bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrostatic‐Induced Crystal‐Rearrangement of Porous Organic Cage Membrane for CO2 Capture
Authors: Qu Kai , Xu Jipeng , Dai Liheng , Wang Yixing , Cao Hongyan , Zhang Dezhu , Wu Yulin , Xu Weiyi , Huang Kang , Lian Cheng , Guo Xuhong , Jin Wanqin , Xu Zhi
Published: May 2022

Porous Organic Cages (POCs) with tunable tailoring chemistry properties and polymer‐like processing conditions are of great potential for molecular selective membranes, but it remains challenging in the assembly of high crystalline POCs with regular nanochannels for effective molecular sieving. Here we report an electrostatic‐induced crystal‐rearrangement strategy for the design of a POC membrane with heterostructure. Due to electrostatic attraction, ionic liquid molecules induced cage molecules to rearrange into a sub‐10 nm uniform and defect‐free crystal layer, which displayed competitive CO2 separation performance. The optimized hetero‐structured membrane exhibited an attractive CO2/N2 separation selectivity of over 130, which was superior to the state‐of‐the‐art membranes, accompanied with excellent long‐term and thermal shock stability. This strategy provides a new inspiration for the preparation of crystal‐rearranged membranes with regular channels for gas molecule sieving.
Sirtuin‐Derived Covalent Binder for the Selective Recognition of Protein Crotonylation
Authors: Ji Yanli , Sun Lin , Chen Yao , Qin Hongqiang , Xuan Weimin
Published: May 2022

Lysine crotonylation (Kcr) is increasingly recognized as a key protein post‐translational modification. However, selective detection and enrichment of crotonylated proteins remains a challenging task. Herein we present a covalent binder for the selective recognition of protein crotonylation. Based on proximity‐induced crosslinking, a bacterial sirtuin (CobB) was remodeled with genetically installed thiol‐bearing noncanonical amino acids at the Kcr‐interacting site, which subsequently could react with Kcr sites in a unique NAD+‐dependent manner. The covalent binder has been used to selectively recognize crotonylated proteins in extracted histone samples and in fixed cells.
Electrochemical Preparation of Porous Organic Polymer Films for High‐Performance Memristors
Authors: Tao You , Liu Hui , Kong Hui‐Yuan , Wang Tian‐Xiong , Sun Huijuan , Li Yong Jun , Ding Xuesong , Sun Lianfeng , Han Bao‐Hang
Published: May 2022

Porous organic polymer films (PFs) with intrinsical porosity and tuneable pore environment are ideally suited for application in electronic devices. However, the huge challenges still exist for construction of electronic devices based on PFs owing to lack of robustness, processability, and controllable preparation. Herein, we report the electrochemical preparation of carbazole‐based porous organic polymer films (eCPFs) as switchable materials for the memristors. These eCPFs possess the characteristics of controllable thickness/size, high stability, and excellent porosity. Carbazole and cyano groups are introduced into the eCPFs to constructing electron transfer systems. Thus, the memristors constructed based on these eCPFs exhibit excellent switching performance, reliability, and reproducibility. The electrochemically controllable preparation method of porous organic polymer membranes proposed in this paper provides a feasible idea for the developments of electronic devices.
Diastereodivergent Synthesis of Cyclopentyl Boronic Esters Bearing Contiguous Fully Substituted Stereocenters
Authors: Fairchild Molly E. , Noble Adam , Aggarwal Varinder K.
Published: May 2022

The synthesis of molecules bearing two or more contiguous, quaternary stereocenters is challenging, owing to the difficulty in controlling stereochemistry whilst simultaneously constructing a sterically congested motif. Herein, we report the electrophile‐induced ring contractive 1,2‐metallate rearrangement of 6‐membered cyclic alkenyl boronate complexes for the synthesis of cyclopentyl boronic esters bearing two contiguous, fully substituted stereocenters with high levels of stereocontrol. Remarkably, simple variation of the reaction solvent enabled their diastereodivergent construction with facile access to complementary diastereomeric pairs. The utility of our methodology is demonstrated in the asymmetric total synthesis of (+)‐herbertene‐1,14‐diol.
Electrocatalytic Reduction of CO2 to Ethanol at Close to Theoretical Potential via Engineering Abundant Electron‐Donating Cuδ+ Species
Authors: Guo Chengying , Guo Yihe , Shi Yanmei , Lan Xianen , Wang Yuting , Yu Yifu , Zhang Bin
Published: May 2022

Electrochemical CO2 reduction to liquid multi‐carbon alcohols provides a promising way for intermittent renewable energy reservation and greenhouse effect mitigation. Cuδ+ (0<δ<1) species on Cu‐based electrocatalysts can produce ethanol, but the in situ formed Cuδ+ is insufficient and easily reduced to Cu0. Here a Cu2S1−x catalyst with abundant Cuδ+ (0<δ<1) species is designedly synthesized and exhibited an ultralow overpotential of 0.19 V for ethanol production. The catalyst not only delivers an outstanding ethanol selectivity of 86.9 % and a Faradaic efficiency of 73.3 % but also provides a long‐term stability of Cuδ+, gaining an economic profit based on techno‐economic analysis. The calculation and in situ spectroscopic results reveal that the abundant Cuδ+ sites display electron‐donating ability, leading to the decrease of the reaction barrier in the potential‐determining C−C coupling step and eventually making the applied potential close to the theoretical value.
Spontaneous Resolution of Helical Building Blocks through the Formation of Homochiral Helices in Two Dimensions
Authors: Lin Xiang , Kou Bohan , Cao Jinlian , Weng Peimin , Yan Xiaosheng , Li Zhao , Jiang Yun‐Bao
Published: May 2022

