bluuebunny/crossref_metadata_2025 huggingface dataset:
Organic matter estimation of surface soil using successive projection algorithm
Authors: Liu Jinbao , Xie Jiancang , Meng Tingting , Dong Hao
Published: October 2021

Soil organic matter (SOM) affects circulation and stability of the soil C pool, and plays a key role in global C change and local ecological balance. Timely and accurate acquisition of large‐scale farmland soil organic carbon (SOC) information is of great significance to the study of SOC reserves and distribution, farmland soil ecological security, and scientific crop management. In this study, we have evaluated the potentiality of visible‐near‐infrared spectroscopy to along with machine learning algorithms to predict SOM content. At present, soil characterization is mainly focused on hyperspectral data measured by remote‐sensing spectral index and spectrometer. This article aims to establish a statistical machine‐learning model to study the efficiency of spectral data to comprehensively evaluate SOM. The results show that after transforming the different forms of the original spectrum and combining with successive projection algorithm (SPA), the characteristic wavelength of organic matter at 350–2,500 nm can be effectively extracted. A combination of spectroscopy and chemometrics techniques can be used as a practical, rapid, low‐cost, and quantitative method to evaluate SOM. Based on SPA, partial least squares regression, support vector machine, random forest, a SOM prediction model with optimal characteristic wavelength is constructed. The best spectral processing method is continual removal combined with SPA, the validation coefficient of determination, root mean square error prediction, and ratio of performance deviation values are 0.82, 1.12, and 2.87, respectively.
Sugarcane yield response to potassium fertilization as related to extractable soil potassium on Florida mineral soils
Authors: McCray J. Mabry , Ji Shangning , Alvarado Joaquin Saavedra
Published: October 2021

Potassium (K) is required in large amounts for sugarcane (Saccharum spp.), but K is rapidly leached in Florida mineral soils, which account for 29% of sugarcane production in the state. This study was conducted to (a) determine sucrose yield response to K fertilizer rates from 0 to 279 kg K ha–1, and (b) relate sucrose yield to soil‐extractable K on Florida mineral soils using 0.5 M acetic acid, 0.7 M ammonium acetate, and Mehlich 3. Field small‐plot (83 or 121 m2) trials were conducted at six locations including three Spodosols, two Alfisols, and one Entisol. All experiments were randomized complete block designs with seven K fertilizer rates and six replications. Potassium was applied as granular muriate of potash with four split applications for plant cane and three splits for ratoon crops. Significant sucrose yield responses were determined at five of six locations and all sites had insufficient K without K fertilizer application. Relative sucrose yield reached a plateau at leaf concentration of 8.2 g K kg–1. Linear and quadratic models were used to determine that K fertilizer requirement ranged from 139 to 232 kg K ha–1. Relationships among soil K with the three extractants were strong and indicated that any of these could be used to determine available soil K. Relationships of extractable soil K with relative sucrose yield and leaf K concentration were developed that can be used to develop a calibrated soil test for Florida mineral soils.
Simulation studies on a rotating ring disk electrode: Effects of ionic migration with kinetic complication‐disk results
Authors: Guha Sirshendu
Published: October 2021

In continuation to my previous work (Guha S. AIChE J. 2013;59(4):1390‐1399), in this work, effects of ionic migration are evaluated for disk region of a rotating ring disk electrode system by numerically solving complex differential equations, developed for mass transfer along with kinetic complication in presence of ionic migration under limiting current condition. The system for simulation is 0.01 M Fe2(SO4)3 solution with H2SO4 as supporting electrolyte. Simulation cases are presence and absence of ionic migration with kinetic complication (oxidation of Fe2+ to Fe3+ under O2 pressure). Results show that concentration boundary layer thickness of reactant Fe3+ reduces appreciably and steady‐state disk current reduces substantially in presence of migration. Simulated steady‐state disk current in absence of migration case agrees well with published data. Results indicate higher Fe2+ concentration in presence of migration and thereby higher rate of oxidation of Fe2+ to Fe3+ at all rate constant values.
Experiment and computational fluid dynamics investigation of biochar elutriation in fluidized bed
Authors: Lu Liqiang , Li Cheng , Rowan Steven , Hughes Bryan , Gao Xi , Shahnam Mehrdad , Rogers William A.
Published: October 2021

In fluidized bed biomass fast pyrolysis, the biomass is converted to biochar and elutriated. The elutriation rate is a key parameter in reactor designs and operations. This research presents a video‐based continuous measurement of biochar elutriation rate in a fluidized bed with sands and biomass as bed materials. The fluidized bed is simulated with the computational fluid dynamics—coarse‐grained discrete element method (CFD‐CGDEM) in MFiX. The fluidization behavior of nonspherical sands can be more accurately captured when a rolling friction model is used. The predicted elutriation rate is close to the experimental measurement when the particle size distributions are considered and the filtered drag with a shape correction is used. These results validated the accuracy of the MFiX‐based CFD framework for the prediction of biochar elutriations in the fluidized bed biomass fast pyrolysis reactor.
Mechanism studies on the cellular internalization of nanoparticles using computer simulations: A review
Authors: Feng Yun Hao , Chen Bo Zhi , Fei Wen Min , Cui Yong , Zhang Can Yang , Guo Xin Dong
Published: October 2021

