bluuebunny/crossref_metadata_2025 huggingface dataset:
Abiotic Formation of an Amide Bond via Surface‐Supported Direct Carboxyl–Amine Coupling
Authors: Yang Biao , Niu Kaifeng , Haag Felix , Cao Nan , Zhang Junjie , Zhang Haiming , Li Qing , Allegretti Francesco , Björk Jonas , Barth Johannes V. , Chi Lifeng
Published: October 2021

Amide bond formation is one of the most important reactions in biochemistry, notably being of crucial importance for the origin of life. Herein, we combine scanning tunneling microscopy and X‐ray photoelectron spectroscopy studies to provide evidence for thermally activated abiotic formation of amide bonds between adsorbed precursors through direct carboxyl–amine coupling under ultrahigh‐vacuum conditions by means of on‐surface synthesis. Complementary insights from temperature‐programmed desorption measurements and density functional theory calculations reveal the competition between cross‐coupling amide formation and decarboxylation reactions on the Au(111) surface. Furthermore, we demonstrate the critical influence of the employed metal support: whereas on Au(111) the coupling readily occurs, different reaction scenarios prevail on Ag(111) and Cu(111). The systematic experiments signal that archetypical bio‐related molecules can be abiotically synthesized in clean environments without water or oxygen.
Superstructures of Organic–Polyoxometalate Co‐crystals as Precursors for Hydrogen Evolution Electrocatalysts
Authors: Li Shuang , Zhao Zhenyang , Ma Tian , Pachfule Pradip , Thomas Arne
Published: October 2021

Molybdenum‐based carbides and nitrides have been considered as catalysts for the hydrogen evolution reaction (HER). One of the challenges in using Mo‐based HER electrocatalysts is establishing well‐defined precursors which can be transformed into Mo‐based carbides/nitrides with controllable structure and porosity. We report the synthesis of a series of superstructures consisting of organic–polyoxometalate co‐crystals (O‐POCs) as a new type of metal–organic precursor to synthesize Mo‐based carbides/nitrides in a controlled fashion and to use them for efficient catalytic hydrogen production. This protocol enables to create electrocatalysts composed of abundant nanocrystallites and heterojunctions with tunable micro‐ and nanostructure and mesoporosity. The best performing electrocatalyst shows high HER activity and stability with a low overpotential of 162 mV at 100 mA cm−2 (in comparison to Pt/C with 263 mV), which makes it one of the best non‐noble metal HER catalysts in alkaline media and seawater.
Mo3S132− Intercalated Layered Double Hydroxide: Highly Selective Removal of Heavy Metals and Simultaneous Reduction of Ag+ Ions to Metallic Ag0 Ribbons
Authors: Yang Lixiao , Xie Linxia , Chu Menglin , Wang Hui , Yuan Mengwei , Yu Zihuan , Wang Chaonan , Yao Huiqin , Islam Saiful M. , Shi Keren , Yan Dongpeng , Ma Shulan , Kanatzidis Mercouri G.
Published: October 2021

We demonstrate a new material by intercalating Mo3S132− into Mg/Al layered double hydroxide (abbr. Mo3S13‐LDH), exhibiting excellent capture capability for toxic Hg2+ and noble metal silver (Ag). The as‐prepared Mo3S13‐LDH displays ultra‐high selectivity of Ag+, Hg2+ and Cu2+ in the presence of various competitive ions, with the order of Ag+>Hg2+>Cu2+>Pb2+≥Co2+, Ni2+, Zn2+, Cd2+. For Ag+ and Hg2+, extremely fast adsorption rates (≈90 % within 10 min, >99 % in 1 h) are observed. Much high selectivity is present for Ag+ and Cu2+, especially for trace amounts of Ag+ (≈1 ppm), achieving a large separation factor (SFAg/Cu) of ≈8000 at the large Cu/Ag ratio of 520. The overwhelming adsorption capacities for Ag+ (qmAg=1073 mg g−1) and Hg2+ (qmHg=594 mg g−1) place the Mo3S13‐LDH at the top of performing sorbent materials. Most importantly, Mo3S13‐LDH captures Ag+ via two paths: a) formation of Ag2S due to Ag‐S complexation and precipitation, and b) reduction of Ag+ to metallic silver (Ag0). The Mo3S13‐LDH is a promising material to extract low‐grade silver from copper‐rich minerals and trap highly toxic Hg2+ from polluted water.
Blends of fresh olive oil and old olive oil: Characterization and quantification through chemical and sensory assessment
Authors: Jabeur Hazem , Ben Hmida Rania , Chtourou Ihsene , Bouaziz Mohamed
Published: October 2021

The present research work undertakes the investigation of the effect of storage on the quality of olive oil from Chemlali cultivar harvested from the Sfax region. The comparison of fresh and old olive oils was conducted through several physico‐chemical methods (free fatty acids, peroxide value, UV‐spectrophotometry [K232, K270, and ΔK], moisture content, total ethyl esters content, pyropheophytin, 1,2‐diacylglycerol content, and sensory analysis). A trivial rise in quality parameter along with a minor impact on the sensory scores was observed. Not only did the pyropheophytin and 1,2‐diacyglycerol criteria prove excellent performance as indicators of overall olive oil quality and freshness, but also underlined any problems during oil storage. Besides, pyropheophytin increment (17%) and the 1,2‐diacylglycerols decreased (35%) at normal storage conditions over time. On the other hand, when blending fresh extra‐virgin olive oil with old extra‐virgin olive oil, no detectable modifications of the chemical composition were observed. This is revealed by the trivial alteration of the parameters which are usually deemed as quality indicators, namely peroxide value, K232, and sensory evaluation. In fact, the most reliable technique appears to be the identification of ethyl esters, pyropheophytin and 1,2‐diacyglycerol.
Polyamidoamine dendrimers of the third generation–chlorin e6 nanoconjugates: Nontoxic hybrid polymers with photodynamic activity
Authors: Díaz Carola F. , Guzmán Leonardo , Jiménez Verónica A. , Alderete Joel B.
Published: October 2021