Spontaneous resolution leading to conglomerate crystals remains a significant challenge. Here we propose the formation of orthogonal homochiral supramolecular helices in at least two dimensions to allow spontaneous resolution. We suggest the design rationale that the chiral species is made into helical building blocks to allow the helix formation. As a proof‐of‐concept, acetylalanine was made into a helical short azapeptide, its N‐amidothiourea derivative containing a β‐turn structure, to which a halogen atom was further introduced at the phenylthiourea aromatic ring. The resultant folded species undergoes both intermolecular hydrogen and halogen bonding across the turn structure to form orthogonal intermolecular hydrogen‐bonded and halogen‐bonded supramolecular helices in two dimensions, and undergoes chiral resolution upon crystallization. Meanwhile, counterparts containing either an F‐substituent with weak halogen bonding or no halogen atom crystallize as racemic compounds.
Mesoporous Polyimide‐Linked Covalent Organic Framework with Multiple Redox‐Active Sites for High‐Performance Cathodic Li Storage
Authors: Yang Xiya , Gong Lei , Liu Xiaolin , Zhang Pianpian , Li Bowen , Qi Dongdong , Wang Kang , He Feng , Jiang Jianzhuang
Published: May 2022

Covalent organic frameworks (COFs) are gaining increasing attention as renewable cathode materials for Li‐ion batteries. However, COF electrodes reported so far still exhibit unsatisfying capacity due to their limited active site density and insufficient utilization. Herein, a new two‐dimensional polyimide‐linked COF, HATN‐AQ‐COF with multiple redox‐active sites for storing Li+ions, was designed and fabricated from a new module of 2,3,8,9,14,15‐hexacarboxyl hexaazatrinaphthalene trianhydrides with a 2,6‐diaminoanthraquinone linker. HATN‐AQ‐COF possessing excellent stability, good conductivity, and a large pore size of 3.8 nm enables the stable and fast ion transport. This, in combination with the abundant redox active sites, results in a high reversible capacity of 319 mAh g−1at 0.5 C (1 C=358 mA g−1) for the HATN‐AQ‐COF electrode with a high active site utilization of 89 % and good cycle performance, representing one of the best performances among the reported COF electrodes.
A Cobalamin‐Dependent Radical SAM Enzyme Catalyzes the Unique Cα‐Methylation of Glutamine in Methyl‐Coenzyme M Reductase
Authors: Gagsteiger Jana , Jahn Sören , Heidinger Lorenz , Gericke Lukas , Andexer Jennifer N. , Friedrich Thorsten , Loenarz Christoph , Layer Gunhild
Published: May 2022

Methyl‐coenzyme M reductase, which is responsible for the production of the greenhouse gas methane during biological methane formation, carries several unique posttranslational amino acid modifications, including a 2‐(S)‐methylglutamine. The enzyme responsible for the Cα‐methylation of this glutamine is not known. Herein, we identify and characterize a cobalamin‐dependent radical SAM enzyme as the glutamine C‐methyltransferase. The recombinant protein from Methanoculleus thermophilus binds cobalamin in a base‐off, His‐off conformation and contains a single [4Fe‐4S] cluster. The cobalamin cofactor cycles between the methyl‐cob(III)alamin, cob(II)alamin and cob(I)alamin states during catalysis and produces methylated substrate, 5′‐deoxyadenosine and S‐adenosyl‐l‐homocysteine in a 1 : 1 : 1 ratio. The newly identified glutamine C‐methyltransferase belongs to the class B radical SAM methyltransferases known to catalyze challenging methylation reactions of sp3‐hybridized carbon atoms.
Fe2+/Fe3+ Cycling for Coupling Self‐Powered Hydrogen Evolution and Preparation of Electrode Catalysts
Authors: Chen Chang , Fu Zhengqian , Qi Fenggang , Chen Yafeng , Meng Ge , Chang Ziwei , Kong Fantao , Zhu Libo , Tian Han , Huang Haitao , Cui Xiangzhi , Shi Jianlin
Published: May 2022

A novel Zn−Fe flow battery featuring an Fe3+ reduction reaction (Fe3+RR)‐coupled zinc oxidation, and an Fe2+ oxidation reaction (Fe2+OR)‐coupled hydrogen evolution reaction (HER) system as well, was established. This battery is capable of driving two Fe2+OR‐coupled HER systems in series based on the above Fe2+/Fe3+ cycling, for efficient self‐powered hydrogen evolution. Meanwhile, this Fe2+/Fe3+ cycling enables the preparation of a multifunctional catalyst, Pt‐3@SXNS (siloxene nanosheet), by the Fe2+OR‐promoted dispersion of Pt nanoparticles on SXNS; alternatively, this support could be obtained by Fe3+RR‐assisted exfoliation using Fe3+ from the anolyte of Fe2+OR‐coupled HER. The Pt‐3@SXNS catalyst exhibits excellent catalytic activities toward Fe3+RR in the Zn−Fe flow battery, HER, and Fe2+OR in the electrolyzer, which is attributed to the strong electronic interaction between Pt and Si. This work offers a new strategy for energy storage and low‐cost hydrogen production from acidic wastewater.
Robust 3D Copper Foam Functionalized with Gold Nanoparticles as Anode for High‐Performance Potassium Metal Batteries
Authors: Li Hongwei , Liu Yao , Wang Jianyi , Yan Wei , Zhang Jiujun
Published: May 2022