Nanomaterial drug delivery systems have become one of the most important targeted therapy technologies. Although great efforts have been made to study the self‐assembled mesoscopic structure of nanoparticles and understand drug loading and release mechanisms, the interaction between nanoparticles and cell membranes has not yet been clearly studied. Moreover, the research of experimental methods in this field has been greatly restricted due to its special time–space scale, so it is necessary to apply computer simulations to visualize the cell internalization of the nanoparticle. This review covers modeling methods and the current status and viewpoints of research on the influencing factors of the nanoparticle–biomembrane interaction mechanism. In particular, we discussed in detail the positive and negative effects of various nanoparticle properties. This article may assist researchers in rationally optimize the nanoparticle structure to improve therapeutic efficiency.
A recurrent rare intronic variant in CAPN3 alters mRNA splicing and causes autosomal recessive limb‐girdle muscular dystrophy‐1 in three Pakistani pedigrees
Authors: Khan Kamal , Mehmood Sarmad , Liu Chunyu , Siddiqui Maimoona , Ahmad Arsalan , Faiz Belqees Yawar , Chioza Barry A. , Baple Emma A. , Ullah Muhammad I. , Akram Zaineb , Satti Humayoon S. , Khan Raees , Harlalka Gaurav V. , Jameel Muhammad , Akram Talia , Baig Shahid M. , Crosby Andrew H. , Hassan Muhammad J. , Zhang Feng , Davis Erica E. , Khan Tahir N.
Published: October 2021

Autosomal recessive limb‐girdle muscular dystrophy‐1 (LGMDR1) is an autosomal recessive disorder characterized by progressive weakness of the proximal limb and girdle muscles. Biallelic mutations in CAPN3 are reported frequently to cause LGMDR1. Here, we describe 11 individuals from three unrelated consanguineous families that present with typical features of LGMDR1 that include proximal muscle wasting, weakness of the upper and lower limbs, and elevated serum creatine kinase. Whole‐exome sequencing identified a rare homozygous CAPN3 variant near the exon 2 splice donor site that segregates with disease in all three families. mRNA splicing studies showed partial retention of intronic sequence and subsequent introduction of a premature stop codon (NM_000070.3: c.379 + 3A>G; p.Asp128Glyfs*15). Furthermore, we observe reduced CAPN3 expression in primary dermal fibroblasts derived from an affected individual, suggesting instability and/or nonsense‐mediated decay of mutation‐bearing mRNA. Genome‐wide homozygosity mapping and single‐nucleotide polymorphism analysis identified a shared haplotype and supports a possible founder effect for the CAPN3 variant. Together, our data extend the mutational spectrum of LGMDR1 and have implications for improved diagnostics for individuals of Pakistani origin.
Athermal, Chemically Triggered Release of RNA from Thioester Nucleic Acids
Authors: Mavila Sudheendran , Culver Heidi R. , Anderson Alex J. , Prieto Tania R. , Bowman Christopher N.
Published: October 2021

An athermal approach to mRNA enrichment from total RNA using a self‐immolative thioester linked nucleic acids (TENA) is described. Oligo(thymine) (oT) TENA has a six‐atom spacing between bases which allowed TENA to selectively base‐pair with polyadenine RNA. As a result of the neutral backbone of TENA and the hydrophobicity of the octanethiol end group, oT TENA is water insoluble and efficiently pulled down 93±2 % of EGFP mRNA at a concentration of 10 ng μL−1. Self‐immolative degradation of TENA upon ambient temperature exposure to nucleophilic buffer components (Tris, DTT) allowed recovery of 55±27 ng of mRNA from 3.1 μg of total RNA, which was not statistically different from the amount recovered using Dynabeads® mRNA DIRECT Kit (89±24 ng). Gene expression as measured by RT‐qPCR was comparable for both enrichment methods, suggesting that the mild conditions required for enrichment of mRNA using oT TENA are compatible with RT‐qPCR and other downstream molecular biology applications.
Transition‐Metal‐Catalyzed Annulations Involving the Activation of C(sp3)−H Bonds
Authors: Font Marc , Gulías Moisés , Mascareñas José Luis
Published: October 2021

The selective functionalization of C(sp3)−H bonds using transition‐metal catalysis is among the more attractive transformations of modern synthetic chemistry. In addition to its inherent atom economy, such reactions open unconventional retrosynthetic pathways that can streamline synthetic processes. However, the activation of intrinsically inert C(sp3)−H bonds, and the selection among very similar C−H bonds, represent highly challenging goals. In recent years there has been notable progress tackling these issues, especially with regard to the development of intermolecular reactions entailing the formation of C−C and C−heteroatom bonds. Conversely, the assembly of cyclic products from simple acyclic precursors using metal‐catalyzed C(sp3)−H bond activations has been less explored. Only recently has the number of reports on such annulations started to grow. Herein we give an overview of some of the more relevant advances in this exciting topic.
Near‐Equilibrium Growth of Chemically Stable Covalent Organic Framework/Graphene Oxide Hybrid Materials for the Hydrogen Evolution Reaction
Authors: Bai Yichao , Liu Youxing , Liu Minghui , Wang Xinyu , Shang Shengcong , Gao Wenqiang , Du Changsheng , Qiao Yan , Chen Jianyi , Dong Jichen , Liu Yunqi
Published: October 2021

Facile synthesis and post‐processing of covalent organic frameworks (COFs) under mild synthetic conditions are highly sought after and important for widespread utilizations in catalysis and energy storage. Here we report the synthesis of the chemically stable aza‐fused COFs BPT‐COF and PT‐COF by a liquid‐phase method. The process involves the spontaneous polycondensation of vicinal diamines and vicinal diketones, and is driven by the near‐equilibrium growth of COF domains at a very low monomer concentration. The method permits in situ assembly of COFs and COF‐GO hybrid materials and leads to the formation of a uniform conducting film on arbitrary substrates on vacuum filtration. When used as electrocatalysts, the as‐prepared membranes show a fast hydrogen evolution reaction (HER) with a low overpotential (45 mV at 10 mA cm−2) and a small Tafel slope (53 mV dec−1), which are the best among metal‐free catalysts. Our results may open a new route towards the preparation of highly π‐conjugated COFs for multifunctional applications.
Secondary Structure Tuning of a Pseudoprotein Between β‐Meander and α‐Helical Forms in the Solid‐State
Authors: Athiyarath Vignesh , Madhusudhanan Mithun C. , Kunnikuruvan Sooraj , Sureshan Kana M.
Published: October 2021