Dendrimer‐based nanoconjugates play a key role as functional polymers for biomedical applications. In this work, the one‐pot conjugation of polyamidoamine dendrimers of the third generation (PAMAM‐G3) with the photosensitizer chlorin e6 (Ce6) is presented using 1‐ethyl‐3‐(3‐dimethylaminopropyl)carbodiimide (EDC) and N‐hydroxysuccinimide (NHS) to mediate the synthesis, resulting in a 9% substitution degree according to nuclear magnetic resonance data. The PAMAM‐G3‐Ce6 nanoconjugate exhibits reduced cytotoxicity compared with the native dendrimer and efficient photodynamic activity against HeLa cancer cells after 1 h of incubation with a 100 μmol L−1 solution and 3 min of irradiation with red light‐emitting diode light (628 nm, 259 W m−2). Molecular dynamics simulations confirm that the PAMAM‐G3‐Ce6 system adopts a spherical structure and retains the internal dendritic cavities that enable drug encapsulation, which is relevant for the potential use of these hybrid polymers in combined chemo/photodynamic therapy.
Digital morphometrics: Application of MorphoLeaf in shape visualization and species delimitation, using Cucurbitaceae leaves as a model
Authors: Oso Oluwatobi A. , Jayeola Adeniyi A.
Published: October 2021

Premise

Plant leaves are one of the most important organs for plant identification due to their variability across different taxonomic groups. While traditional morphometrics has contributed tremendously to reducing the problems accompanying plant identification and morphology‐based species delimitation, image‐analysis digital solutions have made it easy to detect more characters to complement existing leaf data sets.

Methods

Here, we apply MorphoLeaf to generate a morphometric data set from 140 leaf specimens of seven Cucurbitaceae species via landmark extraction, the reparameterization of leaf contours, and data quantification and normalization. A statistical analysis was performed on the resulting data set.

Results

A principal component analysis revealed that leaf blade area, blade perimeter, tooth area, tooth perimeter, the measure of the distance from tooth position to the tip, and the measure of the distance from tooth position to the base are important and informative landmarks that contribute to the variation within the species studied.

Discussion

MorphoLeaf can be applied to quantitatively track leaf diversity, thereby functionally integrating morphometrics and shape visualization into the digital identification of plants. The success of digital morphometrics in leaf outline analyses presents researchers with opportunities to carry out more accurate image‐based research in areas such as plant development, evolution, and phenotyping.
Strategic Approaches to the Dendritic Growth and Interfacial Reaction of Lithium Metal Anode
Authors: Han Sang A , Qutaish Hamzeh , Park Min‐Sik , Moon Janghyuk , Kim Jung Ho
Published: October 2021

Utilization of lithium (Li) metal anode is highly desirable for achieving high energy density batteries. Even so, the unavoidable features of Li dendritic growth and inactive Li are still the main factors that hinder its practical application. During plating and stripping, the solid electrolyte interphase (SEI) layer can provide passivation, playing an important role in preventing direct contact between the electrolyte and the electrode in Li metal batteries. Because of complexities of the electrolyte chemical and electrochemical reactions, the various formation mechanisms for the SEI are still not well understood. What we do know is that a strategic artificial SEI achieved through additives electrolyte can suppress the Li dendrites. Otherwise, the dendrites keep generating an abundance of irreversible Li, resulting in severe capacity loss, internal short‐circuiting, and cell failure. In this minireview, we focus on the phenomenon of dendritic Li‐growth and provide a brief overview of SEI formation. We finally provide some clear insights and perspectives toward practical application of Li metal batteries.
Monodisperse Porous Carbon Nanospheres with Ultra‐High Surface Area for Energy Storage in Electrochemical Capacitors
Authors: Díez Noel , Sevilla Marta , Fombona‐Pascual Alba , Fuertes Antonio B.
Published: October 2021

Highly porous carbon nanoparticles are very suitable materials for supercapacitor electrodes due to their combination of large surface area for ion adsorption and short pathways for fast ion diffusion. Herein we describe the synthesis of highly porous carbon nanospheres (d=90 nm) by a simple strategy that involves the preparation of monodisperse nanoparticles by the oxidative polymerization of pyrrole, followed by their direct chemical activation with KHCO3. The morphology of the nanospheres is well retained after activation, and the inorganic impurities are removed by a simple washing step with water. The porous nanospheres possess a high electrical conductivity and specific surface areas exceeding 3000 m2 g−1 due to their high content of micropores and small mesopores (<4 nm). Their highly developed and readily available porosity make these materials promising for use as supercapacitor electrodes. In the aqueous 1 M H2SO4 electrolyte, the porous nanospheres reach a capacitance of 262 F g−1 and withstand an ultrahigh current density of 80 A g−1 maintaining a capacitance above 100 F g−1. In the organic 1 M TEABF4/AN and EMImTFSI/AN electrolytes, the nanoparticles reach 175 and 155 F g−1, and the supercapacitors could be cycled up to 50 A g−1 delivering 30 Wh kg−1 at a power density of 20 kW kg−1 and 31 Wh kg−1 at a power density of 31 kW kg−1, respectively. These results demonstrate the potential of these nanoparticles for energy storage applications.
Thrombopoietin receptor‐based protein–protein interaction screening (THROPPIS)
Authors: Horikawa Makiko , Kakiuchi Yosuke , Kashima Daiki , Ogawa Kenichiro , Kawahara Masahiro
Published: October 2021