As a possible anode for the next generation of electrochemical energy storage batteries, potassium metal has attracted a great deal of attention in recent years. However, potassium metal batteries suffer from poor stability and low coulombic efficiency due to unfavorable dendrite growth and severe volume expansion of potassium metal anodes during charge and discharge processes. Here, a strategy is developed to inhibit dendrite growth, reduce volume expansion and improve the stability of the potassium metal anode by using three‐dimensional (3D) copper foam chemically loaded with a thin layer of uniform gold particles (Au/Cu) as the anode substrate. As the host of potassium deposition for forming K/Au/Cu foam anode, such a 3D copper foam with large specific surface area can reduce the potassium deposition current density. The gold particles on the Cu foam surface with a good affinity to potassium can reduce the potassium deposition overpotential, provide deposition sites and realize uniform and dense deposition. As a result, a stable cycle of more than 500 cycles is achieved by using such a K/Au/Cu foam anode. A full cell with K/Au/Cu foam anode and Prussian blue cathode delivers much better coulombic efficiency, cycle stability and low‐temperature performance when compared to that without gold deposition anode (K/Cu). Both the experimental characterization for material structure/morphology/composition and theoretical DFT calculations are carried out for fundamental understanding of the performance enhancement mechanism. The main advantages of this 3D K/Au/Cu foam are its potassiophilicity and less volume expansion during charge/discharge processes, which can reduce or eliminate the potassium dendrite growth through forming favorable and stable solid electrolyte interface.
Customer Assistance Programs and Water Affordability
Authors: Patterson Lauren A. , McLaughlin Aislinn , Doyle Martin W.
Published: May 2022

Key Takeaways

Water affordability is a growing concern, with inflation, aging infrastructure, source water protection, climate change, and other factors pushing up the cost of providing water.

Customer assistance program (CAP) rate discounts provide needed assistance but may not be sufficient to ensure that water services are affordable.

Rather than relying on one approach, such as CAPs, a combination of approaches might be optimal for addressing water affordability issues.
Transcriptional Analysis of Mice Melanoma B16‐F10 Cells in Response to Directed Current Electric Fields
Authors: Yun Jinlei , Jin Xiaoli , Sun Qin , Xu Linfeng , Gao Jing , Wang Xiaoyan , Zhao Sanjun
Published: May 2022

The endogenous electric field (EF) is widely observed among tissues. It is supposed to be an important environmental factor in tumor metastasis. To explore the role of endogenous EFs in tumor metastasis, the migration of mouse melanoma B16‐F10 cells in directed current EFs (dcEFs) was investigated. The transcriptome of melanoma B16‐F10 cells in response to EF stimulation was analyzed using RNA sequencing. The results demonstrated that the mouse melanoma B16‐F10 cells migrated toward the cathode in applied dcEFs. Directional migration occurred in a voltage‐dependent manner. Approximately 3000 upregulated and 2613 downregulated genes were identified under dcEF. Some genes correlated with cell migration, such as Serpine1, Ctgf, Fosb, and Fos, were upregulated. The signaling pathways involved in cell motility were significantly altered. Some genes, highly related to tumorigenesis, invasion, and metastasis, are upregulated in response to EF stimulation. Endogenous EFs may play a role in tumorigenesis and metastasis in vivo. © 2022 Bioelectromagnetics Society.
Electrochemical Exfoliation of Two‐Dimensional Phosphorene Sheets and its Energy Application
Authors: Shu Chengyong , Zhou Ph.D. Jiangqi , Jia Ph.D. Zhanhui , Zhang Hong , Liu Zhongxin , Tang Wei , Sun Xiaofei
Published: May 2022

Recently, single or few‐layer phosphorene has attracted intense attention due to its exceptional physicochemical properties. To this end, mass production of high‐quality phosphorene nanosheets with specific functionalities represents a pivotal factor for the basic academic studies and practical applications. Among the current synthetic methods, electrochemical exfoliation of black phosphorous is one of the most hopeful ways for mass‐production of phosphorene sheets owing to the uncomplicated apparatus, low cost as well as significant efficiency. Especially, regulating the electrochemical parameters not only induces adjustable phosphorene characteristics but also enables them a promising candidate in energy applications. In this Review, a concise and crucial studies of the recent and most representative developments in this domain was introduced, including the relationship between exfoliation philosophy, internal mechanisms, processing techniques, and multiple applications of phosphorene. At the end, a summary discussion and future perspectives is also provided.
Positive Cooperativity Induced by Interstrand Interactions in Silver(I) Complexes with α,α′‐Diimine Ligands
Authors: Zare Davood , Piguet Claude , Prescimone Alessandro , Housecroft Catherine E. , Constable Edwin C.
Published: May 2022