Tuning the secondary structure of a protein or polymer in the solid‐state is challenging. Here we report the topochemical synthesis of a pseudoprotein and its secondary structure tuning in the solid‐state. We designed the dipeptide monomer N3‐Leu‐Ala‐NH‐CH2‐C≡CH (1) for topochemical azide‐alkyne cycloaddition (TAAC) polymerization. Dipeptide 1 adopts an anti‐parallel β‐sheet‐like stacked arrangement in its crystals. Upon heating, the dipeptide undergoes quantitative TAAC polymerization in a crystal‐to‐crystal fashion yielding large polymers. The reaction occurs between the adjacent monomers in the H‐bonded anti‐parallel stack, yielding pseudoprotein having a β‐meander structure. When dissolved in methanol, this pseudoprotein changes its secondary structure from β‐meander to α‐helical form and it retains the new secondary structure upon desolvation. This work demonstrates a novel paradigm for tuning the secondary structure of a polymer in the solid‐state.
Atomistic Insights of Irreversible Li+ Intercalation in MnO2 Electrode
Authors: He Kun , Yuan Yifei , Yao Wentao , You Kun , Dahbi Mouad , Alami Jones , Amine Khalil , Shahbazian‐Yassar Reza , Lu Jun
Published: October 2021

Tunnel‐structured MnO2 represents open‐framed electrode materials for reversible energy storage. Its wide application is limited by its poor cycling stability, whose structural origin is unclear. We tracked the structure evolution of β‐MnO2 upon Li+ ion insertion/extraction by combining advanced in situ diagnostic tools at both electrode level (synchrotron X‐ray scattering) and single‐particle level (transmission electron microscopy). The instability is found to originate from a partially reversible phase transition between β‐MnO2 and orthorhombic LiMnO2 upon lithiation, causing cycling capacity decay. Moreover, the MnO2/LiMnO2 interface exhibits multiple arrow‐headed disordered regions, which severely chop into the host and undermine its structural integrity. Our findings could account for the cycling instability of tunnel‐structured materials, based on which future strategies should focus on tuning the charge transport kinetics toward performance enhancement.
A series of nanoscaled Pt(0)‐phosphorus ylide complexes based on [60]fullerene: Synthesis, characterization, and in vitro biological assessments
Authors: Yousefi Abed , Sabounchei Seyyed Javad , Moazzami Farida Seyed Hamed , Rahmani Nosrat
Published: October 2021

Herein, A type of Pt(0) complexes based on fullerene C60including phosphorus ylides as monodentate ligands, [(η2‐C60)Pt(Y1–4)2] (Y1 = PPh3CHC(O)C6H4‐p‐NO2,Y2 = PPh3CHC(O)C6H4‐p‐CH3,Y3 = (p‐tolyl)3P‐CHC(O)C6H4‐p‐NO2,Y4 = (p‐tolyl)3P‐CHC(O)C6H4‐p‐CH3), were synthesized via adding of related monodentate phosphorus ylide to toluene solution of C60and Pt (dba)2(dba = dibenzylideneacetone). The structures were identified using IR, NMR (1H,13C, and31P), UV–visible, ESI‐MS, and EDX spectroscopies, thermal curve TGA, and electron microscopic images (scanning electron microscopy, SEM, and transmission electron microscopy, TEM). The molecular structure of complexes clearly shows that two ylidic ligands in acisconfiguration and two hexagons of C60in the junction[6,6] coordinate to Pt(0) metal center. These complexes were treated as biological agents in antibacterial, antioxidant, and anticancer assessments. Three Gram‐negative (Escherichia coli,Salmonella typhimurium, andShigella dysenteriae) and three Gram‐positive bacteria (Bacillus subtilis,Bacillus cereus, andStaphylococcus aureus) were used for antibacterial investigation. The activities of complexes against cancer cells were also tested using AGS (gastric carcinoma), A549 (non‐small lung carcinoma), and MCF‐7 (breast carcinoma) cell lines. All biological studies on synthesized nanocomplexes showed promising effects in comparison with standards.
2‐Substituted thienotetrahydropyridine derivatives: Allosteric ectonucleotidase inhibitors
Authors: Schäkel Laura , Mirza Salahuddin , Pietsch Markus , Lee Sang‐Yong , Keuler Tim , Sylvester Katharina , Pelletier Julie , Sévigny Jean , Pillaiyar Thanigaimalai , Namasivayam Vigneshwaran , Gütschow Michael , Müller Christa E.
Published: October 2021

