bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing All‐Inorganic EuO‐Sensitized TiO2 Solar Cell from 4f‐3d Composite Bandgap Structure
Authors: Wang Qian , Zhu Wenxuan , Pan Feng , Song Cheng
Published: August 2021

TiO2 dye‐sensitized solar cells (DSSCs) have blazed a new trail out of traditional silicon‐based photovoltaics. However, extensive applications of DSSCs are limited by the use of organic photosensitizers and liquid electrolytes, which raises strict requirements on dye synthesis and cell encapsulation. Considering the electron‐donating tendency and optical activity of Eu2+, EuO semiconductor is chosen as inorganic substitution of organic dyes based on Eu2+↔Eu3+ redox transition. Through first‐principle calculations, 4f‐3d composite bandgap is found in TiO2/EuO heterostructure, reducing the bandgap of pure TiO2 from 3.2 to 0.99 eV. This energy corresponds to near‐infrared photon and thus covers the whole range of visible light, which will significantly enhance the light‐absorption efficiency of TiO2. Similar electronic feature also appears in ATiO3 (A = Sr, Ba)/EuO interfaces. The bandgap value is critically dependent on bonding type and geometry structure of TiO6 octahedra at the interface. On this basis, all‐inorganic EuO‐sensitized TiO2 solar cell is theoretically designed, where EuO serves as photosensitizer to replace dye molecules and inject electrons into TiO2 anode under light excitation. This finding not only provides prospect for all‐inorganic DSSCs, but also sheds light on high‐efficiency TiO2‐based photocatalysis and EuO‐relevant spintronics with rich interfacial physics.
Vitrification and Nanowarming of Kidneys
Authors: Sharma Anirudh , Rao Joseph Sushil , Han Zonghu , Gangwar Lakshya , Namsrai Baterdene , Gao Zhe , Ring Hattie L. , Magnuson Elliott , Etheridge Michael , Wowk Brian , Fahy Gregory M. , Garwood Michael , Finger Erik B. , Bischof John C.
Published: August 2021

Vitrification can dramatically increase the storage of viable biomaterials in the cryogenic state for years. Unfortunately, vitrified systems ≥3 mL like large tissues and organs, cannot currently be rewarmed sufficiently rapidly or uniformly by convective approaches to avoid ice crystallization or cracking failures. A new volumetric rewarming technology entitled “nanowarming” addresses this problem by using radiofrequency excited iron oxide nanoparticles to rewarm vitrified systems rapidly and uniformly. Here, for the first time, successful recovery of a rat kidney from the vitrified state using nanowarming, is shown. First, kidneys are perfused via the renal artery with a cryoprotective cocktail (CPA) and silica‐coated iron oxide nanoparticles (sIONPs). After cooling at −40 °C min−1 in a controlled rate freezer, microcomputed tomography (µCT) imaging is used to verify the distribution of the sIONPs and the vitrified state of the kidneys. By applying a radiofrequency field to excite the distributed sIONPs, the vitrified kidneys are nanowarmed at a mean rate of 63.7 °C min−1. Experiments and modeling show the avoidance of both ice crystallization and cracking during these processes. Histology and confocal imaging show that nanowarmed kidneys are dramatically better than convective rewarming controls. This work suggests that kidney nanowarming holds tremendous promise for transplantation.
Indium‐Gallium‐Zinc‐Oxide Based Photoelectric Neuromorphic Transistors for Modulable Photoexcited Corneal Nociceptor Emulation
Authors: Ke Shuo , He Yongli , Zhu Li , Jiang Zihan , Mao Huiwu , Zhu Yixin , Wan Changjin , Wan Qing
Published: August 2021

Photoexcited corneal nociceptor (PCN) can recognize the noxious light stimulus and generate/transmit pain signals to the central nervous system, enabling the early‐warning and/or risk avoidance for the individual. Futhermore, central pain‐modulation can enhance pain or relieve pain, which greatly assists human adaptation to environments. Emulation of PCN and central pain‐modulation by neuromorphic devices will greatly improve the intelligence and adaptation of humanoid robots and artificial eyes in the real world. Here, amorphous indium‐gallium‐zinc‐oxide (a‐IGZO) based photoelectric neuromorphic transistors are fabricated with chitosan/graphene oxide nanocomposite electrolyte membranes as the gate dielectrics as well as the mechanical supports. PCN characteristics, including threshold, no‐adaptation, relaxation, allodynia and hyperalgesia, can be mimicked by the device and are attributed to the persistent photoconductivity performance of the IGZO channel. More importantly, central pain‐modulation containing central sensitization and analgesic effect is also successfully emulated by optoelectronic synergistic modulation. The results provide an important step toward to endow humanoid robots with visual intelligence and propel the development of neuromorphic perceptual systems.
Deciphering the Effect of Electrical Conductivity of Hosts on Lithium Deposition in Composite Lithium Metal Anodes
Authors: Zhan Ying‐Xin , Shi Peng , Zhang Rui , Zhang Xue‐Qiang , Shen Xin , Jin Cheng‐Bin , Li Bo‐Quan , Huang Jia‐Qi
Published: August 2021

Lithium metal anodes demonstrate inferior cycling stability due to uncontrolled Li deposition and large volume fluctuation. Composite Li metal anodes with a 3D host show stable Li deposition. Nevertheless, the advantages of a host are achieved by the joint effect of various parameters. The effect of a single parameter of a host on Li deposition is veiled, hindering the rational design of a host. Herein, a decoupling method is demonstrated to decipher the effect of host electrical conductivity, a vital parameter, on the behaviors of Li deposition. In order to decouple the effect of host electrical conductivity, a conductive host is modulated by in situ formation of a polymer coating while maintaining the other parameters unchanged. The host electrical conductivity dictates the distribution of electric potential in the vicinity of the host, then the transport of Li ions, and finally behaviors of Li deposition. The cycling performance of the host with high electrical conductivity outperforms that with low electrical conductivity. This work initiates a decoupling methodology to probe the effect of host properties on the behaviors of Li deposition, and provides guidance for the rational design of Li metal anode host materials.
Scalable synthesis of ytterbium and erbium codoped calcium molybdate phosphors as upconversion luminescent thermometer
Authors: Liu Jun , Jiao Yiran , Pu Yuan , Wang Jie‐Xin , Wang Dan
Published: August 2021

