bluuebunny/crossref_metadata_2025 huggingface dataset:
A Cyclized Polyacrylonitrile Anode for Alkali Metal Ion Batteries
Authors: Zhang Wenli , Sun Minglei , Yin Jian , Abou‐Hamad Edy , Schwingenschlögl Udo , Costa Pedro M. F. J. , Alshareef Husam N.
Published: October 2020

Organic anodes have attracted increasing attention for alkali metal ion batteries. In this work, we discovered that cyclized polyacrylonitrile (cPAN) can serve as an excellent anode for alkali metal ion batteries. Upon activation cycling, as an anode of lithium‐ion battery, cPAN exhibits a reversible capacity as high as 1238 mAh g−1under a current density of 50 mA g−1. Based on electrochemical experiments and first‐principles calculations, it is demonstrated that the hexagonal carbon ring, piperidine ring, and pyridine nitrogen in ladder cPAN are the main active sites for lithium‐ion storage. cPAN displays a unique potential‐dependent solid electrolyte interphase formation from 0.1 to 0.01 V vs. Li/Li+. It also displays decent performance as an anode in SIBs and PIBs.
A Versatile Method for Functionalization of Covalent Organic Frameworks via Suzuki–Miyaura Cross‐Coupling
Authors: Liao Qiaobo , Ke Can , Huang Xin , Wang Dongni , Han Qingwen , Zhang Yifan , Zhang Yiying , Xi Kai
Published: October 2020

Post‐synthetic modification (PSM) is a prevalent and powerful strategy to introduce desired functionalities into covalent organic frameworks (COFs) for functional products, expediting their applications vastly. Herein, we demonstrate a PSM strategy for functionalizing brominated COFs via the well‐developed Suzuki–Miyaura cross‐coupling. By this, a variety of functionalities were installed into COFs efficiently, while the crystallinity and porosity of COFs was well‐retained. As a proof‐of‐concept, BrCOF‐2 was modified with trifluoromethyl groups to produce a SF6 adsorbent with remarkably enhanced properties. This facile and versatile approach opens a new door for the synthesis of functional COFs, and greatly expands the scope of their structural design aiming for various properties and applications.
Using artificial neural networks to model and interpret electrospun polysaccharide (Hylon VII starch) nanofiber diameter
Authors: Premasudha Mookala , Bhumi Reddy Srinivasulu Reddy , Lee Yeon‐Ju , Panigrahi Bharat B. , Cho Kwon‐Koo , Nagireddy Gari Subba Reddy
Published: October 2020

Present work was aimed to develop an artificial neural networks (ANN) model to predict the polysaccharide‐based biopolymer (Hylon VII starch) nanofiber diameter and classification of its quality (good, fair, and poor) as a function of polymer concentration, spinning distance, feed rate, and applied voltage during the electrospinning process. The relationship between diameter and its quality with process parameters is complex and nonlinear. The backpropagation algorithm was used to train the ANN model and achieved the classification accuracy, precision, and recall of 93.9%, 95.2%, and 95.2%, respectively. The average errors of the predicted fiber diameter for training and unseen testing data were found to be 0.05% and 2.6%, respectively. A stand‐alone ANN software was designed to extract information on the electrospinning system from a small experimental database. It was successful in establishing the relationship between electrospinning process parameters and fiber quality and diameter. The yield of smaller diameter with good quality was favored by lower feed rate, lower polymer solution concentration, and higher applied voltage.
Granulocyte‐colony stimulating factor improves intervertebral disc degeneration in experimental adult male rats: A microscopic and radiological study
Authors: Abdel Fattah Islam Omar , Nasr El‐Din Wael Amin
Published: October 2020