The allosteric positive cooperativity accompanying the formation of compact [CuI(α,α′‐diimine)2]+ building blocks contributed to the historically efficient synthesis of metal‐containing catenates and knotted assemblies. However, its limited magnitude can easily be overcome by the negative chelate cooperativity that controls the overall formation of related polymetallic multistranded helicates and grids. Despite the more abundant use of analogous dioxygen‐resistant [AgI(α,α′‐diimine)2]+ units in modern entangled metallo‐supramolecular assemblies, a related thermodynamic justification was absent. Solid‐state structural characterizations show the successive formation of [AgI(α,α′‐diimine)(CH3CN)][X] and [AgI(α,α′‐diimine)2][X] upon the stepwise reactions of α,α′‐diimine=2,2′‐bipyridine (bpy) or 1,10‐phenanthroline (phen) derivatives with AgX (X=BF4−, ClO4−, PF6−). In room‐temperature, 5–10 mM acetonitrile solutions, these cationic complexes exist as mixtures in fast exchange on the NMR timescale. Spectrophotometric titrations using the unsubstituted bpy and phen ligands point to the statistical (=non‐cooperative) binding of two successive bidentate ligands around AgI, a mechanism probably driven by the formation of hydrophobic belts, that overcomes the unfavorable decrease in the positive charge borne by the metallic cation. Surprisingly, the addition of methyl groups adjacent to the nitrogen donors (6,6′ positions in dmbpy; 2,9 positions in dmphen) induces positive cooperativity for the formation of [Ag(dmbpy)2]+ and [Ag(dmphen)2]+, a trend assigned to additional stabilizing interligand interactions. Adding rigid and polarizable phenyl side arms in [Ag(Brdmbpy)2]+ further reinforces the positively cooperative process, while limiting the overall decrease in metal–ligand affinity.
A High‐Valent Ru‐PCP Pincer Catalyst for Hydrogenation of Carbonyl and Carboxyl Compounds under Molecular Hydrogen
Authors: Mujahed Shrouq , Hey‐Hawkins Evamarie , Gelman Dmitri
Published: May 2022

Low‐valent metals traditionally dominate the domain of catalytic hydrogenation. However, metal‐ligand cooperating (MLC) catalytic systems, operating through heterolytic H−H bond splitting by a Lewis acidic metal and a basic ligand site, do not require an electron‐rich metal. On the contrary, high‐valent metals that induce weaker back donation facilitate heterolytic bond activation. Here we report, for the first time, the efficient hydrogenation of carbonyl and carboxyl compounds under molecular hydrogen catalyzed by a structurally well‐defined RuIV catalyst bearing a bifunctional PCP pincer ligand. The catalyst exhibits reactivity toward molecular hydrogen superior to that of the low‐valent analog and allows hydrogen activation even at room temperature.
Exchanged Metal‐Hydrogen Anagostic Bonds and Resonance of Dithiocarbamate and Thioureide Mesomers**
Authors: Sobczak Szymon , Roszak Kinga , Katrusiak Andrzej
Published: May 2022

The pressure‐induced transformation of plane‐square complex nickel(II) bis(N,N‐diethyldithiocarbamate) between its soft dithiocarbamate (form I) and thioureide (form II) mesomeres is coupled to the interchange of anagostic Ni⋅⋅⋅H−C interactions from methylene to the methyl group, respectively. At 1.23 GPa, the clearly visible giant anomalous compressibility of the crystal reveals a potential‐energy difference of 5.4 kJ mol−1 between the two complex forms. The structural and spectroscopic results, which are supported by quantum‐mechanical calculations, connect this solid‐state phase transition with the mesomeric transition, and this is accompanied by the conformational transformation of anagostic Ni⋅⋅⋅H−C rearrangement and formation of the charge‐assisted S−⋅⋅⋅H−C bond under pressure.
Reductive Elimination at Pb(II) Center of an (Amino)plumbylene‐Substituted Phosphaketene: New Pathway for Phosphinidene Synthesis
Authors: Timofeeva Vladislava , Baeza José Miguel Léon , Nougué Raphael , Syroeshkin Mikhail , Segundo Rojas Guerrero Rene , Saffon‐Merceron Nathalie , Altınbaş Özpınar Gül , Rathjen Saskia , Müller Thomas , Baceiredo Antoine , Kato Tsuyoshi
Published: May 2022

A stable (amino)plumbylene‐substituted phosphaketene 3 was synthesized by the successive reactions of PbCl2 with two anionic reagents (lithium amidophosphine and NaPCO). Of particular interest, the thermal evolution of 3, at 80 °C, leads to the transient formation of corresponding amino‐ and phosphanylidene‐phosphaketenes (6 and 7), via a reductive elimination at the PbII center forming new N−P and P−P bonds. Further evolution of 6 gives a new cyclic (amino)phosphanylidene phosphorane 4, which shows a unique reactivity as a phosphinidene. This result provides a new synthetic route to phosphinidenes, extending and facilitating further their access.
Catalytic Asymmetric Synthesis of Axially Chiral 3,3'‐Bisindoles by Direct Coupling of Indole Rings
Authors: Sheng Feng‐Tao , Yang Shuang , Wu Shu‐Fang , Zhang Yu‐Chen , Shi Feng
Published: May 2022

Comprehensive Summary

A new strategy for the enantioselective synthesis of axially chiral 3,3'‐bisindoles was devised by the direct coupling of two indole rings. This strategy makes use of the C3‐umpolung reactivity of 2‐indolylmethanols, which enables the catalytic asymmetric addition reaction of 2‐indolylmethanols with rationally designed 2‐substituted indoles, thus constructing axially chiral 3,3'‐bisindole scaffolds in overall excellent yields (up to 98%) with high enantioselectivities (up to 96 : 4 er). This approach not only has overcome the challenges in constructing axially chiral five‐five‐membered heterobiaryls, but also represents a new application of the C3‐umpolung reactivity of 2‐indolylmethanols in asymmetric catalysis. More importantly, this class of axially chiral 3,3'‐bisindoles can undergo a variety of post‐functionalizations to give axially chiral 3,3'‐bisindole‐based organocatalysts, which have found their preliminary applications in asymmetric catalysis.
A Core‐Linker‐Polyamine (CLP) Strategy Enables Rapid Discovery of Antileishmanial Aminoalkylquinolinecarboxamides That Target Oxidative Stress Mechanism
Authors: Shah Archana P. , Hura Neha , Kishore Babu Neerupudi , Roy Nibedita , Krishna Rao Vajja , Paul Anindita , Kumar Roy Pradyot , Singh Sushma , Guchhait Sankar K.
Published: May 2022