As protein–protein interactions (PPIs) are involved in many cellular events, development of mammalian cytosolic PPI detection systems is important for drug discovery as well as understanding biological phenomena. We have previously reported a c‐kit‐based PPI screening (KIPPIS) system, in which proteins of interest were fused with a receptor tyrosine kinase c‐kit, leading to intracellular PPI‐dependent cell growth. However, it has not been investigated whether PPI can be detected using other receptors. In this study, we employed a thrombopoietin receptor, which belongs to the Type I cytokine receptor family, to develop a thrombopoietin receptor‐based PPI screening (THROPPIS) system. To improve the sensitivity of THROPPIS, we examined two strategies of (i) localization of the chimeric receptors on the cell membrane, and (ii) addition of a helper module to the chimeric receptors. Intriguingly, the nonlocalized chimeric receptor showed the best performance of THROPPIS. Furthermore, the addition of the helper module dramatically improved the detection sensitivity. In total, 5 peptide–domain interactions were detected successfully, demonstrating the versatility of THROPPIS. In addition, a peptide–domain interaction was detected even when insulin receptor or epidermal growth factor receptor was used as a signaling domain, demonstrating that this PPI detection system can be extended to other receptors.
The strength of corticomotoneuronal drive underlies ALS split phenotypes and reflects early upper motor neuron dysfunction
Authors: Eisen Andrew , Bede Peter
Published: October 2021

Background

Split phenotypes, (split hand, elbow, leg, and foot), are probably unique to ALS, and are characterized by having a shared peripheral input of both affected and unaffected muscles. This implies an anatomical origin rostral to the spinal cord, primarily within the cerebral cortex. Therefore, split phenotypes are a potential marker of ALS upper motor neuron pathology. However, to date, reports documenting upper motor neuron dysfunction in split phenotypes have been limited to using transcranial magnetic stimulation and cortical threshold tracking techniques. Here, we consider several other potential methodologies that could confirm a primary upper motor neuron pathology in split phenotypes.

Methods

We review the potential of: 1. measuring the compound excitatory post‐synaptic potential recorded from a single activated motor unit, 2. cortical‐muscular coherence, and 3. new advanced modalities of neuroimaging (high‐resolution imaging protocols, ultra‐high field MRI platforms [7T], and novel Non‐Gaussian diffusion models).

Conclusions

We propose that muscles involved in split phenotypes are those functionally involved in the human motor repertoire used particularly in complex activities. Their anterior horn cells receive the strongest corticomotoneuronal input. This is also true of the weakest muscles that are the earliest to be affected in ALS. Descriptions of split hand in non‐ALS cases and proposals that peripheral nerve or muscle dysfunction may be causative are contentious. Only a few carefully controlled cases of each form of split phenotype, using upper motor neuron directed methodologies, are necessary to prove our postulate.
Risk, rights and deservedness: Navigating the tensions of Gladue, Fetal Alcohol Spectrum Disorder and settler colonialism in Canadian courts
Authors: Dickson Jane , Stewart Michelle
Published: October 2021

In 2008, the Truth and Reconciliation Commission of Canada engaged in a public project of national reconciliation to address the ongoing impacts of settler colonialism including the disproportionate number of Indigenous adults and youth who are held in remand facilities awaiting trial or sentence as well as those who are convicted and sentenced to periods of incarceration. Efforts to further reconciliation by reducing Indigenous incarceration rates have relied largely on the courts and their application of a sentencing principle rooted in the Supreme Court’s ruling in R. v. Gladue [1999] 1 SCR 688. In this article, we argue that the Gladue sentencing principle is being fundamentally undermined in the courts through risk models that actively displace the very context that Gladue reports seek to illuminate. Included in the analysis are the compounding impacts facing Indigenous individuals struggling with a complex disability like Fetal Alcohol Spectrum Disorder.
Discovery of Two Novel Oxidases Using a High‐Throughput Activity Screen
Authors: Rembeza Elzbieta , Boverio Alessandro , Fraaije Marco W. , Engqvist Martin K. M.
Published: October 2021

Discovery of novel enzymes is a challenging task, yet a crucial one, due to their increasing relevance as chemical catalysts and biotechnological tools. In our work we present a high‐throughput screening approach to discovering novel activities. A screen of 96 putative oxidases with 23 substrates led to the discovery of two new enzymes. The first enzyme, N‐acetyl‐D‐hexosamine oxidase (EC 1.1.3.29) from Ralstonia solanacearum, is a vanillyl alcohol oxidase‐like flavoprotein displaying the highest activity with N‐acetylglucosamine and N‐acetylgalactosamine. Before our discovery of the enzyme, its activity was an orphan one ‐ experimentally characterized but lacking the link to amino acid sequence. The second enzyme, from an uncultured marine euryarchaeota, is a long‐chain alcohol oxidase (LCAO, EC 1.1.3.20) active with a range of fatty alcohols, with 1‐dodecanol being the preferred substrate. The enzyme displays no sequence similarity to previously characterised LCAOs, and thus is a completely novel representative of a protein with such activity.
Concomitant active inflammation of myocardium and thyroid, incidental finding in COVID‐19 pandemic: A case report
Authors: Houshmand Golnaz , Ghorashi Seyyed Mojtaba , Mirrazeghi Fatemeh , Omidi Negar
Published: October 2021

SARS‐CoV‐2 could affect every organ either directly or indirectly. We describe a young, healthy man diagnosed with COVID‐19 whose inaugural presentation was concurrent myocarditis and incidental thyroiditis in cardiac magnetic resonance imaging within two months post recovery. This case illustrates the ongoing pro‐inflammatory process several months’ post‐COVID‐19 recovery.
A case of nonislet cell tumor hypoglycemia associated with malignant mesothelioma requiring a multifaceted approach for optimal glycemic control
Authors: Ono Mariko , Maeda Yuki , Koyama Nobuyuki , Nagase Terumasa , Katsura Yoshiya , Nakamura Hiroyuki , Aoshiba Kazutetsu
Published: October 2021