Intervertebral disc degeneration (IVDD) is a major contributor to low back pain (LBP). Granulocyte‐colony stimulating factor (GCSF) is known to mobilize hematopoietic stem cells (HSCs) that may be implicated in intervertebral disc (IVD) regeneration. Rats were divided into the following three groups: (i) control group; (ii) IVDD group—the rats underwent Co5/Co6 and Co7/Co8 IVDD operation; and (iii) GCSF‐treated group—the rats received daily GCSF subcutaneous injections starting 6 weeks after the IVDD operation and continued for 5 days. All of the rats were euthanized after 8 weeks, and IVDs were assessed by tail X‐ray and histopathological, immunohistochemical, and transmission electron microscopy (TEM) analyses. The X‐rays showed disc narrowing in the IVDD group that was significantly widened in the GCSF‐treated rats. Histologically, the IVDD group showed disarrangement of the annulus fibrosis lamellae, complete degeneration of the nucleus pulposus, and loss of proteoglycan content. These changes were improved after GCSF treatment. Vertebral endplate thickness and cellularity were significantly decreased with IVDD and significantly increased after GCSF treatment. Stromal cell‐derived factor‐1α (SDF‐1α) immune expression was significantly increased in the IVDD group but decreased in the GCSF‐treated group. However, the caspase‐3 expression percentage showed no significant difference among the studied groups. TEM showed excessive collagen deposits around the notochordal cells in the IVDD group, which were attenuated in the GCSF‐treated group. These results indicate that GCSF improves IVDD and promotes its recovery based on radiological, histological and TEM findings.
Changes in hippocampal capillaries in transgenic type 2 diabetic mice: A stereological investigation
Authors: Zhao Yuanyu , Liu Jin , Li Jing , Zhao Feng , Du Shijuan , Wang Yunzi , Li Juan , Yang Lijun , Du Jiang , Tang Yong
Published: October 2020

The cognitive dysfunction associated with type 2 diabetes mellitus (T2DM) has been widely studied, and many structures in the hippocampus, such as neurons and synapses, have been shown to play a crucial role in the cognitive decline. However, the mechanism of these changes remains unknown. To further explore this issue, we investigated the changes in the blood supply of the hippocampus in transgenic T2DM mice. In the current study, histochemistry, immunohistochemistry, and unbiased stereological methods were utilized to research the effects of T2DM on hippocampal capillaries of transgenic db/db mice. Twenty (Leprdb) mut/mut mice and twenty (Leprdb) wt/wt mice were used in this study. The learning and memory ability was appraised by Morris water maze test.
Amoebicidal effect of 5,5′‐[(4‐nitrophenyl)methylene]bis‐6‐hydroxy‐2‐mercapto‐3‐methyl‐4(3H)‐pyrimidinone), a new drug against Entamoeba histolytica
Authors: Vique‐Sánchez José L. , Jiménez‐Pineda Albertana , Benítez‐Cardoza Claudia G.
Published: October 2020

Entamoeba histolytica is a cosmopolitan protozoan parasite that can produce infections in the intestine and some organs (liver, lungs, and brain), with worldwide prevalence. There are treatments against E. histolytica (antiparasitics), but as the drugs used in these treatments have presented some type of resistance and/or side effects, there are cases with complications of this disease. Therefore, it is necessary to develop new drugs aimed at a specific therapeutic target against this parasite. Here, we used the compound 5,5′‐[(4‐nitrophenyl)methylene]bis(6‐hydroxy‐2‐mercapto‐3‐methyl‐4(3H)‐pyrimidinone) in the patenting process (called D4). D4 has a reported specific use against a glycolytic enzyme, the triosephosphate isomerase of Trichomonas vaginalis (TvTIM). We determined that D4 has an amoebicidal effect in in vitro cultures, with an IC50 value of 18.5 µM, and we proposed a specific site of interaction (Lys77, His110, Gln115, and Glu118) in the triosephosphate isomerase of E. histolytica (EhTIM). Furthermore, compound D4 has favorable experimental and theoretical toxicity results. Therefore, D4 should be further investigated as a potential drug against E. histolytica.
Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides
Authors: Rodrigues Silva Daniela , de Azevedo Santos Lucas , Freitas Matheus P. , Guerra Célia Fonseca , Hamlin Trevor A.
Published: October 2020

