”.
NSGA‐II‐XGB: Meta‐heuristic feature selection with XGBoost framework for diabetes prediction
Authors: Gupta Aditya , Rajput Ishwari Singh , Gunjan  , Jain Vibha , Chaurasia Soni
Published: July 2022

Diabetes is one of the most prevalent causes of casualties in the modern world. Early diagnosis of diabetes is the most promising way for increasing the chances of patients' survival. The ever‐growing technology of the current era, machine learning‐based algorithms pave the door in the healthcare industry by delivering efficient decision support services in real‐time. However, high‐dimensionality of the data obtained using multiple sources increases the computation time and significantly impacts the models' efficiency in classifying the results. Feature selection improves learning performance and reduces the computational cost by selecting subsets of features and eliminating unnecessary and irrelevant features. In this article, an attempt has been made to develop a hybrid machine learning model based on non‐dominated sorting genetic algorithm (NSGA‐II) and ensemble learning for the efficient categorization of diabetes. The proposed work uses various data preprocessing techniques, such as missing data handling and normalization, prior to model training. The most prominent and salient features are selected by exploiting the potential of the NSGA‐II in the diabetes dataset. Finally, an ensemble learning‐based extreme gradient boosting (XGBoost) model is modeled using features selected by NSGA‐II to classify patients as diabetic or non‐diabetic. The proposed methodology is experimentally validated using a hybridized dataset comprising 23 features, with 1288 instances of both male and female patients between the ages of 21 and 65. In addition, for performance evaluation, the results of statistical parameters are compared with several state‐of‐the‐art decision‐making models in the current domain. Experiment findings exemplify that the proposed NSGA‐II‐XGB approach gives better classification results with an average accuracy of 98.86%. Furthermore, the statistical results of specificity (88.6%), sensitivity (96.36%), and F‐score (97.84%) also support the utility of the proposed methodology in the early diagnosis of diabetes.
Molecular Electrides: An In Silico Perspective
Authors: Saha Ranajit , Das Prasenjit , Chattaraj Pratim Kumar
Published: July 2022

Electrides are defined as the ionic compounds where the electron(s) serves as an anion. These electron(s) is (are) not bound to any atoms, bonds, or molecules but are rather localized into the space, crystal voids, or interlayer between two molecular slabs. There are three major categories of electrides, known as organic electrides, inorganic electrides, and molecular electrides. The computational techniques have proven as a great tool to provide emphasis on the electride materials. In this review, we have focused on the computational methodologies and criteria that help to characterize molecular electrides. A detailed account of the computational methods and basis sets applicable for molecular electrides have been discussed along with their limitations in this field. The main criterion for the identification of the electrides has also been discussed thoroughly with proper examples. The molecular electrides presented here have been justified with all the required criteria that support and proved their electride characteristics. We have also presented few systems which have similar properties but are not considered as molecular electrides. Moreover, the applicability of the electrides in catalytic processes have also been presented.
Structural, Photophysical, and Water Sensing Properties of Pyrazolo[1,5‐a]pyrimidine‐Triphenylamine Hybrid Systems
Authors: Tigreros Alexis , Macías Mario , Portilla Jaime
Published: July 2022

Thermal, structural, and photophysical properties of five pyrazolo[1,5‐a]pyrimidine‐triphenylamine hybrid systems substituted at position 3 of the fused ring were studied (probe/R: D1/H, D2/I, D3/CCSiMe3, D4/CHO, D5/CN). The solvatofluorochromism of D4 and D5 showed that the solvent dipolarity (SdP) is mainly responsible for their spectral changes, which arose from an internal charge transfer (ICT) from the triphenylamine (TPA) group to the acceptor substituent at position 3. As a result, D5 was applied for the detection of water in organic solvents (i. e., AcOEt and THF); this probe also exhibited an intense light emission in the solid‐state at 530 nm (ϕ=0.60). The five compound structures were solved and analyzed by X‐ray crystallography (XRC), with a link found between their structural characteristics and their physicochemical properties. For example, although all the probes exhibited good thermostabilities, this property decreased in D3 and was explained by frontier molecular orbital calculations based on the XRC results. Crystallographic studies were also used to interpret the differences in solid‐phase emission intensities in D1–D4 versus D5.
Computer‐Assisted Design of Sustainable Syntheses of Pharmaceuticals and Agrochemicals from Industrial Wastes
Authors: Le Pogam Pierre , Papon Nicolas , Beniddir Mehdi A. , Courdavault Vincent
Published: July 2022