Luminescent thermometry is a noninvasive method of temperature detection with high sensitivity and response speed. The present study demonstrated the process‐intensified synthesis of ytterbium and erbium codoped calcium molybdate phosphors (CaMoO4:Yb3+/Er3+). The experiment involved the initial premixing of the precursors using a high‐gravity rotating packed bed (RPB) reactor and subsequent calcination processing. The pronounced mass transfer and micromixing of the reactants in the RPB facilitated the scalable and controllable synthesis of CaMoO4:Yb3+/Er3+ particles with submicron sizes and regular morphologies. The CaMoO4:Yb3+/Er3+ particles exhibited a bright‐green emission with temperature‐dependent luminescence characteristics under 980 nm laser irradiation. Furthermore, the maximum absolute sensitivity was determined to be 0.02837 K−1. These results indicated that the synthesized product was a suitable candidate for application in upconversion luminescent thermometers capable of temperature sensing at the microscale.
The Ratón Pérez collection: Modern deciduous human teeth at the Centro Nacional de Investigación sobre la Evolución Humana (Burgos, Spain)
Authors: Martínez de Pinillos Marina , Pantoja‐Pérez Ana , Fernández‐Colón Pilar , Martín‐Francés Laura , García‐Campos Cecilia , Modesto‐Mata Mario , Moreno‐Torres Chitina , Bermúdez de Castro José María , Martinón‐Torres María
Published: August 2021

Objectives

The aim of this report is to present the large deciduous tooth collection of identified children that is housed at the National Research Center on Human Evolution (CENIEH) in Burgos, Spain.

Methods

Yearly, members of the Dental Anthropology Group of the CENIEH are in charge of collecting the teeth and registering all the relevant information from the donors at the time of collection. In compliance with Spanish Law 14/2007 of July 3, 2007, on Biomedical Research (BOE‐A‐2007‐12945), all individuals are guaranteed anonymity and confidentiality. When the donor hands in the tooth, they fill out a Donor Information Form and sign the Informed Consent Form. At the same time, another person completes the data label for the transparent polyethylene zip lock bag where the tooth is temporarily stored. All teeth are then transferred to the CENIEH Restoration lab, where the specialists apply the same protocol as for the fossil remains.

Results

Although the sample is still growing, from the first collection campaign in 2014 to date it comprises 2977 teeth of children whose ages of tooth loss are between 2 and 15 years. Each tooth is associated with basic information of the individuals and their parents and grandparents (sex, date, and place of birth, ancestry, country of residence), as well as important data about early life history (pregnancy duration, breastfeeding, bottle‐feeding) and other relevant information provided by the donors (such as if they are twins, dental loss, or dental extraction).

Conclusions

Due to the scarcity of deciduous dental samples available, the Ratón Pérez collection represents a highly valuable sample for a wide range of disciplines such as forensic, dental, and anthropological fields among others.
Rotavirus Binding to Cell Surface Receptors Directly Recruiting α2 Integrin
Authors: Yang Jinsung , Park Jeongsoo , Koehler Melanie , Simpson Joshua , Luque Daniel , Rodríguez Javier M. , Alsteens David
Published: August 2021

Rotavirus interactions with endogenous cell surface receptors are of fundamental interest in virology and medicine; however, the evidence of rotavirus directly binding to the receptors and the consequent dynamic behaviors are still elusive. Force–distance curve‐based atomic force microscopy allows for the extraction of biophysical properties underlying binding of single virions to receptors and clarification of the dynamics of rotavirus–receptor interactions. Unfortunately, this method is time‐consuming due to the lack of automation when analyzing large data sets. Herein, rotavirus–receptor interactions and early endocytosis behaviors using automated high‐throughput analysis are examined. It is demonstrated that rotavirus binds to α‐linked sialic acid and α2β1 integrin. The effect of trypsinization is investigated on the capsid protein VP4 binding to the receptors. Using fluidic force microscopy, it is demonstrated that the interaction leads to α2 integrin recruitment to the cell‐bound rotavirus on the plasma membrane. Further, it is illustrated that an integrin‐derived peptide can impede binding and alter downstream dynamics. Taken together, these results open a new understanding of the infection mechanism of rotavirus and suggest a novel inhibitory peptide against rotavirus binding.
In‐Situ Encapsulation of Protein into Nanoscale Hydrogen‐Bonded Organic Frameworks for Intracellular Biocatalysis
Authors: Tang Jiakang , Liu Ji , Zheng Qizhen , Li Wenting , Sheng Jinhan , Mao Lanqun , Wang Ming
Published: August 2021

Hydrogen‐bonded organic frameworks (HOFs) are porous materials with great potential for biological applications. The self‐assembly of HOFs and biomacromolecules, however, is challenging. We report herein the self‐assembly of nanoscale HOFs (nHOFs) to encapsulate protein for intracellular biocatalysis. The self‐assembly of tetrakis(4‐amidiniumphenyl)methane and azobenzenedicarboxylate can encapsulate protein in situ to form protein@nHOFs under mild conditions. This strategy is applicable to proteins with different surface charge and molecular weight, showing a high protein encapsulation efficiency and minimal effect on protein activity. A cellular delivery study shows that the protein@TA‐HOFs can efficiently enter cells and retain enzyme activity for biochemical catalysis in living cells for neuroprotection. Our strategy paves new avenues for interfacing nHOFs with biological settings and sheds light on expanding nHOFs as a platform for biomacromolecule delivery and disease treatment.
A Tale of Two Isomers: Enhanced Antiaromaticity/Diradical Character versus Deleterious Ring‐Opening of Benzofuran‐fused s‐Indacenes and Dicyclopenta[b,g]naphthalenes
Authors: Barker Joshua E. , Price Tavis W. , Karas Lucas J. , Kishi Ryohei , MacMillan Samantha N. , Zakharov Lev N. , Gómez‐García Carlos J. , Wu Judy I. , Nakano Masayoshi , Haley Michael M.
Published: August 2021