We have quantum chemically investigated the bonding between archetypical Lewis acids and bases. Our state‐of‐the‐art computations on the X3B−NY3Lewis pairs have revealed the origin behind the systematic increase in B−N bond strength as X and Y are varied from F to Cl, Br, I, H. For H3B−NY3, the bonding trend is driven by the commonly accepted mechanism of donor−acceptor [HOMO(base)−LUMO(acid)] interaction. Interestingly, for X3B−NH3, the bonding mechanism is determined by the energy required to deform the BX3to the pyramidal geometry it adopts in the adduct. Thus, Lewis acids that can more easily pyramidalize form stronger bonds with Lewis bases. The decrease in the strain energy of pyramidalization on going from BF3to BI3is directly caused by the weakening of the B−X bond strength, which stems primarily from the bonding in the plane of the molecule (σ‐like) and not in the π system, at variance with the currently accepted mechanism.
A performance‐based indicator chemical framework for potable reuse
Authors: Thompson Kyle A. , Dickenson Eric R. V.
Published: October 2020

Many organic chemicals occur in reclaimed water at higher concentrations than in conventional drinking water sources. Some of these chemicals are known to occur at concentrations that pose chronic health risks. The toxicity or occurrence of other chemicals may not yet be known. Thus, potable reuse systems should achieve robust removal of known and unknown chemicals to ensure public health protection. Here, criteria were proposed for performance‐based indicators that could cost‐effectively verify this robust removal. The selection process was then demonstrated for a hypothetical system using ozonation, granular activated carbon, and direct ultraviolet photolysis. A set of indicators (e.g., acesulfame, meprobamate, perfluoroheptanoic acid, sucralose, iopromide, benzotriazole, and iohexol) was recommended on the basis of original and literature review data. However, the concentrations of some of these indicators are sufficient at certain locations only or decrease over time. Thus, indicators should be site‐specific, periodically reevaluated, and the topic of further research.
Real‐time reverse osmosis monitoring for antiscalant dose selection in advanced treatment of wastewater
Authors: Rahardianto Anditya , Gu Han , Khan Bilal M. , Plumlee Megan H.
Published: October 2020

A new methodology was developed for rapid antiscalant dose optimization using the RO‐Spotlight™ real‐time membrane surface fouling imaging system. The approach relied on the sequential step‐down of antiscalant dose in a pilot reverse osmosis (RO) system to detect fouling onset and progression, requiring a tracking method of high sensitivity beyond that of indirect monitoring of permeate flux decline. The RO membrane monitoring system with its RO cell was interfaced with the pilot RO unit to treat microfiltered municipal wastewater. The pilot RO study, conducted at a 100‐mgd full‐scale advanced purification facility, demonstrated the feasibility for 26% antiscalant dose (hence chemical cost) reduction from the level deployed at the full‐scale plant. The optimal effective dose was determined at a significantly shorter period compared with prolonged piloting approaches on the basis of the monitoring of permeate flux decline. Continuous membrane monitoring can also provide immediate feedback regarding system performance degradation before the progression of significant fouling.
Screening method to prioritize relevant bio‐based acids and their biochemical processes using recent patent information
Authors: Braga Melissa , Ferreira Priscila M. , Almeida João Ricardo M.
Published: October 2020

There are increasing environmental and economic demands for the production of chemicals of industrial interest from renewable resources. Among the renewable products, short‐chain carboxylic acids (C1‐C6) stand out due to their importance in many sectors of the economy. Within this class, a wide variety of acids are industrially valuable as the precursors of many other chemicals for different applications, technological solutions, and markets. This makes it difficult to identify the most promising from a technical and economic standpoint. In this work, data on scientific papers and patents published between 2008 to 2017, related to the main bio‐based carboxylic acids, are used to identify the acids that are generating growing scientific and industrial interest. The biochemical processes in patents associated with the production of such acids are evaluated using a multicriteria approach that integrates valuation patent criteria. The results of this study show that acids that are of substantial commercial interest, such as acetic, citric, lactic, acrylic, and methacrylic acids, have the highest growth rate both in scientific papers and patents. In terms of biochemical processes, the multicriteria decision analysis showed that the most relevant processes described in patents were associated with ‘drop‐in’ acids such as methacrylic, adipic, maleic, acrylic, and glutaric acids. There is also a clear indication of the emergence of studies on low volume acids such as acetoacetic, acetolactic, muconic, and levulinic acids. In conclusion, the analysis shows that emerging scientific and technological production is conservative, focusing on acids with established markets, especially for the substitution of petrochemicals for immediate demand. © 2020 Society of Industrial Chemistry and John Wiley & Sons Ltd
Verbal emotional memory laterality effect on amygdalohippocampectomy for refractory epilepsy
Authors: Carvajal Fernando , Calahorra‐Romillo Ainara , Rubio Sandra , Martín Pilar
Published: October 2020

Objectives

To study the brain lateralization of the verbal emotional memory and the influence of the emotional valence, we investigated a sample composed of patients with medial temporal lobe refractory epilepsy (MTLE) treated with unilateral amygdalohippocampectomy compared to a control group.