The antithrombotic prodrugs ticlopidine and clopidogrel are thienotetrahydro‐pyridine derivatives that are metabolized in the liver to produce thiols that irreversibly block adenosine diphosphate (ADP)‐activated P2Y12 receptors on thrombocytes. In their native, nonmetabolized form, both drugs were reported to act as inhibitors of ectonucleoside triphosphate diphosphohydrolase‐1 (NTPDase1, CD39). CD39 catalyzes the extracellular hydrolysis of nucleoside tri‐ and diphosphates, mainly adenosine 5ʹ‐triphosphate (ATP) and ADP, yielding adenosine monophosphate, which is further hydrolyzed by ecto‐5ʹ‐nucleotidase (CD73) to produce adenosine. While ATP has proinflammatory effects, adenosine is a potent anti‐inflammatory, immunosuppressive agent. Inhibitors of CD39 and CD73 have potential as novel checkpoint inhibitors for the immunotherapy of cancer and infection. In the present study, we investigated 2‐substituted thienotetrahydropyridine derivatives, structurally related to ticlopidine, as CD39 inhibitors. Due to their substituent on the 2‐position, they will not be metabolically transformed into reactive thiols and can, therefore, be expected to be devoid of P2Y12 receptor‐antagonistic activity in vivo. Several of the investigated 2‐substituted thienotetrahydropyridine derivatives showed concentration‐dependent inhibition of CD39. The most potent derivative, 32, showed similar CD39‐inhibitory potency to ticlopidine, both acting as allosteric inhibitors. Compound 32 showed an improved selectivity profile: While ticlopidine blocked several NTPDase isoenzymes, 32 was characterized as a novel dual inhibitor of CD39 and CD73.
A comparative mixed methods study on health information seeking among US‐born/US‐dwelling, Korean‐born/US‐dwelling, and Korean‐born/Korean‐dwelling mothers
Authors: Lee Hanseul Stephanie , Smith Catherine Arnott
Published: October 2021

More knowledge and a better understanding of health information seeking are necessary, especially in these unprecedented times due to the COVID‐19 pandemic. Using Sonnenwald's theoretical concept of information horizons, this study aimed to uncover patterns in mothers' source preferences related to their children's health. Online surveys were completed by 851 mothers (255 US‐born/US‐dwelling, 300 Korean‐born/US‐dwelling, and 296 Korean‐born/Korean‐dwelling), and supplementary in‐depth interviews with 24 mothers were conducted and analyzed. Results indicate that there were remarkable differences between the mothers' information source preference and their actual source use. Moreover, there were many similarities between the two Korean‐born groups concerning health information‐seeking behavior. For instance, those two groups sought health information more frequently than US‐born/US‐dwelling mothers. Their sources frequently included blogs or online forums as well as friends with children, whereas US‐born/US‐dwelling mothers frequently used doctors or nurses as information sources. Mothers in the two Korean‐born samples preferred the World Wide Web most as their health information source, while the US‐born/US‐dwelling mothers preferred doctors the most. Based on these findings, information professionals should guide mothers of specific ethnicities and nationalities to trustworthy sources considering both their usage and preferences.
Concurrent Polyvalent Interaction and Electrocatalysis to Improve Lithium‐Sulfur Battery Performance
Authors: Kumar Subramani , Krishnamoorthy Kothandam
Published: October 2021

Batteries with improved efficiency are desired. Li−S batteries are attractive due to their high specific capacity and energy density. However, sluggish sulfur redox reaction and polysulfide dissolution are significant challenges in Li−S batteries. In this work, we report graphene with doped layer to electrocatalyze the sluggish sulfur redox reaction. The doped layer comprises heteroatoms such as either N or N and S. The doped layer also comprises cations of Ni. We have chosen a “doped layer on graphene” over “doped graphene” to avoid defects in the basal plane of graphene. We found the doped layer comprising graphene (DLC−G) to electrocatalyze the polysulfide redox reaction. However, the interaction between the doped layer and polysulfide is still weak, hence the dissolution is not suppressed. To circumvent the polysulfide dissolution, graphene with cationic layer was prepared. We found that cations in the layer electrostatically attract the polysulfides due to the polyvalent interaction. Thus, the dissolution is suppressed. While using this material in the Li−S batteries, the specific capacity, energy density and power density were found to be 1345 mAh g−1, 782 Wh kg−1 and 4437 W kg−1, respectively.
There is still no evidence of SARS‐CoV‐2 laboratory origin: Response to Segreto and Deigin (10.1002/bies.202100137)
Authors: Tyshkovskiy Alexander , Panchin Alexander Y.
Published: October 2021

The causative agent of COVID‐19 SARS‐CoV‐2 has led to over 4 million deaths worldwide. Understanding the origin of this coronavirus is important for the prevention of future outbreaks. The dominant point of view that the virus transferred to humans either directly from bats or through an intermediate mammalian host has been challenged by Segreto and Deigin, who claim that the genome of SARS‐CoV‐2 has certain features suggestive of its artificial creation. Following their response to our commentary, here we continue the discussion of the proposed arguments for this hypothesis. We show that neither the existence of a furin cleavage site in SARS‐CoV‐2, nor the presence of specific sequences within the nucleotide insertion encoding that site are evidence for intelligent design. We also explain why existing genetic data, viral diversity and past human history suggest that a natural origin of the virus is the most likely scenario. Genetic evidence suggesting otherwise is yet to be presented.
Varying the Directionality of Protein Catalysts for Aldol and Retro‐Aldol Reactions
Authors: Fujioka Toshifumi , Numoto Nobutaka , Akama Hiroyuki , Shilpa Kola , Oka Michiko , Roy Prodip K. , Krishna Yarkali , Ito Nobutoshi , Baker David , Oda Masayuki , Tanaka Fujie
Published: October 2021

Natural aldolase enzymes and created retro‐aldolase protein catalysts often catalyze both aldol and retro‐aldol reactions depending on the concentrations of the reactants and the products. Here, we report that the directionality of protein catalysts can be altered by replacing one amino acid. The protein catalyst derived from a scaffold of a previously reported retro‐aldolase catalyst, catalyzed aldol reactions more efficiently than the previously reported retro‐aldolase catalyst. The retro‐aldolase catalyst efficiently catalyzed the retro‐aldol reaction but was less efficient in catalyzing the aldol reaction. The results indicate that protein catalysts with varying levels of directionality in usually reversibly catalyzed aldol and retro‐aldol reactions can be generated from the same protein scaffold.
Effects of acid treatment on the physicochemical and functional properties of wheat bran insoluble dietary fiber
Authors: Wang Lei , Tian Yingpeng , Chen Yixuan , Chen Jie
Published: October 2021

Background and Objectives

Wheat bran is a by‐product of the wheat milling industry but most are used as animal fodder or discarded. To extend the applications of wheat bran, the structural, physicochemical, and functional properties of sulfuric acid‐modified wheat bran insoluble fibers (WBIDF) produced using 1%, 2%, 4%, and 8% H2SO4 and 1.5% potassium hydroxide were investigated.