We examine the effects of fusing two benzofurans to s‐indacene (indacenodibenzofurans, IDBFs) and dicyclopenta[b,g]naphthalene (indenoindenodibenzofurans, IIDBFs) to control the strong antiaromaticity and diradical character of these core units. Synthesis via 3‐functionalized benzofuran yields syn‐IDBF and syn‐IIDBF. syn‐IDBF possesses a high degree of paratropicity, exceeding that of the parent hydrocarbon, which in turn results in strong diradical character for syn‐IIDBF. In the case of the anti‐isomers, synthesized via 2‐substituted benzofurans, these effects are decreased; however, both derivatives undergo an unexpected ring‐opening reaction during the final dearomatization step. All the results are compared to the benzothiophene‐fused analogues and show that the increased electronegativity of oxygen in the syn‐fused derivatives leads to enhancement of the antiaromatic core causing greater paratropicity. For syn‐IIDBF increased diradical character results from rearomati‐zation of the core naphthalene unit in order to relieve this paratropicity.
Influence of Intracrystalline Ionic Strength in MFI Zeolites on Aqueous Phase Dehydration of Methylcyclohexanols
Authors: Milaković Lara , Hintermeier Peter H. , Liu Yue , Baráth Eszter , Lercher Johannes A.
Published: August 2021

The impact of the concentration of hydrated hydronium ions and in turn of the local ionic strength in MFI zeolites has been investigated for the aqueous phase dehydration of 4‐methylcyclohexanol (E1 mechanism) and cis‐2‐methylcyclohexanol (E2 mechanism). The E2 pathway with the latter alcohol led to a 2.5‐fold higher activity. The catalytic activity normalized to the hydronium ions (turnover frequency, TOF) passed through a pronounced maximum, which is attributed to the increasing excess chemical potential of the alcohols in the pores, increasing in parallel with the ionic strength and the additional work caused by repulsive interactions and charge separation induced by the bulky alcohols. While the maximum in rate observed is invariant with the mechanism or substitution, the reaction pathway is influencing the activation parameters differently.
Interpenetration Symmetry Control Within Ultramicroporous Robust Boron Cluster Hybrid MOFs for Benchmark Purification of Acetylene from Carbon Dioxide
Authors: Wang Lingyao , Sun Wanqi , Zhang Yuanbin , Xu Nuo , Krishna Rajamani , Hu Jianbo , Jiang Yunjia , He Yabing , Xing Huabin
Published: August 2021

The separation of C2H2/CO2is an important process in industry but challenged by the trade‐off of capacity and selectivity owning to their similar physical properties and identical kinetic molecular size. We report the first example of symmetrically interpenetrated dodecaborate pillared MOF, ZNU‐1, for benchmark selective separation of C2H2from CO2with a high C2H2capacity of 76.3 cm3 g−1and record C2H2/CO2selectivity of 56.6 (298 K, 1 bar) among all the robust porous materials without open metal sites. Single crystal structure analysis and modeling indicated that the interpenetration shifting from asymmetric to symmetric mode provided optimal pore chemistry with ideal synergistic “2+2” dihydrogen bonding sites for tight C2H2trapping. The exceptional separation performance was further evidenced by simulated and experimental breakthroughs with excellent recyclability and high productivity (2.4 mol kg−1) of 99.5 % purity C2H2during stepped desorption process.
Eine Familie von Heterobimetallischen Würfeln zeigt Spin‐Crossover‐Verhalten nahe Raumtemperatur
Authors: Hardy Matthias , Tessarolo Jacopo , Holstein Julian J. , Struch Niklas , Wagner Norbert , Weisbarth Ralf , Engeser Marianne , Beck Johannes , Horiuchi Shinnosuke , Clever Guido H. , Lützen Arne
Published: August 2021

Durch die Verwendung von 4‐(4′‐Pyridyl)anilin als einfachen organischen Baustein in Kombination mit drei verschiedenen Aldehydkomponenten und Metall(II)salzen wurden drei verschiedene Fe8Pt6‐Würfel und ihre entsprechenden Zn8Pt6‐Analoga mit Hilfe des Subkomponenten Selbstorganisationsansatzes hergestellt. Während die Verwendung von Zink(II)‐Salzen zu diamagnetischen Käfigen führte, ergaben Eisen(II)‐Salze metallosupramolekulare Käfige, die in Lösung Spin‐Crossover‐Verhalten zeigen. Die Spin‐Übergangstemperatur T1/2 hängt von der verwendeten Aldehydkomponente ab, wodurch sich ein Baukasten für die gezielte Synthese von Spin‐Crossover‐Verbindungen mit maßgeschneiderten Übergangseigenschaften ergibt. Der Einbau von 4‐Thiazolcarbaldehyd oder N‐Methyl‐2‐Imidazolcarbaldehyd führte zu Käfigen, die bei Raumtemperatur einen Spin‐Crossover durchlaufen, während der mit 1H‐4‐Imidazolcarbaldehyd erhaltene Käfig einen Spin‐Übergang bei niedrigen Temperaturen zeigt. Drei der neuen Aggregate wurden durch Synchrotron‐Röntgenbeugung strukturell charakterisiert und alle Strukturen wurden mittels Massenspektrometrie, NMR und UV/Vis‐Spektroskopie untersucht.
Rapid Access to Ordered Mesoporous Carbons for Chemical Hydrogen Storage
Authors: Jeong Uiseok , Kim HyeonJi , Ramesh Sreerangappa , Dogan Nesibe A. , Wongwilawan Sirinapa , Kang Sungsu , Park Jungwon , Cho Eun Seon , Yavuz Cafer T.
Published: August 2021