Materials & Methods

A new task (Verbal Association) was designed and implemented to assess emotional memory performance. It was applied to 62 patients with MTLE of whom 31 have been subjected to right amygdalohippocampectomy and 31 to left amygdalohippocampectomy. These patients were compared with 31 participants with no cerebral pathology, as a control group.

Results

(a) The control group obtained a higher number of recalled words than the rest of the groups, while the MTLE‐right group obtained better results than the MTLE‐left group. (b) In the case of positive emotional valence words, the MTLE‐left group performed significantly worse than the rest of the groups; whereas for negative emotional words, the MTLE‐left group presented the lowest average performance and the control group obtained a higher number of recalled words compared to MTLE‐right group. In the case of neutral emotional words, no significant differences were found among the groups. (c) The MTLE‐left group showed poorer performance on positive and negative words than neutral; the control group demonstrated lower average performance on positive and neutral words compared to negative; the MTLE‐right group did not show any significant differences on the recall of different emotional valences.

Conclusions

Patients with MTLE show a deficit in the verbal recall which is exacerbated for information with an affective component. This deficit is more prominent in the case of patients with left unilateral resection (MTLE‐left group) since they lose the benefits of the emotional information for the recall.
Creation of climate‐smart and energy‐efficient agriculture in the European Union: Pathways based on the frontier analysis
Authors: Streimikis Justas , Miao Zhuang , Balezentis Tomas
Published: October 2020

Creation of the climate‐smart agriculture requires efficient resource use and mitigation of the environmental pressures among other objectives. Therefore, it is important to assess the energy efficiency and productivity growth in the European Union's agriculture. This paper analyses the sample of the selected European Union member states. The productive technology including the energy consumption and the resulting greenhouse gas (GHG) emission is constructed. The measurement of the energy efficiency and productivity change relies on the slacks‐based measure and Luenberger productivity indicator. The productivity growth was decomposed with respect to the input/output variables and the sources of growth (i.e., efficiency change and technical progress). The average annual productivity growth of 0.79% was obtained for the selected countries during 1995–2016. The highest productivity gains were observed in Lithuania, Denmark, Belgium and Romania (1.27%–1.94% per year). The productivity growth related to GHG emission dominated the contributions by the input/output variables in Lithuania, Denmark, Belgium, Romania, Poland, Austria, France, the Netherlands, Hungary and Estonia.
Increased dopamine and its receptor dopamine receptor D1 promote tumor growth in human hepatocellular carcinoma
Authors: Yan Yan , Pan Jiahao , Chen Yonghua , Xing Wei , Li Qiang , Wang Dongyin , Zhou Xiaoshuang , Xie Jingdun , Miao Changhong , Yuan Yunfei , Zeng Weian , Chen Dongtai
Published: October 2020

Background

Dopamine and dopamine receptor D1 (DRD1), a member of the dopamine receptor family, have been indicated to play important roles in cancer progression, but dopamine secretion in hepatocellular carcinoma (HCC) and the effects of DRD1 on HCC remain unclear. This study was designed to explore the contribution of the dopaminergic system to HCC and determine the relationship between DRD1 and prognosis in HCC patients.

Methods

The dopamine metabolic system was monitored using enzyme‐linked immunosorbent assays (ELISAs). The expression of DRD1 was detected by microarray analysis, immunohistochemistry (IHC), and quantitative real‐time PCR (qRT‐PCR). Stable DRD1 knockout and overexpression cell lines were established for investigation. Transwell, colony formation, and Cell Counting Kit 8 (CCK8) assays were performed to assess the malignant behaviors of cancer cells. The cAMP/PI3K/AKT/ cAMP response element‐binding (CREB) signaling pathway was evaluated by Western blot. This pathway, which is agitated by DRD1 in striatal neurons, had been proven to participate in tumor progression. Xenograft HCC tumors were generated for in vivo experiments.