Computer‐based strategies vastly enhanced the field of analytical chemistry. The impact of data‐driven technologies in shaping organic chemistry strategies long remained comparatively elusive but various tools recently emerged to computationally plan multistep organic syntheses. A recent study elegantly takes benefit of an in‐house library of chemical reactions enriched with various metadata to provide numerous, reliable and realistic organic chemistry workflows to structurally‐varied drugs of interest, from locally available industrial by‐products. The retrieval of the different synthetic pathways and a scoring based on different features, especially comprising sustainability considerations, are also proposed.
Analysis and implementation of an isolated high step‐down converter with interleaved output for low voltage applications
Authors: Sani Sajad Ghabeli , Banaei Mohamad Reza , Hosseini Seyed Hossein
Published: July 2022

This paper proposes a new isolated high step‐down dc‐dc converter with a more extensive output range and high efficiency. The interleaved output and ZVS‐ZCS switching for all semiconductors have made the converter appropriate for high output current applications. An auxiliary inductor is used to achieve the ZVS (zero‐voltage switching) and ZVZCS (zero‐voltage zero‐current switching) condition, which charges and discharges the parallel snubber capacitors of the power switches at different modes of operation. Therefore, the switching losses of semiconductor components are reduced significantly, which results in enhanced efficiency. Moreover, the connection of an auxiliary capacitor in series with the transformer has prevented the probability of DC‐current saturation. The proposed converter could be controlled with duty‐cycle or switching frequency variations. However, the output voltage control with the switching frequency variations gives an extended range of output voltage compared with the other presented converters. Moreover, a coupled inductor is used to relate the output gain with the turn ratios, which causes a more extensive range for output voltage gain. Finally, the theoretical analysis is given and is compared with a 140 W experimental prototype, which converts a higher input voltage 300v to 7.5 V of the output voltage.
Oscillating droplet tribometer for sensitive and reliable wetting characterization of superhydrophobic surfaces
Authors: Junaid Muhammad , Nurmi Heikki A. , Latikka Mika , Vuckovac Maja , Ras Robin H. A.
Published: July 2022

Accurate wetting characterization is crucial for the development of next‐generation superhydrophobic surfaces. Traditionally, wetting properties are measured with a contact angle goniometer (CAG) suitable for a broad range of surfaces. However, due to optical errors and challenges in baseline positioning, the CAG method suffers from inaccuracies on superhydrophobic surfaces. Here we present an improved version of the oscillating droplet tribometer (ODT), which can reliably assess wetting properties on superhydrophobic surfaces by measuring the frictional forces of a water‐based ferrofluid droplet oscillating in a magnetic field. We demonstrate that ODT has superior accuracy compared to CAG by measuring the wetting properties of four different superhydrophobic surfaces (commercial Glaco and Hydrobead coatings, black silicon coated with fluoropolymer, and nanostructured copper modified with lauric acid). We show that ODT can detect the small but significant changes in wetting properties caused by the thermal restructuring of surfaces that are undetectable by CAG. Even more, unlike any other wetting characterization technique, ODT features an inverse sensitivity: the more repellent the surface, the lower the error of measurement, which was demonstrated by experiments and simulations.
Increasing tree density accelerates stand‐level nitrogen cycling at the taiga–tundra ecotone in northeastern Siberia
Authors: Hewitt Rebecca E. , Alexander Heather D. , Izbicki Brian , Loranty Michael M. , Natali Susan M. , Walker Xanthe J. , Mack Michelle C.
Published: July 2022