Ordered mesoporous carbon materials offer robust network of organized pores for energy storage and catalysis applications, but suffer from time‐consuming and intricate preparations hindering their widespread use. Here we report a new and rapid synthetic route for a N‐doped ordered mesoporous carbon structure through a preferential heating of iron oxide nanoparticles by microwaves. A nanoporous covalent organic polymer is first formed in situ covering the hard templates of assembled nanoparticles, paving the way for a long‐range order in a carbonaceous nanocomposite precursor. Upon removal of the template, a well‐defined cubic mesoporous carbon structure was revealed. The ordered mesoporous carbon was used in solid state hydrogen storage as a host scaffold for NaAlH4, where remarkable improvement in hydrogen desorption kinetics was observed. The state‐of‐the‐art lowest activation energy of dehydrogenation as a single step was attributed to their ordered pore structure and N‐doping effect.
Light‐Switchable Buffers
Authors: Berton Cesare , Busiello Daniel Maria , Zamuner Stefano , Scopelliti Rosario , Fadaei‐Tirani Farzaneh , Severin Kay , Pezzato Cristian
Published: August 2021

A visible light‐switchable buffer system based on a merocyanine photoacid is presented. Para‐substitution of the indolium side with a methoxy group affords a compound suitable for making hydrolytically stable aqueous buffers whose pH can be tuned between 7 and 4 using 500 nm light.
School safety and school violence: Trends
Authors: Cohen Jonathan
Published: August 2021

This special issue on School Safety and School Violence includes two “lead papers”: A clinical‐research summary of current understandings about school safety/violence trends as well as individual, instructional and school‐wide prevention/health promotion recommendations; and a case study of a school threat situation and the resulting clinical process of understanding and addressing this school violence threat. The ensuing seven papers focus on a range of ecologically informed school violence and safety‐related perspectives as well as commenting—appreciatively and critically—on the two lead papers. Although physical violence in schools is ebbing, social‐emotional violence continues to be pervasive and profoundly toxic phenomena in K‐12 schools around the world. The articles in this special issue address understanding and school violence prevention as well as promoting school safety from multiple vantage points.
AI models and the future of genomic research and medicine: True sons of knowledge?
Authors: König Harald , Frank Daniel , Baumann Martina , Heil Reinhard
Published: August 2021

The increasing availability of large‐scale, complex data has made research into how human genomes determine physiology in health and disease, as well as its application to drug development and medicine, an attractive field for artificial intelligence (AI) approaches. Looking at recent developments, we explore how such approaches interconnect and may conflict with needs for and notions of causal knowledge in molecular genetics and genomic medicine. We provide reasons to suggest that—while capable of generating predictive knowledge at unprecedented pace and scale—if and how these approaches will be integrated with prevailing causal concepts will not only determine the future of scientific understanding and self‐conceptions in these fields. But these questions will also be key to develop differentiated policies, such as for education and regulation, in order to harness societal benefits of AI for genomic research and medicine.
CBC‐Clock Theory of Life – Integration of cellular circadian clocks and cellular sentience is essential for cognitive basis of life
Authors: Baluška František , Reber Arthur S.
Published: August 2021

Cellular circadian clocks represent ancient anticipatory systems which co‐evolved with the first cells to safeguard their survival. Cyanobacteria represent one of the most ancient cells, having essentially invented photosynthesis together with redox‐based cellular circadian clocks some 2.7 billion years ago. Bioelectricity phenomena, based on redox homeostasis associated electron transfers in membranes and within protein complexes inserted in excitable membranes, play important roles, not only in the cellular circadian clocks and in anesthetics‐sensitive cellular sentience (awareness of environment), but also in the coupling of single cells into tissues and organs of unitary multicellular organisms. This integration of cellular circadian clocks with cellular basis of sentience is an essential feature of the cognitive CBC‐Clock basis of cellular life.
Integrating basic and applied researches of SARS‐CoV‐2 into the medical molecular biology teaching
Authors: Zhang Yanfen , Qu Yilin , Zhang Yuwen , Ma Ning
Published: August 2021

Molecular biology is an important course for medical postgraduates to understand the practice of modern molecular medicine. At present, molecular biology has been widely used in the prevention, diagnosis, and treatment of clinical medicine. The COVID‐19 pandemic forced all universities suspending academic activities and online teaching all over the world, which is a kind of crisis and has become people's memory of the times. The efforts from all sectors of society, include government, research institutions, and enterprises, have gave medical students a profound impact. The integration of memory of the times into molecular biology teaching will enhance students' learning interest and understanding effect.
Consumer perceptions and behaviour towards branded commodities
Authors: Singh Jaywant , Dall'Olmo Riley Francesca
Published: August 2021

This study investigates consumers' perceived differentiation of branded commodities. Using data from three countries, across four commodity categories, the study examines consumers' brand/attribute associations, brand commitment, and loyalty‐related brand performance measures that are benchmarked against the output from the well‐established NBD‐Dirichlet model. The brand perceptions and brand performance data provide convergent evidence of systematic variations with market share (or brand penetration), rather than idiosyncratic brand differentiation related to the characteristics or equity of individual commodity brands. Overall, the results show that even commodity brands follow the well‐established Dirichlet‐type empirical patterns. The implication is that communication and other marketing‐mix activities should aim to constantly remind consumers of the brand, maintaining the market shares, rather than setting unrealistic targets for increasing loyalty or accentuating brand differentiation.
New Evidence for the Key Role of Hydrogen Bonding BetweenN‐Hydroxyphthalimide and Halide Ionic Liquids in Hydrocarbons Oxidation
Authors: Talik Gabriela , Orlińska Beata
Published: August 2021