Results

Dopamine secretion increased locally in HCC due to an imbalance in dopamine metabolism, including the upregulation of dopa decarboxylase (DDC) and the downregulation of monoamine oxidase A (MAOA). Dopamine promoted the proliferation and metastasis of HCC. DRD1 was highly expressed in HCC tissues and positive DRD1 expression was related to a poor prognosis in HCC patients. The upregulation of DRD1 agitated malignant activities, including proliferation and metastasis in HCC by regulating the cAMP/PI3K/AKT/CREB pathway, and the downregulation of DRD1 had opposing effects. The effects of dopamine on HCC was reversed by depleting DRD1. SCH23390, a selective DRD1 antagonist, inhibited the proliferation and metastasis of HCC cells both in vitro and in vivo.

Conclusion

Dopamine secretion was locally increased in HCC and promoted HCC cell proliferation and metastasis. DRD1 was found to exert positive effects on HCC progression and play a vital role in the dopamine system, and could be a potential therapeutic target and prognostic biomarker for HCC.
Did college retaliate against game‐clock operator?
Authors: Lyerly Eric
Published: October 2020

The plaintiff's spouse was an assistant dean at Mount Aloysius College. During her spouse's tenure as assistant dean, the plaintiff worked part time as a game‐clock operator for the college's home basketball games. Game‐clock operators were hired on a per‐game basis. Accordingly, the plaintiff signed separate contracts for each game she operated the game clock and had control over which games she worked. The college also sent her 1099 tax forms related to her employment.
Systematic review of the evaluation and management of coronary pseudoaneurysm after stent implantation
Authors: Hassan Atif , Uretsky Barry F. , Vargas Estrada Andres M. , Hassan Romesa , Al‐Hawwas Malek , Agarwal Shiv Kumar
Published: October 2020

Pseudoaneurysm (PSA) formation is a rare but well‐known complication of coronary stenting. It develops after a procedural perforation disrupts the integrity of the vessel wall but is contained by a single wall layer, usually pericardium, extravascular thrombosis and later fibrosis. Medical literature of PSA consists primarily of case reports. A systematic review of pseudoaneurysm after coronary stenting was performed to summarize its presentation, diagnostic imaging modalities, natural history, and management approaches. Clinical presentations range from asymptomatic to hemodynamic collapse, size from small to “giant,” and treatment approaches from surgical or percutaneous exclusion to “watchful waiting” and imaging surveillance. Based on current information, a management algorithm is provided recommending urgent to emergent exclusion for symptomatic PSA, elective exclusion for large and giant PSA, and “watchful waiting” and periodic imaging surveillance for small to moderate sized PSA.
Ru(II)‐Pheox Catalyzed Highly Stereoselective Cyclopropanation of Allyl‐ and Vinylsilanes with Diazoesters and Their Synthetic Applications
Authors: Otog Nansalmaa , Inoue Hayato , Trinh Doan Thi Thuy , Batgerel Zolzaya , Langendorf Niklas Maximilian , Fujisawa Ikuhide , Iwasa Seiji
Published: October 2020

The stereoselective synthesis of optically active cyclopropylsilanes from various allyl‐ and vinylsilanes with functionalized diazoesters was achieved in excellent yields (up to 99 %) and diastereo‐ (up to >99 : 1 d.r.) and enantioselectivities (up to 99 % ee) in the presence of Ru(II)‐Pheox catalysts. Among a series of Ru(II)‐Pheox catalysts, p‐MeO−Ru(II)‐Pheox was determined to be the best catalyst for cyclopropanation reactions of diazoesters with various allylsilanes. Also, methyl(diazoacetoxy)acetate afforded in significantly enhanced yields, diastereoselectivities, and enantioselectivities. The cyclopropanation reactions with vinylsilanes with methyl (diazoacetoxy)acetate proceeded with excellent diastereoselectivities (>99 : 1 d.r.). Moreover, cyclopropylsilane derivatives could be successfully transformed into beneficial building blocks for the synthesis of bioactive compounds, including an anti‐HIV drug and Imatinib‐7.
A Doubly Bridged Bis(phenylethynyl)benzene: Different from a Twisted Tolan
Authors: Hodecker Manuel , Kozhemyakin Yury , Weigold Svenja , Rominger Frank , Freudenberg Jan , Dreuw Andreas , Bunz Uwe H. F.
Published: October 2020