Nonislet tumor hypoglycemia (NICTH) is a rare paraneoplastic syndrome characterized by refractory hypoglycemia, which often requires multifaceted therapy. We reported a case of a patient with pleural malignant mesothelioma and developed NICTH, for which chemotherapy, glucocorticoids, and nutrition were given to achieve optimal glycemic control.
Apple juice and red wine induced mirror‐image circular dichroism in quantum dots
Authors: Kwon Yuri H. , Tannir Shambhavi , Balaz Milan , Varga Krisztina
Published: October 2021

Juices, wines, and extracts from plants contain high concentrations of various chiral compounds such as carboxylic acids or sugars. Several prior studies reported the synthesis of metallic and semiconducting nanoparticles relying on components of complex biological solutions. Herein, we present preparation of chiral CdS and CdSe quantum dots (QDs) using apple juice and red wine via phase transfer ligand exchange. Although both apple juice and red wine contain a complex mixture of chiral and achiral compounds, we have successfully used them for selective induction of predicted chiroptical properties and confirmed L‐malic acid from the apple juice and L‐tartaric acid from the red wine as the chiral inducers. This work illustrates the capability of using complex mixtures to construct chiral QDs with desired chiroptical properties as well as potential of QDs to selectively report a chiral molecule in a complex chiral mixture without the need for elaborate chiral recognition system.
Central retinal artery occlusion as a first sign of atrial fibrillation: A 3‐year retrospective single‐center analysis
Authors: Vonderlin Nadine , Kortuem Karsten , Siebermair Johannes , Köhrmann Martin , Rassaf Tienush , Massberg Steffen , Priglinger Siegfried , Kääb Stefan , Wakili Reza
Published: October 2021

Background

Central retinal artery occlusion ((C)RAO) is known to be associated with stroke and/or atrial fibrillation (AF). Nevertheless, patients often present at the ophthalmologist initially and it is unknown how many of these receive an adequate cardiological/neurological work‐up (CWU/NWU), including a 24 h‐Holter‐ECG.

Hypothesis

Hypothesis of this study was that patients with (C)RAO do not undergo CWU on regular basis and that new‐onset AF is more often detected in patients with CWU.

Methods and results

We performed a retrospective analysis of n = 292 consecutive patients who presented at an ophthalmology department with the diagnosis of (C)RAO during a 3‐year period. After excluding patients with known AF, meeting exclusion criteria, inability to comply with the protocol, missed land phoneline, or death during follow‐up a total of 174 patients were enrolled; mean follow‐up was 20 ± 12 months. The CHA2DS2‐VASc score of the cohort was 5.3 ± 1.4. Our analysis revealed that only 50.6% of patients received a CWU including a single Holter‐ECG after the index‐event. In 12.6% cases new‐onset AF was diagnosed, while the rate was higher in patients with CWU compared to patients without CWU (18.2 vs. 7.0%; p = 0.26). Evaluation of oral anticoagulation (OAC) therapy showed that only 66% of patients with AF were treated according to guidelines.

Conclusion

Only half of patients with (C)RAO underwent CWU. Despite minimal monitoring, rate of new diagnosed AF was high. Our results confirm that (C)RAO identifies a high‐risk population for AF. These results illustrate the importance to implement standardized CWU in (C)RAO patients presenting at the ophthalmologist.
Intrusion detection systems in the cloud computing: A comprehensive and deep literature review
Authors: Liu Zhiqiang , Xu Bo , Cheng Bo , Hu Xiaomei , Darbandi Mehdi
Published: October 2021

Abrupt development of resources and rising expenses of infrastructure are leading institutions to take on cloud computing. Albeit, the cloud environment is vulnerable to various sorts of attacks. So, recognizing malicious software is one of the principal challenges in cloud security governance. Intrusion detection system (IDS) has turned to the most generally utilized element of computer system security that asserts the cloud from diverse sorts of attacks and threats. As evident, no systematic literature review exists that focuses on cloud computing usage within IDS processes. The previous investigations had not considered the statistical analysis method. Hence, this paper examined the IDS mechanisms in cloud computing systematically. Twenty‐two articles have been obtained using defined filters divided into four sections: hypervisor‐based IDS, network‐based IDS, machine learning‐based IDS, and hybrid IDS. The comparison is performed depending on the outcomes illustrated in the investigations. It demonstrates that IDS precision, inclusiveness, overhead, and reaction time have been discussed in many studies. Simultaneously, less attention has been paid to cost‐sensitivity, functioning, attack tolerance, and intrusion facing. This paper has made an excellent effort to organize literature drawn from multiple sources into a manuscript.
Multi‐stimuli Photo and Redox‐active Nanostructured Mesoporous Silica Films on Transparent Electrodes
Authors: Ahoulou Samuel , Vilà Neus , Pillet Sébastien , Carteret Cédric , Schaniel Dominik , Walcarius Alain
Published: October 2021