This paper demonstrates the catalytic activity of ionic liquids with an 1‐alkyl‐3‐methylimidazolium cation ([Rmim][X]) in the oxidation of ethylbenzene as a model hydrocarbon. The interaction between ionic liquids andN‐hydroxyphthalimide (NHPI) were examinated with or without Co(II). The activity of the studied ionic liquids and selected tetraalkylammonium salts ([R4N][X]) is compared. The influence of the structure of the alkyl substituents [R] and anions (in which [X]=[Cl], [Br], or [I]) on the reaction course was determined. The interaction between NHPI and the selected ionic liquids was proven using1H NMR. It was shown that the formation of hydrogen bonds between the hydrogen atom in the −NOH group in NHPI and the anion [X] in [Rmim][X] influenced the rate of the oxidation reaction by accelerating the formation of theN‐oxyl radical responsible for the NHPI activity.
Ultra‐Sensitive and Ultra‐Stretchable Strain Sensors Based on Emulsion Gels with Broad Operating Temperature
Authors: Chai Chunxiao , Yi Mengjiao , Zhang Zhuo , Huang Zhaohui , Fan Qi , Hao Jingcheng
Published: August 2021

Hydrogels with mechanical elasticity and conductivity are ideal materials in wearable devices. However, traditional hydrogels are fragile upon mechanical loading and lose functions in climate change because the internal water undergoes freeze and dehydration. Herein, we synthesize stable emulsions at high and low temperatures by introducing glycerol into the W/W emulsions. Then the high‐stable emulsions are used as templates to produce the freestanding emulsion gels with enhanced mechanical strength and conductivity. The introduction of glycerol endows emulsions and emulsion gels with high and low temperature resistance (−20 to 90 °C). The fabricated strain sensors based on emulsion gels show high sensitivity (gauge factor=6.240), high stretchability (1081 %), fatigue resistance, self‐healing and adhesion properties, realizing the repeatable and accurate detection of various human motions. These high‐performance and eco‐friendly emulsion gels can be promising candidates for next‐generation artificial skin and human‐machine interface.
Simultaneous Tuning Band Gaps of Cu2O and TiO2 to Form S‐Scheme Hetero‐Photocatalyst
Authors: Qi Lei , Wang Mei , Xue Jianbin , Zhang Qiyuan , Chen Feng , Liu Qianqian , Li Wanfei , Li Xinheng
Published: August 2021

Photocatalytic Z or S scheme merits higher redox potentials and faster charge separation. However, heterostructure photocatalysts with band gaps of bulk materials often have a type I band structure leading to poor photocatalytic activity. In view of this, we report simultaneous tuning of band gaps of Cu2O and TiO2, where quantum dot Cu2O nanoparticles were formed on doped TiO2 with Ti3+. The reduced size of Cu2O made its conduction band more negative, whereas the introduction of Ti3+ made the absorption edge red shift to the visible light region. The as‐formed heterostructure enabled an S‐Scheme mechanism with remarkable activity and stability for visible light photodegradation of 4‐chlorophenol (4‐CP). The as‐obtained photocatalysts’ activity demonstrated ca. 510‐fold increase as compared to individual ones and a mechanical blend. The as‐obtained photocatalysts maintained over 80 % for 5 cycles and 2 months exposure to O2 did not decrease the degradation rate. ESR characterization and scavenger experiments proved the S‐Scheme mechanism.
A Porphyrin‐Based Covalent Organic Framework for Metal‐Free Photocatalytic Aerobic Oxidative Coupling of Amines
Authors: He Huijie , Fang Xu , Zhai Dong , Zhou Wei , Li Yimeng , Zhao Wenling , Liu Chengcheng , Li Zhen , Deng Weiqiao
Published: August 2021

Imines are important intermediates in drug synthesis. Photocatalytic aerobic oxidative coupling of amines has been considered as a clean and promising way to produce imines and has attracted great attention. Herein, we designed and synthesized a novel two‐dimensional porphyrin‐based covalent organic framework (Por‐BC‐COF) which adopts an AA stacking mode with excellent crystallinity, high Brunauer–Emmett–Teller surface areas (1200 m2 g−1), wide light absorption range (200–1300 nm) and good stability in a variety of organic solvents. Por‐BC‐COF can be used as a metal‐free heterogeneous photocatalyst for the photocatalytic oxidation of amines to imines under visible light and red light with a high yield (97 %). This work presents a novel and efficient COF photocatalyst in the application of light‐driven organic synthesis.
Trait mindfulness and cross‐cultural sales performance: The role of perceived cultural distance
Authors: Charoensukmongkol Peerayuth , Pandey Arti
Published: August 2021

This research examines the effect of trait mindfulness on cross‐cultural sales performance through the mediating effect of sales planning. Moreover, this research examines whether the direct effect of trait mindfulness on sales planning can be moderated by perceived cultural distance between foreign customers and the salespeople. The hypotheses were developed based on cognitive resource theory. This research collected survey data from 282 Thai salespeople at trade shows in Vietnam, India, and Japan and analyzed them using Partial Least Squares Structural Equation Modeling. The results indicate that sales planning fully mediated the direct association between trait mindfulness and cross‐cultural selling performance, while perceived cultural distance also positively moderated the effect of trait mindfulness on sales planning.
High‐Throughput Screening Identifies Ascorbyl Palmitate as a SIRT2 Deacetylase and Defatty‐Acylase Inhibitor
Authors: Hong Jun Young , Cassel Joel , Yang Jie , Lin Hening , Weiser Brian P.
Published: August 2021