Findings

Due to cell wall disintegration, 1.0% and 2.0% H2SO4 treatments increased the concentration of soluble dietary fiber. Scanning electron microscopy indicated that acid treatment disrupted WBIDF structure, removed starch granules from the surface, and significantly reduced starch content. Higher H2SO4 concentrations increased WBIDF crystallinity due to hydrolysis of hemicellulose and amorphous cellulose. Acid treatment below 2% not only enhanced the water holding, water swelling, oil binding, and cation exchange capacities of WBIDF, but also increased cholesterol, sodium cholate, and glucose adsorption capacities and α‐amylase inhibition activity.

Conclusions

Acid‐modified WBIDF has potential as a functional food ingredient.

Significance and novelty

Acid treatment can be used to disrupt the microstructure of wheat bran to improve its functional properties. These findings can be utilized to improve the technological functionality of wheat bran as a high fiber ingredient for food applications.
In Situ Polymerized Polydopamine Nanoparticles as Enhanced Polymer Composite Electrolyte for All‐Solid‐State Lithium‐Ion Batteries
Authors: Chen Biyun , Huang Hong , Wang Yuan , Shen Zhangfeng , Li Lifen , Wang Yan , Wang Xiaoqiang , Li Xi , Wang Yangang
Published: October 2021

Polyethylene oxide (PEO) is considered to be an important polymer matrix for solid polymer electrolytes, owing to its excellent lithium salt solubility and low cost, but PEO suffers from many disadvantages such as low ion conductivity at room temperature, poor mechanical property, and flammability. This paper presents the fabrication of a novel composite electrolyte composed of polydopamine (PDA) nanoparticles and PEO through a facile in situ polymerization method. The PDA nanoparticles homogeneously disperse in the PEO matrix and substantially suppress the crystallization of PEO, thus significantly improving the ionic conductivity of PEO electrolyte. Meanwhile, tensile test, thermogravimetric analysis, and cone calorimeter characterizations demonstrate the improved mechanical properties, thermal stability, and flame resistance of the PEO electrolyte. In addition, the PDA/PEO electrolyte shows an expanded electrochemical window, and the all‐solid‐state lithium battery assembled from PDA/PEO electrolyte exhibits better rate performance and cycling stability as compared to the battery made from neat PEO electrolyte. This work provides a simple strategy for safe and high‐performance all‐solid‐state lithium‐ion batteries.
Graphene‐Mercury‐Graphene Sandwich Electrode for Electroanalysis
Authors: Grosser Tobias , Wehrhold Michel , Neubert Tilmann J. , Balasubramanian Kannan
Published: October 2021

We present a new class of hybrid 2D electrodes, where mercury is incorporated between two graphene monolayers, prepared by bottom‐up assembly. First, the bottom graphene layer is electrochemically modified leading to the creation of fine mercury nanodroplets of variable size on the graphene surface. Although such electrodes show good sensitivity to heavy metal ions, their stability is limited due to the outgassing of mercury over time. After coverage with a top monolayer, the graphene surface is rendered with the favorable properties of mercury such as the high overpotential for hydrogen evolution, the ability to work at a broader cathodic potential range and higher sensitivity towards heavy metal ions such as Cd2+ and Pb2+. Most importantly, the outgassing of mercury is completely hindered by the top layer, which yields a stable mercury‐like electrode but with a carbonaceous non‐toxic interface. We attribute the favorable properties of the sandwich electrode to the subsurface mercury present below the top graphene sheet, which renders it with new electrochemical properties.
Promoting Ethylene (co)Polymerization in Aliphatic Hydrocarbon Solvents Using tert‐Butyl Substituted Nickel Catalysts
Authors: Chen Ao , Liao Daohong , Chen Changle
Published: October 2021

Comprehensive Summary

In the past few decades, the development of high‐performance catalysts has been a key driving force and a center of research efforts in the field of olefin polymerization. However, a major discrepancy exists between industrial researches which utilize aliphatic hydrocarbon solvents, and academic researches which predominantly focus the catalytic properties in aromatic solvents. In this contribution, a novel diaryl‐methyl aniline bearing eight tert‐butyl groups was prepared and subsequently transformed to four different kinds of imine‐type ligands. The corresponding nickel complexes as well as their counterparts derived from diphenyl‐methyl aniline without the tert‐butyl groups were prepared and investigated in ethylene polymerization. The multiple tert‐butyl groups enable great solubility of the metal complexes in aliphatic hydrocarbon solvents, leading to similar polymerization properties comparing with aromatic solvents. In contrast, their counterparts without tert‐butyl groups demonstrate significant solvent effect. Moreover, the ligand electronic and steric effects induced by the tert‐butyl groups lead to nickel catalysts with great thermal stability (up to 140 oC) and capabilities of generating high molecular weight polymer and copolymer products. This tert‐butyl strategy can be potentially applied to many different polymerization catalyst systems and help to bridge academic studies with practical applications.
Plasmonic Core‐Shell Nanostructures Enhanced Spectroscopies
Authors: Zhou Jun , Wei Di‐Ye , Zhang Yu‐Jin , Zhang Hua , Li Jian‐Feng
Published: October 2021

Comprehensive Summary

Core‐shell nanostructures constituted by a plasmonic core and an ultrathin shell have drawn enormous attentions in enhanced spectroscopies, catalysis, energy, and other fields because of their splendid properties such as multifunctionality, stability, and adjustability. In this article, we summarized the endeavors made by our group in the past decade about the core‐shell nanostructures in the shell‐isolated nanoparticle‐enhanced Raman spectroscopy (SHINERS) and plasmon‐enhanced spectroscopies. Meanwhile, the potential challenges and perspectives about core‐shell nanostructures in spectroscopies have also been proposed. Thus, we believe this article would provide an avenue for a comprehensive understanding of enhanced spectroscopies with core‐shell nanostructures.