Silica matrices hosting transition metal guest complexes may offer remarkable platforms for the development of advanced functional devices. We report here the elaboration of ordered and vertically oriented mesoporous silica thin films containing covalently attached tris(bipyridine)iron derivatives using a combination of electrochemically assisted self‐assembly (EASA) method and Huisgen cycloaddition reaction. Such a versatile approach is primarily used to bind nitrogen‐based chelating ligands such as (4‐[(2‐propyn‐1‐yloxy)]4’‐methyl‐2,2’‐bypiridine, bpy’) inside the nanochannels. Further derivatization of the bpy’‐functionalized silica thin films is then achieved via a subsequent in‐situ complexation step to generate [Fe(bpy)2(bpy’)]2+ inside the mesopore channels. After giving spectroscopic evidences for the presence of such complexes in the functionalized film, electrochemistry is used to transform the confined diamagnetic (S=0)
species to paramagnetic (S=1/2) oxidized
species in a reversible way, while blue light irradiation (λ=470 nm) enables populating the short‐lived paramagnetic (S=2)
excited state. [Fe(bpy)2(bpy’)]2+‐functionalized ordered films are therefore both electro‐ and photo‐active through the manipulation of the oxidation state and spin state of the confined complexes, paving the way for their integration in optoelectronic devices.
Nb2O5/g‐C3N4 Heterojunction Facilitates 2,5‐Diformylfuran Production via Photocatalytic Oxidation of 5‐Hydroxymethylfurfural under Direct Sunlight Irradiation
Authors: Sharma Shelja , Kumar Sandeep , Arumugam Senthil Murugan , Palanisami Muthukumaran , Shanmugam Vijayakumar , Elumalai Sasikumar
Published: October 2021

Herein, we report the enriched synthesis of 2,5‐diformylfuran (DFF) from 5‐hydroxymethylfurfural (HMF) over a Nb2O5/g‐C3N4 heterojunction under direct sunlight irradiation. The analytical characterization established the improved quality of the heterojunction compared to the original characteristics of the single photocatalysts, especially the surface properties and alignment of band edge positions, towards the control of recombination of the charge carriers for its application in the photocatalytic oxidation of HMF. Acetonitrile possessing a moderate polarity provided significant assistance in the higher HMF conversion (72 %), resulting in a 61 % wt. DFF yield and 84 % selectivity under modest reaction conditions. The result is comparatively 1.5 to 3.3 times higher than the single photocatalysts (g‐C3N4 and Nb2O5) under similar conditions, indicating the potential of the heterostructure (type‐II heterojunction) in DFF synthesis through the synergistic action of Nb2O5 and g‐C3N4 by controlling the e−–h+ pair recombination. Moreover, the heterojunction enabled selective conversion without the supply of O2 gas or oxidizing agent. The photogenerated holes (h+) played a key role in the augmented HMF conversion (based on radical trap studies), which obeyed first‐order kinetics.
Rapid Surface Reconstruction of Amorphous Co(OH)2/WOx with Rich Oxygen Vacancies to Promote Oxygen Evolution
Authors: Li Sijun , Wang Hua , Ma Zemian , Xiao Qinglan , Gao Qin , Jiang Yimin , Shen Wei , He Rongxing , Li Ming
Published: October 2021

Herein, a transition metal dissolution‐oxygen vacancy strategy, based on dissolution of highly oxidized transition metal species in alkaline electrolyte, was suggested to construct a high‐performance amorphous Co(OH)2/WOx (a‐CoW) catalyst for the oxygen evolution reaction (OER). The surface reconstruction of a‐CoW and its evolution were described by regulating oxygen vacancies. With continuous dissolution of W species, oxygen vacancies on the surface were generated rapidly, the surface reconstruction was promoted, and the OER performance was improved significantly. During the surface reconstruction, W species also played a role in electronic modulation for Co. Due to its rapid surface reconstruction, a‐CoW exhibited excellent OER performance in alkaline electrolyte with an overpotential of 208 mV at 10 mA cm−2 and had long‐term stability for at least 120 h. This work shows that the transition metal dissolution‐oxygen vacancy strategy is effective for preparation of high‐performance catalysts.
Targeting integrin αvβ3 with indomethacin inhibits patient‐derived xenograft tumour growth and recurrence in oesophageal squamous cell carcinoma
Authors: Liu Fangfang , Wu Qiong , Han Wei , Laster Kyle , Hu Yamei , Ma Fayang , Chen Hanyong , Tian Xueli , Qiao Yan , Liu Hui , Kim Dong Joon , Dong Zigang , Liu Kangdong
Published: October 2021

Rationale

A high risk of post‐operative recurrence contributes to the poor prognosis and low survival rate of oesophageal squamous cell carcinoma (ESCC) patients. Increasing experimental evidence suggests that integrin adhesion receptors, in particular integrin αv (ITGAV), are important for cancer cell survival, proliferation and migration. Therefore, targeting ITGAV may be a rational approach for preventing ESCC recurrence.

Materials and methods

Protein levels of ITGAV were determined in human ESCC tumour tissues using immunohistochemistry. MTT, propidium iodide staining, and annexin V staining were utilized to investigate cell viability, cell cycle progression, and induction of apoptosis, respectively. Computational docking was performed with the Schrödinger Suite software to visualize the interaction between indomethacin and ITGAV. Cell‐derived xenograft mouse models, patient‐derived xenograft (PDX) mouse models, and a humanized mouse model were employed for in vivo studies.

Results

ITGAV was upregulated in human ESCC tumour tissues and increased ITGAV protein levels were associated with poor prognosis. ITGAV silencing or knockout suppressed ESCC cell growth and metastatic potential. Interestingly, we identified that indomethacin can bind to ITGAV and enhance synovial apoptosis inhibitor 1 (SYVN1)‐mediated degradation of ITGAV. Integrin β3, one of the β subunits of ITGAV, was also decreased at the protein level in the indomethacin treatment group. Importantly, indomethacin treatment suppressed ESCC tumour growth and prevented recurrence in a PDX mouse model. Moreover, indomethacin inhibited the activation of cytokine TGFβ, reduced SMAD2/3 phosphorylation, and increased anti‐tumour immune responses in a humanized mouse model.