Small‐molecule inhibitors of the human sirtuin SIRT2 are being developed because of their therapeutic potential in a variety of diseases. Here, we developed a high‐throughput screen to identify novel SIRT2 inhibitors using a fluorescent SIRT2 probe, 1‐aminoanthracene (AMA). AMA has high fluorescence when bound to SIRT2, and its fluorescence reduces >10‐fold when it is displaced from SIRT2 by other ligands. We used this property of AMA to screen a library of known bioactive compounds for SIRT2 binding and discovered two known pharmaceutical compounds that bind SIRT2 with Kd values in the low μM range, ascorbyl palmitate and pictilisib. Both compounds inhibit the deacetylase and defatty‐acylase activities of SIRT2. While pictilisib has selectivity for SIRT2, ascorbyl palmitate also inhibits the enzymatic activities of SIRT1 and SIRT6. Finally, we show that ascorbyl palmitate inhibits SIRT2 deacetylase and defatty‐acylase activities in cells, and SIRT2 inhibition by ascorbyl palmitate contributes to the cytotoxicity of the compound. Our work discovered novel SIRT2 deacylase inhibitors and presents a screening approach that can be applied on a larger scale.
A risk‐based framework for assessing real‐time lung cancer screening eligibility that incorporates life expectancy and past screening findings
Authors: Toumazis Iakovos , Alagoz Oguzhan , Leung Ann , Plevritis Sylvia K.
Published: August 2021

Background

Current lung cancer risk‐based screening approaches use a single risk‐threshold, disregard life‐expectancy, and ignore past screening findings. We address these limitations with a comprehensive analytical framework, the individualized lung cancer screening decision (ENGAGE) tool that aims to optimize lung cancer screening for US ever‐smokers under dynamic risk assessment by incorporating life expectancy and past screening findings over time.

Methods

ENGAGE employs a partially observable Markov decision process framework that integrates published risk prediction and disease progression models, to dynamically assess the trade‐off between the expected health benefits and harms associated with screening. ENGAGE evaluates lung cancer risk annually and provides real‐time screening eligibility that maximizes the expected quality‐adjusted life‐years (QALYs) of ever‐smokers. We compare ENGAGE against the 2013 U.S. Preventive Services Task Force (USPSTF) lung cancer screening guideline and single‐threshold risk‐based screening paradigms.

Results

Compared with the 2013 USPSTF guidelines, ENGAGE expands screening coverage among ever‐smokers (ENGAGE: 78%, USPSTF: 61%), while reducing the number of screening examinations per person (ENGAGE:10.43, USPSTF:12.07, P < .001), yields higher effectiveness in terms of increased lung cancer‐specific mortality reduction (ENGAGE: 19%, USPSTF: 15%, P < .001) and improves screening efficiency (ENGAGE: 696, USPSTF: 819 screens per death avoided, P < .001). When compared against a single‐threshold risk‐based screening strategy, ENGAGE increases QALY requiring 30% fewer screens per death avoided (ENGAGE: 696, single‐threshold: 889, P < .001), and reduces false positives by 40%.

Conclusions

ENGAGE provides a comprehensive framework for dynamic risk‐based assessment of lung cancer screening eligibility by incorporating life expectancy and past screening findings that can serve to guide future policies on the effectiveness and efficiency of screening.

Lay Summary

A novel decision‐analytical screening framework was developed for lung cancer, the individualized lung cancer screening decision (ENGAGE) tool to provide personalized screening schedules for ever‐smokers.

ENGAGE captures the dynamic nature of lung cancer risk and incorporates life expectancy into the screening decision‐making process.

ENGAGE integrates past screening findings and changes in smoking behavior of individuals and provides informed screening decisions that outperform existing screening guidelines and single‐threshold risk‐based screening approaches.

A personalized lung cancer screening program facilitated by a tool such as ENGAGE could enhance the efficiency of lung cancer screening.
Setting international standards for patient and parent involvement and engagement in childhood, adolescent and young adult cancer research: A report from a European Collaborative Workshop
Authors: Polanco Angela , Al‐Saadi Reem , Tugnait Suzanne , Scobie Nicole , Pritchard‐Jones Kathy
Published: August 2021

Background

Patient and Public Involvement and Engagement (PPIE) in research, advocates for research conducted ‘with’ not ‘for’ the affected population. In paediatric oncology research, the parents of children, adolescents and young adults affected by cancer are represented by the term ‘public’ in the acronym PPIE. Patients (those with cancer and cancer survivors) are also passionate advocates who drive forward the research priorities of children, adolescents and young adults throughout the entire research process.

Aims

A workshop was held at an international professional meeting in 2019 with the aim to define Patient and Parent Involvement and Engagement (PPIE); capture PPIE activities on a European level; and to explore the role of PPIE in non‐interventional research. A proposed framework for a European PPIE strategy for childhood, adolescent and young adult cancers was also discussed.

Methods

The 60‐minute workshop was attended by health care professionals, researchers, scientists, parents, survivors and charity/support organisations. A presentation to define PPIE, including the difference in terminology for PPIE in the context of childhood, adolescent, and young adult cancers was discussed. Best practice examples from the United Kingdom (UK) helped to demonstrate the positive impact of PPIE in paediatric oncology research. Three breakout groups then explored themes relating to PPIE, namely PPIE priorities, PPIE mapping for Europe, and PPIE in non‐interventional research and data‐linkage.

Results

Disparity in PPIE activities across Europe was evident, with ambiguity surrounding terminology and expected roles for PPIE representatives in paediatric oncology research. A lack of PPIE activity in Eastern Europe correlated with a lack of availability for clinical trials and poorer survival rates for paediatric oncology patients. There was unanimous support for PPIE embedded research in all areas, including in non‐interventional studies.