What is the most favorite and original chemistry developed in your research group??

Core‐shell nanostructure enhanced Raman spectroscopy for surface analysis.

How do you get into this specific field? Could you please share some experiences with our readers??

I started the studies on Raman spectroscopy since I was a Ph.D. candidate. I think most researchers should concentrate on specific fields, especially those that can hardly be solved by others, and make constant research on them.

How do you supervise your students??

First, give highly challenging or unique topics to students. Then, make detailed plans for them and supervise them to execute the plans.

What is the most important personality for scientific research??

Insistence and diligence.

What are your hobbies? What's your favorite book(s)?

Playing computer games. My favorite book is State of Divinity (笑傲江湖), by Louis Cha.

What is your favorite journal(s)?

The journals report systematic and pioneer works on chemistry, materials, or energy, etc.
A non‐isolated quasi‐Z‐source‐based high‐gain DC–DC converter
Authors: Mahmood Arshad , Zaid Mohammad , Khan Shahrukh , Siddique Marif Daula , Iqbal Atif , Sarwer Zeeshan
Published: October 2021

To overcome the problems associated with Z‐source‐based DC–DC converters, a quasi‐Z‐source (QZS)‐based high‐gain DC–DC boost converter with switched capacitors is proposed in this work. Z‐source‐based DC–DC converters have problems like low‐voltage gain, discontinuous input current, and high‐voltage stress on the active and passive components. The proposed converter can produce a high‐voltage gain of more than 10 times for a duty cycle of less than 0.5. The converter has other desirable features like reduced voltage stress across the switching components and continuous input current (CIC). It comprises a QZS cell made up of switched inductors and a voltage multiplier cell (VMC) made up of switched capacitors. The power loss analysis is done using PLECS software by incorporating the real parameters of switches and diodes from the datasheet. A hardware prototype of 200 W is developed in the laboratory to verify the working of the converter. In experimental results for an output power of 200 W, the converter is operated with a source voltage of 33 V at a duty ratio of 0.4 providing an output voltage of 395 V. The converter performance is good in open‐loop conditions and is verified through experimental results.
SLAMF8 expression predicts the efficacy of anti‐PD1 immunotherapy in gastrointestinal cancers
Authors: Zhang Qun , Cheng Lei , Qin Yanmei , Kong Linghui , Shi Xiao , Hu Jing , Li Li , Ding Zhou , Wang Ting , Shen Jie , Yang Yang , Yu Lixia , Liu Baorui , Liu Chenchen , Qian Xiaoping
Published: October 2021

Objectives

Epstein–Barr virus (EBV) infection is associated with a better response to anti‐PD1 immunotherapy. We hypothesised that genetic alterations induced by EBV infection are responsible for the activation of key immune responses and hence are predictive of anti‐PD1 efficacy.

Methods

With transcriptome data of gastric cancer (GC), we explored differentially expressed genes (DEGs) specific for EBV infection and performed coexpression network analysis using the DEGs to identify the consistent coexpression genes (CCGs) between EBV‐positive and EBV‐negative GC tissues. We selected the tag genes of the CCGs and validated them using RNA sequencing and immunohistochemistry. We established murine models and collected tissues from clinical patients to test the value of SLAMF8 in predicting anti‐PD1 treatment. The location and expression of SLAMF8 were characterised by multiplex immunofluorescence and quantitative PCR. Moreover, exogenous overexpression and RNA‐sequencing analysis were used to test the potential function of SLAMF8.

Results

We identified 290 CCGs and validated the tag gene SLAMF8 in transcriptome data of gastrointestinal cancer (GI). We observed that the T‐cell activation pathway was significantly enriched in high‐expression SLAMF8 GI cancers. Higher SLAMF8 expression was positively associated with CD8 expression and a better response to anti‐PD1 treatment. We further observed dynamically increased expression of SLAMF8 in murine models relatively sensitive to anti‐PD1 treatment. SLAMF8 was mainly expressed on the surface of macrophages. Exogenous overexpression of SLAMF8 in macrophages resulted in enrichment of positive regulation of multiple immune‐related pathways.

Conclusion

Higher SLAMF8 expression may predict better anti‐PD1 immunotherapy efficacy in GI cancer.
Metastatic tumors to the pancreas, a 12‐year single institution review
Authors: Novotny Aaron , Sell Evan , Mehrotra Sanjana
Published: October 2021

Background

Tumors of the pancreas are often primary in nature, but are occasionally proven to be secondary. We report a 12‐year review of all pancreatic tumors shown to be metastatic at the University of Colorado.

Method

The electronic pathology database was searched between 2008 and 2020, for all pancreatic fine‐needle aspiration cases at the University of Colorado to identify and review metastatic tumors to the pancreas. Additional data points to include age, sex, radiographic features, and clinical management were analyzed.