A Core‐Linker‐Polyamine (CLP) strategy has been exploited to develop new antileishmanial agents. It involves the linker‐based assembly of alkyl‐polyamine side chain as a potential pharmacophore motif with a privileged heterocyclic motif, 4‐arylquinoline. A series of aminoalkyl 4‐arylquinoline‐2‐carboxamides and their analogs were synthesized and tested against L. donovani promastigotes. Among all synthesized derivatives, 10 compounds showed significant antipromastigote activities with more efficacy (IC50: 4.75–8 μM) than an antileishmanial oral drug Miltefosine (IC50: 8.9±1.55 μM). Most active aminoalkyl‐quinoline‐carboxamides 9 a and 9 b, displayed negligible cytotoxicity towards human monocytic (THP‐1) macrophages. The compounds show antileishmanial activity by generating mitochondrial superoxide radicals. However, they did not show interference with trypanothione reductase, a redox enzyme of Leishmania. Significant change in the morphology of the L. donovani promastigote by the compounds was observed. The Structure‐activity relationship analysis suggest the pharmacophoric importance of alkylpolyamine and carboxamide motifs. In silico evaluation indicated that the investigated active molecules 9 a and 9 b possess important drug‐likeness, physicochemical and pharmacokinetic‐relevant properties.
Molecular analysis of ascitic fluid cytology reflects genetic changes of malignancies of the ovary equivalent to surgically resected specimens
Authors: Nozaki Takahiro , Sakamoto Ikuko , Kagami Keiko , Amemiya Kenji , Hirotsu Yosuke , Mochizuki Hitoshi , Omata Masao
Published: May 2022

BACKGROUND

The objective of this study was to identify the clinical utility of genomic analysis of ascitic fluid cytology (AC) in patients with epithelial ovarian cancer.

METHODS

Targeted next‐generation sequencing was used to analyze 66 samples from 33 patients who had ovarian (n = 23), fallopian tube (n = 2), and peritoneal (n = 8) carcinoma, and the concordance rate of molecular profiles was compared between surgically resected, formalin‐fixed, paraffin‐embedded (FFPE) tissues and AC samples.

RESULTS

In total, 159 mutations were identified (54 oncogenic mutations and 105 nononcogenic mutations) in 66 DNA samples (33 FFPE tissues and 33 AC samples) from 33 patients. Of the 159 mutations, 57 (35.8%) were shared between surgically resected FFPE tissues and AC samples. However, the concordance rate of the molecular profiles between the 2 was significantly higher for oncogenic mutations compared with nononcogenic mutations (85.1% vs 10.5%; P < .01). Indeed, the AC samples covered all oncogenic mutations (n = 46) that were detected in surgically resected specimens and identified additional mutations (n = 8).

CONCLUSIONS

The current results indicated that genomic analysis of AC can identify all of the genetic changes associated with epithelial ovarian cancer to understand tumor characteristics without interventional surgery or biopsy and may play an important role in developing personalized precision medicine.
Application of the Milan System for Reporting Salivary Gland Cytopathology: A systematic review and meta‐analysis
Authors: Wang Zhaoyang , Zhao Huan , Guo Huiqin , An Changming
Published: May 2022

Background

The Milan System for Reporting Salivary Gland Cytopathology (MSRSGC) is a standard, evidence‐based classification system for salivary gland fine‐needle aspiration (SG‐FNA). Since it was published in 2018, many researchers across the world have applied this uniform reporting system to their cohorts.

Methods

The authors comprehensively reviewed cohort studies conducted since publication of the MSRSGC and performed a meta‐analysis. The risk of neoplasm and the risk of malignancy (ROM) were calculated for each diagnostic category, and their diagnostic efficacy was evaluated.

Results

Thirty‐five studies were included in the meta‐analysis. The total number of SG‐FNAs was 10,706, and 7168 of those had histopathologic follow‐up. The ROM for each category was: nondiagnostic, 11.4%; nonneoplastic, 10.9%; atypia of undetermined significance, 30.5%; neoplasm–benign, 2.8%; neoplasm–salivary gland neoplasm of uncertain malignant potential, 37.7%; suspicious for malignancy, 83.8%; and malignant, 97.7%. Low‐level heterogeneity was observed in ROM estimation. The sensitivity, specificity, and diagnostic odds ratio for differentiating malignant and benign lesions were 88.0%, 98.5% and 520.3, respectively.

Conclusions

The reporting of SG‐FNA using the MSRSGC demonstrated high diagnostic accuracy. The ROM for each category was generally concordant with the recommendations, except for the suspicious for malignancy category, which was significantly higher than the reference value. The tiered, standardized classification system would benefit the clinical management of salivary gland lesions.
SITH: An R package for visualizing and analyzing a spatial model of intratumor heterogeneity
Authors: Nicol Phillip B. , Barabási Dániel L. , Coombes Kevin R. , Asiaee Amir
Published: May 2022

Cancer progression, including the development of intratumor heterogeneity, is inherently a spatial process. Mathematical models of tumor evolution may be a useful starting point for understanding the patterns of heterogeneity that can emerge in the presence of spatial growth. A commonly studied spatial growth model assumes that tumor cells occupy sites on a lattice and replicate into neighboring sites. Our R package SITH provides a convenient interface for exploring this model. Our efficient simulation algorithm allows for users to generate 3D tumors with millions of cells in under a minute. For the distribution of mutations throughout the tumor, SITH provides interactive graphics and summary plots. Additionally, SITH can produce synthetic bulk and single‐cell DNA‐seq datasets by sampling from the simulated tumor. A streamlined application programming interface (API) makes SITH a useful tool for investigating the relationship between spatial growth and intratumor heterogeneity. SITH is a part of CRAN and can be installed by running install.packages(“SITH”) from the R console. See https://CRAN.R‐project.org/package=SITH for the user manual and package vignette.
In Silico Optimization of Charge Separating Dyes for Solar Energy Conversion
Authors: Menzel Jan Paul , Boeije Yorrick , Bakker Tijmen M. A. , Belić Jelena , Reek Joost N. H. , de Groot Huub J. M. , Visscher Lucas , Buda Francesco
Published: May 2022