Conclusion

A European‐level definition of PPIE for paediatric oncology research is needed. Further exploration into the role and responsibilities of patients, parents, and professionals when undertaking PPIE related activities is also recommended. Best practice examples from the UK, France, Germany, The Netherlands and Belgium demonstrated a preliminary evidence base from which a European PPIE strategy framework can be designed, inclusive of the patient and parent voice.
Lanthanide‐Based Complexes Containing a Chiral trans‐1,2‐Diaminocyclohexane (DACH) Backbone: Spectroscopic Properties and Potential Applications
Authors: Piccinelli Fabio , Nardon Chiara , Bettinelli Marco , Melchior Andrea , Tolazzi Marilena , Zinna Francesco , Di Bari Lorenzo
Published: August 2021

In this minireview, we give an overview on the use of the chiral molecule trans‐1,2‐diaminocyclohexane (DACH) in several fields of application. This chiral backbone is present in a variety of metal complexes which are employed in (enantioselective) catalysis, chiral discrimination, molecular recognition and supramolecular chemistry. Metal extraction and biochemical and pharmaceutical applications also use the DACH molecule. This contribution is particularly focused on the interesting chemical‐physical properties discussed so far in the literature concerning lanthanide‐based complexes containing chiral ligands characterized by the presence of DACH in the structure. In particular, the interconnection between luminescence (total and circularly polarized), structure and thermodynamics of Eu(III), Tb(III) and Sm(III) complexes will be discussed also in light of their use as optical or chiroptical probes for the sensing of important analytes dissolved in aprotic and protic polar solvents. Several complexes show potential interest in the solid state as phosphors for light emitting devices or for the detection of volatile organic compounds.
The Shrunken pore syndrome is associated with poor prognosis and lower quality of life in heart failure patients: the HARVEST‐Malmö study
Authors: Xhakollari Liana , Grubb Anders , Jujic Amra , Bachus Erasmus , Nilsson Peter M. , Leosdottir Margret , Christensson Anders , Magnusson Martin
Published: August 2021

Aims

This study aimed to investigate the association between the ‘Shrunken pore syndrome’ (SPS) and risk of death, 30 day rehospitalization, and health‐related quality of life (QoL) in heart failure (HF) patients. SPS is characterized by a difference in renal filtration between cystatin C and creatinine, resulting in a low eGFRcystatin C/eGFRcreatinine ratio.

Methods and results

A total of 373 patients hospitalized for HF [mean age 74.8 (±12.1) years; 118 (31.6%) women] were retrieved from the HeARt and brain failure inVESTigation trial (HARVEST‐Malmö). Chronic Kidney Disease Epidemiology Collaboration (CKD‐EPI) formulas were used for estimation of glomerular filtration rate (eGFR). Presence of SPS was defined as eGFRcystatin C ≤ 60% of eGFRcreatinine. In Cox regression multivariate models, associations between SPS, risk of death (median follow‐up time 1.8 years), and risk of 30 day rehospitalization were studied. Associations between SPS and impaired QoL were studied using multivariate logistic regressions. In multivariate models, SPS was associated with all‐cause mortality [124 events; hazard ratio (HR) 1.99; 95% confidence interval (95% CI) 1.23–3.21; P = 0.005] and with 30 day rehospitalization (70 events; HR 1.82; CI 95% 1.04–3.18; P = 0.036). Analyses of QoL, based on a Kansas City Cardiomyopathy Questionnaire overall score < 50, revealed that SPS was associated with higher risk of low health‐related QoL (odds ratios 2.15; CI 95% 1.03–4.49; P = 0.042).

Conclusions

The results of this observational study show for the first time an association between SPS and poor prognosis in HF. Further studies are needed to confirm the results in HF cohorts and experimental settings to identify pathophysiological mechanisms.
Neutrophils pro‐inflammatory and anti‐inflammatory cytokine release in patients with heart failure and reduced ejection fraction
Authors: Chaar Diana , Dumont Benjamin , Vulesevic Branka , Neagoe Paul‐Eduard , Rakel Agnes , Sirois Martin G. , White Michel
Published: August 2021

Aims

Heart failure with reduced ejection fraction (HFrEF) is characterized by sub‐clinical inflammation. Changes in selected biomarkers of inflammation concomitant with the release of pro‐inflammatory and anti‐inflammatory cytokines by neutrophils have not been investigated in patients with HFrEF.

Methods and results

Fifty‐two patients, aged 68.8 ± 1.7 years, with HFrEF and left ventricular ejection fraction 28.7 ± 1.0%, and 21 healthy controls (CTL) were recruited. Twenty‐five HF patients had type 2 diabetes. Venous blood samples from HF and CTL were collected once. Neutrophil‐derived pro‐inflammatory and anti‐inflammatory cytokine levels were assessed in plasma by ELISA. Plasma biomarkers assessed included: C‐reactive protein (CRP), vascular endothelial growth factor (VEGF), interleukins (IL)‐6, ‐8, ‐1 receptor antagonist (‐1RA), nitric oxide (NO), soluble intercellular adhesion molecule‐1 (sICAM‐1), vascular cell adhesion molecule 1 (sVCAM‐1) and E‐Selectin (sE‐Sel). Neutrophils were isolated and stimulated with various agonists to promote VEGF, IL‐6, IL‐8, and IL‐1RA release. Compared with CTL, HFrEF patients showed a marked decrease in circulating VEGF [178.0 (interquartile range; IQR 99.6; 239.2) vs. 16.2 (IQR 9.3; 20.2) pg/mL, P ≤ 0.001] and NO [45.2 (IQR 42.1; 57.6) vs. 40.6 (IQR 30.4; 47.1) pg/mL, P = 0.0234]. All other circulating biomarkers were significantly elevated. Neutrophils isolated from patients with HFrEF exhibited a greater IL‐8 release in response to LPS [1.2 ± 0.1 (CTL); 10.4 ± 1.6 ng/mL (HFrEF) and 12.4 ± 1.6 ng/mL (HFrEF and DM), P ≤ 0.001]. IL‐6 release in response to LPS was not changed in HFrEF patients without diabetes, whereas it was significantly increased in patients with HFrEF and diabetes [46.7 ± 3.9 (CTL) vs. 165.8 ± 48.0 pg/mL (HFrEF), P = 0.1713 and vs. 397.7 ± 67.4 pg/mL (HFrEF and DM), P ≤ 0.001]. In contrast, the release of VEGF and IL‐1RA was significantly reduced in HFrEF (VEGF; TNF‐α: 38.6 ± 3.1 and LPS: 25.3 ± 2.6 pg/mL; IL1RA; TNF‐α: 0.6 ± 0.04 and LPS: 0.3 ± 0.02 ng/mL) compared with CTL (VEGF; TNF‐α: 60.0 ± 9.4 and LPS: 41.2 ± 5.9 pg/mL; IL1RA; TNF‐α: 3.3 ± 0.2 and LPS: 2.3 ± 0.1 ng/mL).