Results

Our data retrieval identified 39 metastatic tumors to the pancreas comprised of 12 (31%) renal cell carcinomas, 6 (15%) lung carcinomas, and 5 (13%) melanomas with the remainder of tumors originating from a variety of other sites. The most common location of these metastases within the pancreas was the pancreatic head (49%) followed by the body (20%). Eighty‐five percentage of cases presented with a single radiographically identified mass.

Conclusion

While the majority of pancreatic tumors represent primary processes, metastatic tumors to the pancreas represent a possible pitfall. The most common tumors to metastasize to the pancreas in this series were renal cell carcinoma, lung carcinoma, and melanoma. General awareness of the most frequent tumors to metastasize to the pancreas is practical when faced with a pancreatic lesion that could represent a metastasis, or in the absence of clinical history.
Malignant melanotic nerve sheath tumor in pleural effusion: Deceitful cytology with significant repercussions
Authors: Jackson Christopher , Linos Konstantinos , Liu Xiaoying
Published: October 2021

Malignant melanotic nerve sheath tumor (MMNST) is an exceedingly rare and aggressive neoplasm of Schwann cell origin that has seldom been described in the cytopathology literature. Herein we present a case of a 60‐year‐old female with a 3.8 cm presacral mass that was diagnosed as a MMNST. A molecular workup demonstrated TERT promoter ‐124C > T and TET2 Q891* gene mutations. Within 2 years of her initial diagnosis, she had developed widespread metastasis and pleural effusions. A cytologic workup of the pleural fluid revealed clusters of vacuolated epithelioid cells with enlarged nuclei, prominent nucleoli, and occasional multinucleation. The lesional cells were positive for SOX10, S100‐protein, Melan‐A, and HMB45, while negative for Calretinin, MOC31, and monoclonal CEA. In this clinicopathologic context, a diagnosis of metastatic MMNST was rendered. Awareness of this entity and its clinical presentation, along with a critical understanding of its molecular findings and that of imitators, is crucial in achieving an accurate diagnosis.
Mammal road‐type associations in Kruger National Park, South Africa: Common mammals do not avoid tar roads more than dirt roads
Authors: Malherbe Misha , McIntyre Trevor , Hattingh Tarryn V. , Leresche Paige M. , Haussmann Natalie S.
Published: October 2021

The majority of Africa's parks and conservation areas have a vast road network, facilitating motorized vehicle game viewing. These roads have an influence that is both road type‐ and species‐specific, on the surrounding ecosystem. Due to their higher traffic volumes, we hypothesized that tar roads and their immediate surrounds within the Kruger National Park, South Africa, are avoided to a greater extent by medium‐to‐large mammals than comparable dirt roads in the park. We systematically recorded the presence of medium‐to‐large mammal species from our vehicle, recording data at 401 tar and 369 dirt road stops in the Kruger National Park. In addition to species presence, we also estimated the proximity of animals to the road, as well as herd sizes. Our results indicate an equal likelihood of viewing the commonly recorded medium‐to‐large mammal species from both road types. The likelihood of observing larger herd sizes was also similar between tar and dirt roads for the three most commonly observed species, African elephant (Loxodonta africana), impala (Aepyceros melampus), and plains zebra (Equus quagga), and the likelihood of viewing impala and zebra close to the road also did not differ between tar and dirt roads. However, elephant was observed more often close to tar roads, compared to dirt roads. We interpreted this as the result of potentially increased woody cover associated with more water runoff in close proximity to tar roads compared with dirt roads. Our results not only have ecological significance, supporting the notion that many of the park's species are habituated to human infrastructure, but also management implications, informing park officials about the influence of road traffic and road type on wildlife distributions.
H{[Na(H2O)3]6F}(PO4)2 ⋅ 2(H2O): A New Polycation‐Type Phosphate with Deep Ultraviolet Transparency
Authors: Yang Xukui , Liu Yuting , Li Yuxin , Ma Peixin , Zeng Tixian , Duan Meihong , Fang Zhi , Qin Dabin
Published: October 2021

A new polycation‐type phosphate of H{[Na(H2O)3]6F}(PO4)2 ⋅ 2(H2O) (FNPO) was synthesized by a mild hydrothermal method. FNPO crystallizes in the cubic space group of
with cell parameters of a=27.778 Å and Z=32. In the structure of FNPO, every sodium ion is six‐fold coordinated to five water molecules and one fluoride ion in forming electroneutral [NaF(H2O)5] octahedra, while one kind of super octahedral polycation‐type {[Na(H2O)3]6F}5+ complexes with center anion of F‐ is constructed by six [NaF(H2O)5] octahedra via the sharing of their terminal fluoride ion and water molecules. Besides counter cation of {[Na(H2O)3]6F}5+ complexes, all the other (PO4)3− and water molecules are in a discrete arrangement with sole connection of hydrogen‐bond interaction with {[Na(H2O)3]6F}5+ complexes in forming [101]‐oriented pseudo‐lines, while each line is hydrogen‐bonded to six adjacent lines in generating the three‐dimensional structure of FNPO. Benefitted by this polycation‐type structure, FNPO was characterized by a deep ultraviolet transparency.
Oxidative C−F Cleavage in Metalloenzymes and Model Compounds
Authors: Costas Miquel , Company Anna
Published: October 2021

Replacement of C−H by C−F bonds provides lipophilicity and chemical stability to organic molecules. These properties make organofluorides interesting compounds in agrochemistry, medicinal chemistry and also in materials. However, the same properties hamper their chemical degradation, resulting in an increasingly concerning environmental persistence, which is fueling the quest for biological and chemical reagents that could cleave the C−F bonds. The first part of this review makes an overview of oxidative enzymes known to defluorinate organic molecules. The second part reviews coordination complexes, originally designed as functional models of oxidative enzymes, that can also engage in related defluorination reactions. The manuscript is hoped to provide ideas for the development of novel catalytic methodologies.
Synthesis and Characterization of Bisthienylethene‐Porphyrin Photoswitchable Copolymers
Authors: Huo Zhaohui , Badets Vasilica , Ibrahim Helen , Goldmann Michel , Xu Hualong , Yi Tao , Boudon Corinne , Ruhlmann Laurent
Published: October 2021