Dye‐sensitized photoelectrochemical cells are promising devices in solar energy conversion. However, several limitations still have to be addressed, such as the major loss pathway through charge recombination at the dye‐semiconductor interface. Charge separating dyes constructed as push‐pull systems can increase the spatial separation of electron and hole, decreasing the recombination rate. Here, a family of dyes, consisting of polyphenylamine donors, fluorene bridges, and perylene monoimide acceptors, was investigated in silico using a combination of semi‐empirical nuclear dynamics and a quantum propagation of photoexcited electron and hole. To optimize the charge separation, several molecular design strategies were investigated, including modifying the donor molecule, increasing the π‐bridge length, and decoupling the molecular components through steric effects. The combination of a triphenylamine donor, using an extended 2‐fluorene π‐bridge, and decoupling the different components by steric hindrance from side groups resulted in a dye with significantly improved charge separation properties in comparison to the original supramolecular complex.
A Recent Progress for the Synthesis of Thiocarboxylates
Authors: Wang Xi , Dong Zhi‐Bing
Published: May 2022

As a common and integral feature of many natural products, thiocarboxylates play an important role in biologically or pharmaceutically active compounds. Thiocarboxylates often show unique physiological activities in biology and drugs, which inspires many new therapeutic drugs. The related research and developments in thioester‐based medicinal chemistry have been a rapidly developing and increasingly active topic in the last two decades. In this review, we will summarize the main methods for the synthesis of thiocarboxylates, which might provide general ideas to access more effective thioester‐based drugs.
Riparian buffers can help mitigate biodiversity declines in oil palm agriculture
Authors: Deere Nicolas J , Bicknell Jake E , Mitchell Simon L , Afendy Aqilah , Baking Esther L , Bernard Henry , Chung Arthur YC , Ewers Robert M , Heroin Herry , Joseph Nellcy , Lewis Owen T , Luke Sarah H , Milne Sol , Fikri Arman Hadi , Parrett Jonathan M , Payne Melissa , Rossiter Stephen J , Vairappan Charles S , Vian Chaw Vi , Wilkinson Clare L , Williamson Joseph , Wong Andrew BH , Slade Eleanor M , Davies Zoe G , Struebig Matthew J
Published: May 2022

Agricultural expansion is a primary driver of biodiversity decline in forested regions of the tropics. Consequently, it is important to understand the conservation value of remnant forests in production landscapes. In a tropical landscape dominated by oil palm (Elaeis guineensis), we characterized faunal communities across eight taxa occurring within riparian forest buffers, which are legally protected alongside rivers, and compared them to nearby recovering logged forest. Buffer width was the main predictor of species richness and abundance, with widths of 40–100 m on each side of the river supporting broadly equivalent levels of biodiversity as compared to logged forest. However, width responses varied markedly among taxa, and buffers often lacked forest‐dependent species. Much wider buffers than are currently mandated are needed to safeguard most species. The largest biodiversity gains are achieved by increasing relatively narrow buffers. To provide optimal conservation outcomes in tropical production landscapes, we encourage policy makers to prescribe width requirements for key taxa and different landscape contexts.
Course‐based undergraduate research to advance environmental education, science, and resource management
Authors: Messager Mathis L , Comte Lise , Couto Thiago BA , Koontz Elliot D , Kuehne Lauren M , Rogosch Jane S , Stiling Rebekah R , Olden Julian D
Published: May 2022

Every year, field excursions engage students of ecology in experiential learning that results in wide‐ranging and well‐documented pedagogical benefits. Much less appreciated, however, is the potential for these excursions to contribute long‐term data that advance scientific knowledge and natural resource management. Here we explore this potential by providing a global synthesis of field data collection, mapping the geography, temporal extent, and type of data collected by students worldwide, and calling attention to the associated benefits and challenges for course instructors. We then offer perspectives on how undergraduate courses in ecology can more broadly contribute to science, management, and policy. Finally, we highlight how several aspects – namely, existing frameworks, resources, and networks; enhanced institutional support; and synergies with the broader science community – can help undergraduate ecology courses achieve their full potential for contributing to both education and science for society.
Disentangling the effects of traits with shared clustered genetic predictors using multivariable Mendelian randomization
Authors: Batool Fatima , Patel Ashish , Gill Dipender , Burgess Stephen
Published: May 2022

When genetic variants in a gene cluster are associated with a disease outcome, the causal pathway from the variants to the outcome can be difficult to disentangle. For example, the chemokine receptor gene cluster contains genetic variants associated with various cytokines. Associations between variants in this cluster and stroke risk may be driven by any of these cytokines. Multivariable Mendelian randomization is an extension of standard univariable Mendelian randomization to estimate the direct effects of related exposures with shared genetic predictors. However, when genetic variants are clustered, due to being located in a single genetic region, a Goldilocks dilemma arises: including too many highly‐correlated variants in the analysis can lead to ill‐conditioning, but pruning variants too aggressively can lead to imprecise estimates or even lack of identification. We propose multivariable methods that use principal component analysis to reduce many correlated genetic variants into a smaller number of orthogonal components that are used as instrumental variables. We show in simulations that these methods result in more precise estimates that are less sensitive to numerical instability due to both strong correlations and small changes in the input data. We apply the methods to demonstrate the most likely causal risk factor for stroke at the chemokine gene cluster is monocyte chemoattractant protein‐1.
Astrocyte‐derived adenosine excites sleep‐promoting neurons in the ventrolateral preoptic nucleus: Astrocyte‐neuron interactions in the regulation of sleep
Authors: Choi In‐Sun , Kim Jae‐Hong , Jeong Ji‐Young , Lee Maan‐Gee , Suk Kyoungho , Jang Il‐Sung
Published: May 2022