As climate warms, tree density at the taiga–tundra ecotone (TTE) is expected to increase, which may intensify competition for belowground resources in this nitrogen (N)‐limited environment. To determine the impacts of increased tree density on N cycling and productivity, we examined edaphic properties indicative of soil N availability along with aboveground and belowground tree‐level traits and stand characteristics related to carbon (C) and N cycling across a tree density gradient of monodominant larch (Larix cajanderi) at the TTE in far northeastern Siberia. We found no consistent evidence from soil, tree, or stand‐level N cycling characteristics of lower N availability or greater intraspecific competition for N with increased density. Active layer thickness declined, but resin‐sorbed N and soil organic layer thickness did not covary with increased tree density. There was, however, greater allocation belowground to stand‐level coarse and fine roots with increased tree density, an allocation pattern suggestive of limited soil resources. Foliar traits related to C (%C, δ13C, and resorption) were responsive to density indicating the importance of non‐nutrient resources, like light, to foliar stoichiometry. As tree density increased and individual trees had lower productivity, tree‐level N and biomass pools aboveground and belowground declined tracking decreases in N uptake, N resorption, N use efficiency, and allocation to slow cycling tissues like wood. At the stand level, our findings show high N turnover with increased N acquisition, allocation to short‐lived tissues with relatively high N content and reduced N residence time, and greater stand productivity as tree density increased. Yet, these positive relationships were curtailed at the highest tree densities. Our observations of shifts in biomass, C and N allocation, and loss aboveground, along with greater root density with increased tree density, could have strong impacts on C and N cycling and should be represented in models of TTE dynamics and feedbacks to climate.
Implications of habitat‐driven survival and dispersal on recruitment in a spatially structured piping plover population
Authors: Swift Rose J. , Anteau Michael J. , Ellis Kristen S. , Ring Megan M. , Sherfy Mark H. , Toy Dustin L. , Koons David N.
Published: July 2022

Natal survival and dispersal have important consequences for populations through the movement of genes and individuals. Metapopulation theory predicts either balanced natal dispersal among regions or source–sink dynamics, which can dramatically change population structure. For species reliant on dynamic, early‐successional habitats, availability and location of habitat will shift from year to year, requiring primiparous individuals to locate an appropriate breeding habitat. We estimated hatch‐year survival to adulthood and natal dispersal rates between two breeding groups of Northern Great Plains piping plovers (Charadrius melodus) from four cohorts (n = 2669 total individuals; 2014–2017). Hatch‐year survival to adulthood was slightly higher for individuals hatched on the Missouri River than on the US Alkali Wetlands but declined over time. Individuals hatched on the US Alkali Wetlands were more likely to disperse to breed on the Missouri River (0.33 [0.20, 0.48]) than vice versa (0.17 [0.11, 0.24]). When more habitat was available at the natal site than in the prior year, natal dispersal rates increased. However, despite higher recruitment rates as a result of higher natal fidelity, the Missouri River showed lower total recruitment with a declining trend in the number of recruits, largely due to differences in abundance between breeding groups. Overall, unbalanced, high natal dispersal rates within the Northern Great Plains indicate high connectivity among distinct regions with different water regimes on the Missouri River and on the US Alkali Wetlands driven by fluctuating availability of habitat. Our results suggest that plovers in the Northern Great Plains take advantage of dynamic habitats where they are available in a broad geographic area, which is consistent with a spatially structured panmictic population rather than a true metapopulation, but further research on adult breeding dispersal is needed to clarify population structure.
Copper‐Catalyzed Synthesis of O/N‐Alkyl S‐Phenyl Phenylcarbamothioates: An Odorless and Chemo‐selective Chan–Lam Reaction to Construct C−S Bond
Authors: Wu Yu−Xi , Wang Xi , Li Jing‐Hang , Xiao Hua‐Qing , Dong Zhi‐Bing
Published: July 2022

A simple and efficient synthetic method to C−S bonds was established based on the Chan–Lam reaction. A series of O/N‐alkyl S‐phenyl phenylcarbamothioates were obtained in good yields by using odorless O/N‐alkyl phenylthiocarbamates as sulfur sources and commercially available phenylboronic acids as substrates catalyzed by Cu(OAc)2. This methodology features simple performance, odorless sulfur source, easily available starting material, good functional group tolerance, and high chemo‐selectivity to construct C−S bonds, thereby providing an alternative way to the synthesis of potentially bioactive compounds.