Conclusions

Patients with HFrEF exhibit a significant decrease in circulating VEGF. The release of VEGF and both pro‐inflammatory and anti‐inflammatory cytokines from the stimulated neutrophils is markedly altered in these patients. The clinical significance of these findings deserves further investigation.
Acute pleiotropic effects of dapagliflozin in type 2 diabetic patients with heart failure with reduced ejection fraction: a crossover trial
Authors: Ilyas Fahmida , Jones Lynette , Tee Su Ling , Horsfall Matthew , Swan Amy , Wollaston Fiona , Hecker Tracy , De Pasquale Carla , Thomas Simeoni , Chong William , Stranks Steve , Mangoni Arduino A. , Selvanayagam Joseph B. , Chew Derek P. , De Pasquale Carmine G.
Published: August 2021

Aims

This study aimed to explore the rapid effects of dapagliflozin in heart failure with reduced ejection fraction (HFrEF).

Methods and results

We studied the functional, echocardiographic, electrophysiological, lung ultrasound, ambulatory blood pressure (BP), microvascular and macrovascular function, and biochemical effects of 2 week treatment with dapagliflozin in 19 type 2 diabetic HFrEF patients in a double‐blind, crossover, placebo‐controlled trial. Dapagliflozin had no significant effect on clinical, functional, or quality of life parameters. Dapagliflozin reduced systolic BP [114 (105, 131) vs. 106 (98, 113) mmHg, P < 0.01] and diastolic BP [71 (61, 78) vs. 62 (55, 70) mmHg, P < 0.01]. There was no effect on cardiac chamber size, ventricular systolic function, lung ultrasound, or arterial wave reflection. Dapagliflozin increased creatinine [117 (92, 129) vs. 122 (107, 135) μmol/L, P < 0.05] and haemoglobin [135 (118, 138) vs. 136 (123, 144) g/L, P < 0.05]. There was a reduction in ventricular ectopy [1.4 (0.1, 2.9) vs. 0.2 (0.1, 1.4) %, P < 0.05] and an increase in standard deviation of normal heart beat intervals [70 (58, 90) vs. 74 (62, 103), P < 0.05]. Unexpectedly, dapagliflozin increased high‐sensitivity troponin T [25 (19, 37) vs. 28 (20, 42) ng/L, P < 0.01] and reduced reactive hyperaemia index [1.29 (1.21, 1.56) vs. 1.40 (1.23, 1.84), P < 0.05].

Conclusions

After 2 weeks, while multiple parameters supported BP reduction and haemoconcentration with dapagliflozin, reduction in cardiac filling pressure, lung water, and functional improvement was not shown. Reduced ventricular ectopic burden suggests an early antiarrhythmic benefit. The small increase in troponin T and the reduction in the reactive hyperaemia index warrant further mechanistic exploration in this treatment of proven mortality benefit in HFrEF.
Transition‐Metal‐Free Ring‐Opening Reaction of 2‐Halocyclobutanols through Ring Contraction
Authors: Oeser Petr , Edlová Tereza , Čubiňák Marek , Tobrman Tomáš
Published: August 2021

The present work describes the preparation of halohydrins from 2‐halocyclobutanones by means of reactions with Grignard reagents at −78 °C. We discovered that the prepared cyclobutanols underwent a thermal ring‐opening reaction. Depending on the structure of the starting cyclobutanol, different products were formed. More specifically, 1‐substituted 2‐bromocyclobutan‐1‐ol was found to open to γ‐substituted butyrophenones. A novel 1,3‐dihydro‐2H‐inden‐2‐ylidene derivative was obtained for indene‐derived cyclobutanols. Based on the outcomes of the performed experiments, a mechanism for the ring‐opening of cyclobutanols can be proposed.
Multi‐objective optimization for sustainable production planning
Authors: Kumawat Piyush Kumar , Sinha Rakesh Kumar , Chaturvedi Nitin Dutt
Published: August 2021

Sustainable production planning can be achieved by including several key factors along with production which affect the environment and economy. Carbon emission and energy consumption are essential factors that need to be reduced for achieving sustainable development. In this article, a methodology is proposed for production planning via several process options using available flexibility in the crisp model formulation. A fuzzy multi‐objective model is formulated for satisfying imprecise goals with a view of minimizing carbon emission and energy consumption in industries. This article addresses the decision making in order to develop a better compromise solution for production planning. For practical planning problems, linear and non‐linear membership functions are used to characterize fuzziness. For nonlinear case, two approaches are proposed with multi‐criteria programming models to deal with empirical data points that is, quadratic approximation and piecewise linear approximation. Three examples are illustrated to show the applicability and purpose of the presented methodologies.