The bisthienylethene (BTE) class is one of the most intensely studied type of photochromatic dye which attract great attention from researchers seeking to exploit light responsive switches in an extensive diversity of fields. BTE is the subject of many avenues of research. We report here the synthesis of a new diarylethene‐porphyrin photoswitchable copolymer via the electropolymerization of zinc octaethyl porphyrin and pyridine substituted diarylethene. The electropolymerization was monitored by electrochemical quartz crystal microbalance (EQCM). The copolymer was characterized by electrochemistry, UV‐Vis spectroscopy, X‐ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). The incorporated diarylethene maintains its reversible photochromism upon the UV‐Vis radiation with multiple cycles of ring‐opening and closing. Attention is focused on the ways the polymer environment affects BTE photochromism.
Impact of lipopolysaccharides on cultivation and recombinant protein expression in human embryonal kidney (HEK‐293) cells
Authors: Faust Christine , Beil Christian , Dittrich Werner , Rao Ercole , Langer Thomas
Published: October 2021

The human embryonal kidney 293 cell (HEK‐293) is a widely used expression host for transient gene expression. The genes or plasmids used for the transient transfections are usually propagated and extracted from the gram‐negative bacterium Escherichia coli, the workhorse for molecular biologists. As a gram‐negative bacterium E. coli has an outer membrane (OM) containing lipopolysaccharides (LPS) or endotoxins. LPS are very potent inducers of inflammatory cytokines in the body. In early research phases DNA intended for transient transfections is not routinely checked for LPS‐levels. In this study we addressed the question whether LPS has an impact on the cultivation and production of a recombinant antibody. At high concentrations the presence of LPS has a detrimental impact on cell viability and recombinant protein expression. But low LPS concentrations are tolerated and might even enhance protein expression levels.
Optimal design and experimental test of a solar simulator for solar photovoltaic modules
Authors: Cortés‐Severino Rodrigo , Cárdenas‐Bravo Carlos , Barraza Rodrigo , Sánchez‐Squella Antonio , Valdivia Lefort Patricio , Castillo‐Burns Federico
Published: October 2021

Solar simulators have been widely used to characterize the performance of solar photovoltaics cells, which typically have a size of 156 × 156 mm2. In order to amplify the testing area, a flexible optimal design method for solar simulators is presented in this study. In this work, 20 quartz tungsten halogen lamps are used with a light filter composed of a mixture of distilled water and cyan ink. The methodology includes the measurements of the irradiance nonuniformities, spectral profile, and explores the effects of light filters on the primary light source used. During this stage, the power source of the lights should be selected, where direct current is usually assumed. As soon as the primary light source is characterized by its corresponding model, a layout is defined by optimizing the nonuniformity of the irradiance. The constructed solar simulator presents a spectral match of 1.69%, a spatial nonuniformity of irradiance of 1.66%, and a temporal instability of irradiance lower than 0.1%. In addition, the current‐voltage curves are compared under indoor and outdoor test showing a root‐mean‐squared error lower than 3%. A class CAA solar simulator is achieved according to the International Electrotechnical Commission and American Society for Testing and Materials standards over an area of 270 × 270 mm2, suitable for testing small size solar photovoltaic modules.
Perceptions of Exercise and Its Challenges in Patients With Nonalcoholic Fatty Liver Disease: A Survey‐Based Study
Authors: Glass Oliver , Liu Daniel , Bechard Elizabeth , Guy Cynthia D. , Pendergast Jane , Mae Diehl Anna , Abdelmalek Manal F.
Published: October 2021

Exercise is a foundational treatment for nonalcoholic fatty liver disease (NAFLD); however, the majority of patients are unable to initiate and maintain effective exercise habits and remain at increased risk for progressive liver disease. Barriers and limitations to exercise in patients with NAFLD have not been fully identified. We performed a single survey of 94 patients with biopsy‐proven NAFLD to understand baseline physical activity and sedentary behavior, self‐perceived fitness, limitations to exercise, potential solutions to increase physical activity behavior, and perception of exercise as a foundational treatment for NAFLD. For exploratory analyses, we evaluated differences in responses to the survey by grouping severity of hepatic fibrosis as follows: nonalcoholic fatty liver (NAFL); early stage (nonalcoholic steatohepatitis [NASH] F0, NASH F1, NASH F2); and late stage (NASH F3, NASH F4). Zero weekly total physical activity was reported by 29% of patients with NAFLD. Late‐stage NASH had significantly lower vigorous (P = 0.024), walking (P = 0.029), total weekly activity (P = 0.043), and current fitness level (P = 0.022) compared to early stage NASH. Overall, 72% of patients with NAFLD reported limitations to exercise, with the greatest proportion citing lack of energy (62%), fatigue (61%), prior/current Injury (50%), and shortness of breath (49%). A preference for personal training to increase their physical activity was indicated by 66% of patients with NAFLD, and 63% preferred exercise over medication to treat NAFLD. Conclusion: The majority of patients with NAFLD have limitations to exercise but prefer exercise as a treatment option for NAFLD in the form of personal training. Patients with NAFLD may have unique physiologic limitations to exercise that worsen with fibrosis severity. Exercise interventions or services that are personalized and scalable may improve sustainability of exercise habits in the long term.