Although ATP and/or adenosine derived from astrocytes are known to regulate sleep, the precise mechanisms underlying the somnogenic effects of ATP and adenosine remain unclear. We selectively expressed channelrhodopsin‐2 (ChR2), a light‐sensitive ion channel, in astrocytes within the ventrolateral preoptic nucleus (VLPO), which is an essential brain nucleus involved in sleep promotion. We then examined the effects of photostimulation of astrocytic ChR2 on neuronal excitability using whole‐cell patch‐clamp recordings in two functionally distinct types of VLPO neurons: sleep‐promoting GABAergic projection neurons and non‐sleep‐promoting local GABAergic neurons. Optogenetic stimulation of VLPO astrocytes demonstrated opposite outcomes in the two types of VLPO neurons. It led to the inhibition of non‐sleep‐promoting neurons and excitation of sleep‐promoting neurons. These responses were attenuated by blocking of either adenosine A1 receptors or tissue‐nonspecific alkaline phosphatase (TNAP). In contrast, exogenous adenosine decreased the excitability of both VLPO neuron populations. Moreover, TNAP was expressed in galanin‐negative VLPO neurons, but not in galanin‐positive sleep‐promoting projection neurons. Taken together, these results suggest that astrocyte‐derived ATP is converted into adenosine by TNAP in non‐sleep‐promoting neurons. In turn, adenosine decreases the excitability of local GABAergic neurons, thereby increasing the excitability of sleep‐promoting GABAergic projection neurons. We propose a novel mechanism involving astrocyte‐neuron interactions in sleep regulation, wherein endogenous adenosine derived from astrocytes excites sleep‐promoting VLPO neurons, and thus decreases neuronal excitability in arousal‐related areas of the brain.
The outcomes of Thirsty? Choose Water! Determining the effects of a behavioural and an environmental intervention on water and sugar sweetened beverage consumption in adolescents: A randomised controlled trial
Authors: Gowland‐Ella Justine , Batchelor Samantha , David Michael , Lewis Peter , Kajons Nicole
Published: May 2022

Issue addressed

Childhood obesity is a serious public health challenge. Consumption of sugar‐sweetened beverages (SSBs) is one contributing factor, with adolescents being the highest consumers.

Methods

This study used a randomised controlled trial and two‐by‐two factorial design to determine the effectiveness of a school‐based behavioural intervention (including education/promotional messages) and/or environmental intervention (chilled water station), on encouraging adolescents to choose water instead of SSBs. Sixty‐one secondary schools (n = 8992 eligible students year 7 student) were recruited and randomly allocated to one of four study groups, the behavioural intervention, the environmental intervention, both interventions or neither.

Results

The primary outcome was increased water consumption; secondary outcomes included changes in students' knowledge and attitudes about water and SSBs and changes in SSB consumption. For students who received at least one intervention there was an increased odds (though not statistically significant) of higher water consumption compared to those that received no intervention. There was a decrease in SSB consumption for students who received both interventions combined (OR: 0.67; 95% confidence interval: 0.55‐0.082; P < .01).

Conclusions

The combined intervention had a greater effect on decreasing SSBs consumption. This is noteworthy given SSBs are a key contributor to overweight and obesity.

So what?

To our knowledge this is the first Australian study examining combined school‐based interventions to specifically promote the consumption of water and decrease the consumption of SSBs in adolescents. The study findings add to the evidence regarding the benefits of delivering multicomponent school‐based interventions which add value to existing interventions that address the complex public health issue of overweight and obesity.
Iron overload‐induced ferroptosis of osteoblasts inhibits osteogenesis and promotes osteoporosis: An in vitro and in vivo study
Authors: Jiang Zengxin , Wang Hao , Qi Guobin , Jiang Chang , Chen Kangning , Yan Zuoqin
Published: May 2022

Growing evidence indicates that iron overload is an independent risk factor for osteoporosis. However, the mechanisms are not fully understood. The purpose of our study was to determine whether iron overload could lead to ferroptosis in osteoblasts and to explore whether ferroptosis of osteoblasts is involved in iron overload‐induced osteoporosis in vitro and in vivo. Ferric ammonium citrate was used to mimic iron overload conditions, while deferoxamine and ferrostatin‐1 were used to inhibit ferroptosis of MC3T3‐E1 cells in vitro. The ferroptosis, osteogenic differentiation and mineralization of MC3T3‐E1 cells were assessed in vitro. A mouse iron overload model was established using iron dextran. Immunohistochemical analysis was performed to determine ferroptosis of osteoblasts in vivo. Enzyme‐linked immunosorbent assays and calcein–alizarin red S labelling were used to assess new bone formation. Dual x‐ray absorptiometry, micro‐computed tomography and histopathological analysis were conducted to evaluate osteoporosis. The results showed that iron overload reduced cell viability, superoxide dismutase and glutathione levels, increased reactive oxygen species generation, lipid peroxidation, malondialdehyde levels and ferroptosis‐related protein expression, and induced ultrastructural changes in mitochondria. Iron overload could also inhibit osteogenic differentiation and mineralization in vitro. Inhibiting ferroptosis reversed the changes described above. Iron overload inhibited osteogenesis, promoted the ferroptosis of osteoblasts and induced osteoporosis in vivo, which could also be improved by deferoxamine and ferrostatin‐1. These results demonstrate that ferroptosis of osteoblasts plays a crucial role in iron overload‐induced osteoporosis. Maintaining iron homeostasis and targeting ferroptosis of osteoblasts might be potential measures of treating or preventing iron overload‐induced osteoporosis.
Surface modification of acrylic coating with anti‐corrosion and anti‐UV materials
Authors: Rezaei Abadchi Majid , Mirzaee Majid , Dorkhani Erfan , Zolriasatein Ashkan , Noori Nastaran Riahi
Published: May 2022