The synthesis of a doubly bridged 1,4‐bis(phenylethynyl)benzene is reported. The target displays photophysical properties, distinctly different from that of its congeners, the singly bridged tolans. Quantum‐chemical calculations suggest a lack of planarization of the bridged bis(phenylethynyl)benzene in the first excited state.
Synthesis, Electronic Properties and Reactivity of [B12X11(NO2)]2− (X=F–I) Dianions
Authors: Asmis Knut R. , Beele Björn B. , Jenne Carsten , Kawa Sebastian , Knorke Harald , Nierstenhöfer Marc C. , Wang Xue‐Bin , Warneke Jonas , Warneke Ziyan , Yuan Qinqin
Published: October 2020

Nitro‐functionalized undecahalogenated closo‐dodecaborates [B12X11(NO2)]2− were synthesized in high purities and characterized by NMR, IR, and Raman spectroscopy, single crystal X‐diffraction, mass spectrometry, and gas‐phase ion vibrational spectroscopy. The NO2 substituent leads to an enhanced electronic and electrochemical stability compared to the parent perhalogenated [B12X12]2− (X=F–I) dianions evidenced by photoelectron spectroscopy, cyclic voltammetry, and quantum‐chemical calculations. The stabilizing effect decreases from X=F to X=I. Thermogravimetric measurements of the salts indicate the loss of the nitric oxide radical (NO.). The homolytic NO. elimination from the dianion under very soft collisional excitation in gas‐phase ion experiments results in the formation of the radical [B12X11O]2−.. Theoretical investigations suggest that the loss of NO. proceeds via the rearrangement product [B12X11(ONO)]2−. The O‐bonded nitrosooxy structure is thermodynamically more stable than the N‐bonded nitro structure and its formation by radical recombination of [B12X11O]2−. and NO. is demonstrated.
Porphyrinylphosphonate‐Based Metal–Organic Framework: Tuning Proton Conductivity by Ligand Design
Authors: Yu. Enakieva Yulia , Sinelshchikova Anna A. , Grigoriev Mikhail S. , Chernyshev Vladimir V. , Kovalenko Konstantin A. , Stenina Irina A. , Yaroslavtsev Andrey B. , Gorbunova Yulia G. , Yu. Tsivadze Aslan
Published: October 2020

A novel metal–organic framework [Zn3(Ni‐H2TPPP)(Ni‐H4TPPP)(Ni‐H5TPPP)⋅7(CH3)2NH2⋅DMF⋅7 H2O] (where Ni‐HxTPPP (x=2,4,5) are partially deprotonated [5,10,15,20‐tetrakis(3‐(phosphonatophenyl)‐porphyrinato(2‐))]nickel(II) species), IPCE‐2Ni, with outstanding proton conductivity (1.0×10−2 S cm−1 at 75 °C and 95 % relative humidity) has been obtained. The high concentration of free phosphonate groups and compensating dimethylammonium cations bound by hydrogen bonds in the unique crystal structure of IPCE‐2Ni is a key factor responsible for the observed high proton conductivity, which is one order of magnitude higher than for the corresponding MOF based on 5,10,15,20‐tetrakis(4‐(phosphonatophenyl)porphyrinato(2‐))]nickel(II) IPCE‐1Ni and comparable with that of leaders among MOFs.
Photophysics of 9,9‐Dimethylacridan‐Substituted Phenylstyrylpyrimidines Exhibiting Long‐Lived Intramolecular Charge‐Transfer Fluorescence and Aggregation‐Induced Emission Characteristics
Authors: Fecková Michaela , Kalis Ioannis Konstantinos , Roisnel Thierry , le Poul Pascal , Pytela Oldřich , Klikar Milan , Robin‐le Guen Françoise , Bureš Filip , Fakis Mihalis , Achelle Sylvain
Published: October 2020