Conclusion

ITGAV is a promising therapeutic target for ESCC. Indomethacin can attenuate ESCC growth through binding to ITGAV, promoting SYVN1‐mediated ubiquitination of ITGAV, and potentiating cytotoxic CD8+ T cell responses.
The classical hitchhiking model with continuous mutational pressure and purifying selection
Authors: Stephan Wolfgang
Published: October 2021

Detecting selective sweeps driven by strong positive selection and localizing the targets of selection in the genome play a major role in modern population genetics and genomics. Most of these analyses are based on the classical model of genetic hitchhiking proposed by Maynard Smith and Haigh (1974,Genetical Research, 23, 23). Here, we consider extensions of the classical two‐locus model. Introducing mutation at the strongly selected site, we analyze the conditions under which soft sweeps may arise. We identify a new parameter (the ratio of the beneficial mutation rate to the selection coefficient) that characterizes the occurrence of multiple‐origin soft sweeps. Furthermore, we quantify the hitchhiking effect when the polymorphism at the linked locus is not neutral but maintained in a mutation‐selection balance. In this case, we find a smaller relative reduction of heterozygosity at the linked site than for a neutral polymorphism. In our analysis, we use a semi‐deterministic approach; i.e., we analyze the frequency process of the beneficial allele in an infinitely large population when its frequency is above a certain threshold; however, for very small frequencies in the initial phase after the onset of selection we rely on diffusion theory.
The finely defined shift work schedule of dung beetles and their eye morphology
Authors: Tocco Claudia , Dacke Marie , Byrne Marcus
Published: October 2021

In nature, nothing is wasted, not even waste. Dung, composed of metabolic trash and leftovers of food, is a high‐quality resource and the object of fierce competition. Over 800 dung beetle species (Scarabaeinae) compete in the South African dung habitat and more than 100 species can colonize a single dung pat. To coexist in the same space, using the same food, beetles divide the day between them. However, detailed diel activity periods and associated morphological adaptations have been largely overlooked in these dung‐loving insects. To address this, we used a high‐frequency trapping design to establish the diel activity period of 44 dung beetle species in their South Africa communities. This allowed us to conclude that the dung beetles show a highly refined temporal partitioning strategy, with differences in peak of activity even within the diurnal, crepuscular, and nocturnal guilds, independent of nesting behavior and taxonomic classification. We further analyzed differences in eye and body size of our 44 model species and describe their variability in external eye morphology. In general, nocturnal species are bigger than crepuscular and diurnal species, and as expected, the absolute and relative eye size is greatest in nocturnal species, followed by crepuscular and then diurnal species. A more surprising finding was that corneal structure (smooth or facetted) is influenced by the activity period of the species, appearing flat in the nocturnal species and highly curved in the diurnal species. The role of the canthus—a cuticular structure that partially or completely divides the dung beetle eye into dorsal and ventral parts—remains a mystery, but the large number of species investigated in this study nevertheless allowed us to reject any correlation between its presence and the nesting behavior or time of activity of the beetles.
Clinical characteristics of people with heart failure in Australian general practice: results from a retrospective cohort study
Authors: Sindone Andrew P. , Haikerwal Deepak , Audehm Ralph G. , Neville Alexander Munro , Lim Kevin , Parsons Richard Whaddon , Piazza Peter , Liew Danny
Published: October 2021

Aims

Heart failure (HF) causes significant morbidity and mortality, but the rates and characteristics of people with HF in Australia are not well studied. SHAPE set out to describe the characteristics of HF patients seen in the real‐world setting.

Methods

We analysed anonymized patient data extracted from the clinical software of 43 participating GP clinics for the 5 year period from 1 July 2013 to 30 June 2018. Patients were stratified into ‘definite’ and ‘probable’ HF based on a hierarchy of selection criteria and analysed for their clinical characteristics. Symptoms and signs of HF and ejection fraction data were searched for within the free text of the medical notes.

Results

Of the 1.12 million adults seen regularly, 20 219 were classified as having definite or probable HF. The mean age of the population was 69.8 years, 50.6% were female, and mean body mass index was 31.2 kg/m2. Fewer than 1 in 6 had the HF diagnosis optimally recorded. Only 3.2% (650 patients) had their left ventricular ejection fraction (EF) quantified: 40.9% had an EF ≥50% and 59.1% had an EF <50%. The most common comorbidities in people with HF were hypertension (41.1%), chronic obstructive pulmonary disease/asthma (25.1%) and depression/anxiety (18.4%). Hypotension (2.3%), bradycardia (6.3%), severe renal impairment (6.4%) and hyperkalaemia (2.0%) were uncommon. Just over one‐third (37.8%) had iron deficiency. Loop diuretic use was common (56.7%) but only 33.7% were on a guideline recommended beta‐blockers. Use of ivabradine (1.4%) and sacubitril/valsartan (1.2%) was very low, while 39.9% had been prescribed an angiotensin‐converting enzyme inhibitor, 31.6% an angiotensin receptor blocker and 16.0% spironolactone. Many patients were prescribed medications that may worsen HF or are relatively contraindicated, such as macrolide antibiotics (29.9%), corticosteroids (25.8%), nonsteroidal anti‐inflammatory drugs (23.9%), and tricyclic antidepressants (9.4%).

Conclusions

Heart failure is poorly documented in general practice records and may be contributing to untoward downstream effects, such as low documentation of echocardiography, poor use of guideline recommended therapies and frequent use of medications that may worsen HF.
Perioperative Amiodarone to Prevent Atrial fibrillation after Septal Myectomy in obstrUctive hypeRtroPHic cardiomyopathy
Authors: Shalen Evan F. , Heitner Stephen B. , Al‐Rashdan Lana , Akhavein Reyhaneh , Elman Miriam R. , Fischer Katherine L. , Lin Lucy Q. , Mannello Meghan , Nazer Babak , Song Howard K. , Masri Ahmad
Published: October 2021

Aims

Amiodarone reduces the incidence of atrial fibrillation (AF) following coronary artery bypass surgery; however, the benefit of perioperative amiodarone in patients undergoing septal myectomy (SM) for obstructive hypertrophic cardiomyopathy (oHCM) has not been studied. We hypothesized that prophylactic amiodarone would reduce the incidence of postoperative AF (POAF) following SM for oHCM.