The use of organic coatings is the most common method of corrosion protection of metal structures in aggressive environments which act as a barrier between the corrosive environment and the metal structure. In this work, to increase the corrosion resistance and UV resistance of steel structures, an acrylic coating containing titanium oxide (TiO2), zinc phosphate (ZP), and benzophenone was used and the coating was characterized by open circuit potential (OCP) techniques, electrochemical impedance spectroscopy (EIS), dynamic polarization, Adhesive strength, salt spray, and UV weathering. The results showed that in the case of the acrylic sample, it has poor corrosion resistance and requires the presence of nanofillers. With the presence of TiO2 nanofillers, microporous and other defects were effectively blocked and the penetration of corrosive components into the interface of the metal coating and substrate was prevented. In the presence of ZP along with TiO2, all anodic and cathodic sites were coated with a film consisting of inhibitors released from zinc phosphate nanoparticles and thus acted as a barrier against electrolyte penetration into active metal sites. With the presence of an anti‐UV agent, benzophenone partially blocked surface defects and along with corrosion products prevented a sharp drop in resistance over longer periods.
Legitimacy, incipience, and perception of informal social control of intimate partner violence: Experiment on a Korean parent sample
Authors: Emery Clifton R. , Abdullah Alhassan , Wu Shali
Published: May 2022

Evidence from a growing research literature on the causes and effects of informal social control (ISC) and bystander interventions carried out by nonprofessionals against intimate partner violence (IPV) shows anomalies and unexplained counterintuitive findings. This study employs a new experimental vignette design to examine the hypothesis: high bystander legitimacy (in the eyes of potential perpetrators) will moderate the effects of (1) incipient ISC and (2) perceived ISC, on parent's self‐estimated likelihood of perpetrating IPV. The data consist of 210 rural Korean parents randomly drawn from Kyunggi province using a three‐stage cluster probability proportional to size approach. Parents were randomly assigned to low and high incipient ISC, perceived ISC, and collective legitimacy conditions, following a 2 × 2 × 2 experimental vignette approach. Hypotheses were tested using regression models with standard errors corrected for district clusters. Incipient ISC was associated with significantly less self‐estimated likelihood of perpetrating IPV. An interaction between high bystander legitimacy and incipient ISC was negative (B = −8.88, p < 0.01). The interaction between perceived ISC and legitimacy was not significant. However, the interaction between perceived ISC and female gender was positively associated with self‐estimated likelihood of perpetrating IPV (B = 8.61, p < 0.05). The findings suggest that the presence of a legitimate bystander (whom the potential perpetrator believes has a legitimate right to be concerned about his or her family) may deter parents from perpetrating IPV. Programs to boost ISC and bystander intervention should include modules that strengthen collective legitimacy.
Catalytic oxidation of toluene by metal phthalocyanine loaded on cordierite honeycomb
Authors: Wang Yajuan , Liu Wenqiang , Zhang Juan , Bian Yuhang
Published: May 2022

BACKGROUND

As one of the common VOCs, toluene is not only hazardous to human health, leading to respiratory disease, cancers, but also harmful to the environment, causing destruction of the ozone layer, photochemical smog and global warming. Catalytic oxidation is one of the most advanced technologies for eliminating VOCs and can convert VOCs to benign components such as carbon dioxide (CO2) and water. As catalysts are important in the catalytic process, finding highly active, low cost catalysts is critical. Metal phthalocyanine(MPc) has potential practical value and wide application prospects as catalysts for its uniquely high catalytic activity and selectivity. Thus, four monolithic catalysts were prepared by impregnating MPc onto cordierite honeycomb.

RESULTS

Characterization by scanning electron microscopy, X‐ray diffraction, Fourier transform infrared and energy‐dispersive X‐ray spectroscopy showed that the metal phthalocyanines were successfully loaded on the cordierite honeycomb. A fixed‐bed reactor was used to examine the catalytic oxidation effects of metal phthalocyanine species, catalyst amount, feed concentration, feed flow and temperature on toluene. The result showed that the catalytic activity of phthalocyanine iron (FePc) to toluene was better than other three MPcs. The optimal reaction conditions were 120 mg catalyst, 6.3 × 10−3 mol m−3feed concentration and 250 mL min−1 feed flow. The conversion of toluene increased with increasing temperature.

CONCLUSION

FePc/C also had a good catalytic oxidation effect on different aromatic hydrocarbon compounds (benzene and 1,4‐dimethyl‐benzene). The oxidation products of the catalytic system were CO2 and H2O, which met the requirements of green chemistry. FePc/C is a promising catalytic material because it has high catalytic activity and can be operated in simple conditions, such as low temperatures. © 2022 Society of Chemical Industry (SCI).