Methods and Results

A single‐centre, pre‐post intervention open‐label study of oral amiodarone (200 mg twice daily starting 7 days preoperatively and 200 mg once daily continuing for 30 days postoperatively) in patients without prior AF undergoing SM for oHCM from 2014 to 2018. The primary outcome was incident AF within 30 days. Secondary outcomes were unplanned readmission, AF treatment, total and intensive care unit (ICU) length of stay (LOS), and pacemaker implantation for high‐grade atrioventricular (AV) block. 61 patients met inclusion criteria with 34 (55.8%) in the pre‐intervention (control) group and 27 (44.2%) in the post‐intervention (amiodarone) group. The incidence of POAF was 11.0% in the amiodarone group compared with 38.2% in the control group (P = 0.017). After adjusting for age, amiodarone was associated with less POAF [adjusted odds ratio (aOR) 0.21; 95% confidence interval (CI) 0.05, 0.76; P = 0.016]. ICU (2 days [IQR 1, 4] vs. 3 days [IQR 2, 4]; P = 0.165) and total (6 days [IQR 5, 6] vs. 6 days [IQR 5, 7]; P = 0.165) LOS were similar, as was the rate of pacemaker implantation (7.4% vs. 8.3%, P > 0.999). There were no adverse events associated with amiodarone.

Conclusions

Perioperative oral amiodarone is safe and was associated with lower incidence of POAF following SM for oHCM.
Heavy chain‐only antibody genes in fish evolved to generate unique CDR3 repertoire
Authors: Anumukonda Kamala , Francis Malcolm , Currie Peter , Tulenko Frank , Hsu Ellen
Published: October 2021

In addition to conventional immunoglobulin, camelids and cartilaginous fish express a special class of antibody that consists only of heavy (H) chain (HCAbs). In the holocephalan elephantfish, there are two HCAb classes, one of which has evolved surprising features. The H‐chain genes in cartilaginous fish are organized as 20–200 minigenes, or clusters, each consisting of VH, 1–3 DH, JH gene segments with one set of constant region exons. We report that HHC2 (holocephalan H‐chain antibody 2) evolved from IgM H‐chain clusters, but its DH gene segments have diverged considerably. The three DH in HHC2 clusters are A‐rich, so that one to three potential reading frames for each DH encode lysine and arginine. All three are incorporated into the rearranged VDJ, ensuring that the ligand‐binding site carries multiple basic residues, as cDNA sequences demonstrate. The electropositive character in HHC2 CDR3 is accompanied by a paucity of aromatic amino acids, the latter feature at variance to the established, interactive role of tyrosine not only in ligand‐binding but generally at interfaces of protein complexes. The selection for these divergent HHC2 features challenges currently accepted ideas on what determines antibody reactivity and molecular recognition.
Understanding the Mechanism of Amorphization for Co‐URJC‐5
Authors: López‐Olvera Alfredo , Montes‐Andrés Helena , Martínez‐Ahumada Eva , López‐Cervantes Valeria B. , Martínez‐Serrano Ricardo D. , González‐Zamora Eduardo , Martínez Ana , Leo Pedro , Martos Carmen , Ibarra Ilich A. , Orcajo Gisela
Published: October 2021

Irreversible transition from monocrystalline to amorphous phase accompanied by a change in coordination geometry (octahedral to tetrahedral) was first observed in a Co(II)‐based MOF material, named Co‐URJC‐5, via SO2 uptake. This structural change is associated with the total loss of the pyridine ligand from the axial positions. These results are corroborated using PXRD and FT‐IR spectroscopy. A plausible amorphization mechanism is proposed using crystal field theory.
Recent Advances in MOF‐Based Materials for Photocatalytic Nitrogen Fixation
Authors: Hu Kongqiu , Huang Zhiwei , Zeng Liwen , Zhang Zhihui , Mei Lei , Chai Zhifang , Shi Weiqun
Published: October 2021

Solar‐driven photocatalytic nitrogen fixation is a low‐energy and environmentally friendly strategy for NH3 synthesis, which is considered as a possible alternative to the Haber‐Bosch (HB) process. Considering the extremely high bond energy of N2, the choice of photocatalysts is essential for nitrogen reduction reaction (NRR). As a class of porous materials with high crystallinity and adjustable organic ligands, metal‐organic frameworks (MOFs) have been proven to exhibit high photocatalytic activity for a lot of reactions. Recently, MOFs and MOF‐based functional materials have become a kind of promising photocatalysts for NRR. In this minireview, we provide a comprehensive overview of the work reported so far on the MOF and MOF‐derived photocatalysts for the nitrogen fixation. Through the comprehensive analysis of the structures, nitrogen fixation performances and mechanisms of these photocatalysts, this minireview provides a reference for the design of new photocatalysts based on MOF materials.
All optical multi‐functional signal processing scheme for D8PSK and DQPSK format using four‐wave mixing in semiconductor optical amplifiers
Authors: Yang Wei , Wang Yafei
Published: October 2021

In this article, a multifunctional optical processing unit for differential eight phase‐shift‐keying (D8PSK) and differential quadrature phase‐shift‐keying (DQPSK) based on four‐wave mixing (FWM) effects in semiconductor optical amplifier (SOA) is proposed. All‐optical wavelength conversion, D8PSK‐to‐DQPSK format conversion and signal encryption of 10‐Gbaud DQPSK and D8PSK optical signals are achieved simultaneously by simulation. Detailed theoretical analysis and simulation results are conducted to verify the feasibility of the scheme. The Q factor of the electrical signals and the bit error rate recovered from wavelength and format converted components are approximated to be around 6, and 10−9, which indicates the feasibility of the scheme. For the encrypted signal, the FWM effect of another SOA is utilized to decrypt the encrypted signal, and the encryption function of 10‐Gbaud DQPSK and D8PSK optical signals is also verified.
Low Temperature, Vacuum‐Processed Bismuth Triiodide Solar Cells with Organic Small‐Molecule Hole Transport Bilayer
Authors: Sebastia-Luna Paz , Sessolo Michele , Palazon Francisco , Bolink Henk J.
Published: October 2021

Herein, the preparation of fully vacuum‐processed bismuth triiodide solar cells with low annealing temperature is reported. Planar n‐i‐p devices are prepared using a thin compact SnO2 layer as the electron extraction layer and an electron blocking/hole extraction bilayer consisting of an intrinsic and doped organic hole‐transport molecule. Using this configuration, herein, higher fill‐factors and overall power conversion efficiencies than with conventional solution‐processed hole transport materials are achieved.
Mapping white matter maturational processes and degrees on neonates by diffusion kurtosis imaging with multiparametric analysis
Authors: Li Xianjun , Li Mengxuan , Wang Miaomiao , Wu Fan , Liu Heng , Sun Qinli , Zhang Yuli , Liu Congcong , Jin Chao , Yang Jian
Published: October 2021

White matter maturation has been characterized by diffusion tensor (DT) metrics. However, maturational processes and degrees are not fully investigated due to limitations of univariate approaches and limited specificity/sensitivity. Diffusion kurtosis imaging (DKI) provides kurtosis tensor (KT) and white matter tract integrity (WMTI) metrics, besides DT metrics. Therefore, we tried to investigate performances of DKI with the multiparametric analysis in characterizing white matter maturation. Developmental changes in metrics were investigated by using tract‐based spatial statistics and the region of interest analysis on 50 neonates with postmenstrual age (PMA) from 37.43 to 43.57 weeks. Changes in metrics were combined into various patterns to reveal different maturational processes. Mahalanobis distance based on DT metrics (DM,DT) and that combing DT and KT metrics (DM,DT‐KT) were computed, separately. Performances of DM,DT‐KT and DM,DT were compared in revealing correlations with PMA and the neurobehavioral score. Compared with DT metrics, WMTI metrics demonstrated additional changing patterns. Furthermore, variations of DM,DT‐KT across regions were in agreement with the maturational sequence. Additionally, DM,DT‐KT demonstrated stronger negative correlations with PMA and the neurobehavioral score in more regions than DM,DT. Results suggest that DKI with the multiparametric analysis benefits the understanding of white matter maturational processes and degrees on neonates.
Mental health in the UK Biobank: A roadmap to self‐report measures and neuroimaging correlates
Authors: Dutt Rosie K , Hannon Kayla , Easley Ty O , Griffis Joseph C , Zhang Wei , Bijsterbosch Janine D
Published: October 2021

The UK Biobank (UKB) is a highly promising dataset for brain biomarker research into population mental health due to its unprecedented sample size and extensive phenotypic, imaging, and biological measurements. In this study, we aimed to provide a shared foundation for UKB neuroimaging research into mental health with a focus on anxiety and depression. We compared UKB self‐report measures and revealed important timing effects between scan acquisition and separate online acquisition of some mental health measures. To overcome these timing effects, we introduced and validated the Recent Depressive Symptoms (RDS‐4) score which we recommend for state‐dependent and longitudinal research in the UKB. We furthermore tested univariate and multivariate associations between brain imaging‐derived phenotypes (IDPs) and mental health. Our results showed a significant multivariate relationship between IDPs and mental health, which was replicable. Conversely, effect sizes for individual IDPs were small. Test–retest reliability of IDPs was stronger for measures of brain structure than for measures of brain function. Taken together, these results provide benchmarks and guidelines for future UKB research into brain biomarkers of mental health.
High trans‐2‐Decalones by Photoredox Catalyzed β‐Isomerization
Authors: Sombret Juliette , Quintaine Julie , Biremond Tony , Barnes Quentin , de Saint‐Laumer Jean‐Yves , Saudan Lionel
Published: October 2021

The synergistic combination of three catalytic processes – photoredox, enamine and hydrogen atom transfer (HAT) catalysis – enabled the β‐isomerization of 2‐decalones towards the thermodynamically most stable trans‐isomers. A library of iridium (III) complexes and organic dyes were screened in combination with cyclic amines and thiols which after optimization gave the desired trans‐2‐decalones with high trans/cis ratios of 60 : 40 up to 98 : 2.
Strategic analysis of providing corporate sustainability open data
Authors: Helbig Raphaela , von Höveling Sven , Solsbach Andreas , Marx Gómez Jorge
Published: October 2021

How companies report their data is undergoing digitization and sustainable transformation. Sustainability is important; therefore, various stakeholders are interested in sustainability information. Companies provide the required information and strive toward the use of information systems to ensure efficient data processing. A possible approach for information provision is open data. This research introduces the idea of corporate sustainability open data (CSOD) as one new mechanism of companies' sustainability self‐reporting. Since CSOD is not yet commonly practiced by companies, a strategic analysis of the situation and its possible consequences is conducted with an analysis of strengths, weaknesses, opportunities, and threats. This research provides an overview of companies' sustainable development through open data. Moreover, it identifies drivers, challenges, and reasonable strategies for CSOD adoption. Thus, the research contributes to the establishment of an innovative application of open data in the private sector to support sustainable transformation worldwide.