Six pyrimidine‐based push–pull systems substituted at positions C2 and C4/6 with phenylacridan and styryl moieties, employing methoxy or N,N‐diphenylamino donors, have been designed and synthesized through cross‐coupling and Knoevenagel reactions. X‐ray analysis confirmed that the molecular structure featured the acridan moiety arranged perpendicularly to the residual π system. Photophysical studies revealed significant differences between the methoxy and N,N‐diphenylamino chromophores. Solvatochromic studies revealed that the methoxy derivatives showed dual emission in polar solvents. Time‐resolved spectroscopy revealed that the higher energy band involved very fast (<80 ps) fluorescence, whereas the lower energy one included long components (≈30 ns) due to long‐lived intramolecular charge‐transfer fluorescence. In contrast to N,N‐diphenylamino chromophores, the methoxy derivatives also showed aggregation‐induced emission in mixtures of THF/water, as well as dual emission in thin films, covering almost the whole visible spectrum with corresponding chromaticity coordinates not far from that of pure white light. These properties render the methoxy derivatives as very promising organic materials for white organic light‐emitting diodes.
A Zwitterionic Phosphonium Stannate(II) via Hydrogen Splitting by a Sn/P Frustrated Lewis‐Pair and Reductive Elimination
Authors: Holtkamp Philipp , Schwabedissen Jan , Neumann Beate , Stammler Hans‐Georg , Koptyug Igor V. , Zhivonitko Vladimir V. , Mitzel Norbert W.
Published: October 2020

The reactivity of the frustrated Lewis pair (FLP) (F5C2)3SnCH2P(tBu)2 (1) was investigated with respect to the activation of elemental hydrogen. The reaction of 1 at elevated hydrogen pressure afforded the intramolecular phosphonium stannate(II) (F5C2)2SnCH2PH(tBu)2 (3). It was characterized by means of multinuclear NMR spectroscopy and single crystal X‐ray diffraction. NMR experiments with the two isotopologues H2 and D2 showed it to be formed via an H2 adduct (F5C2)3HSnCH2PH(tBu)2 (2) and the subsequent formal reductive elimination of pentafluoroethane; this is supported by DFT calculations. Parahydrogen‐induced polarization experiments revealed the formation of a second product of the reaction of 1 with H2, [HP(tBu)2Me][Sn(C2F5)3] (4), in 1H NMR spectra, whereas 2 was not detected due to its transient nature.
Asymmetric Biocatalytic Synthesis of 1‐Aryltetrahydro‐β‐carbolines Enabled by “Substrate Walking”
Authors: Eger Elisabeth , Schrittwieser Joerg H. , Wetzl Dennis , Iding Hans , Kuhn Bernd , Kroutil Wolfgang
Published: October 2020

Stereoselective catalysts for the Pictet–Spengler reaction of tryptamines and aldehydes may allow a simple and fast approach to chiral 1‐substituted tetrahydro‐β‐carbolines. Although biocatalysts have previously been employed for the Pictet–Spengler reaction, not a single one accepts benzaldehyde and its substituted derivatives. To address this challenge, a combination of substrate walking and transfer of beneficial mutations between different wild‐type backbones was used to develop a strictosidine synthase from Rauvolfia serpentina (RsSTR) into a suitable enzyme for the asymmetric Pictet–Spengler condensation of tryptamine and benzaldehyde derivatives. The double variant RsSTR V176L/V208A accepted various ortho‐, meta‐ and para‐substituted benzaldehydes and produced the corresponding chiral 1‐aryl‐tetrahydro‐β‐carbolines with up to 99 % enantiomeric excess.
Synthesis and Evaluation of Voltage‐Gated Sodium Channel Blocking Pyrroline Derivatives Endowed with Both Antiarrhythmic and Antioxidant Activities
Authors: Carocci Alessia , Roselli Mariagrazia , Budriesi Roberta , Micucci Matteo , Desaphy Jean‐François , Altamura Concetta , Cavalluzzi Maria Maddalena , Toma Maddalena , Passeri Giovanna Ilaria , Milani Gualtiero , Lovece Angelo , Catalano Alessia , Bruno Claudio , De Palma Annalisa , Corbo Filomena , Franchini Carlo , Habtemariam Solomon , Lentini Giovanni
Published: October 2020

Under the hypothesis that cardioprotective agents might benefit from synergism between antiarrhythmic activity and antioxidant properties, a small series of mexiletine analogues were coupled with the 2,2,5,5‐tetramethylpyrroline moiety, known for its antioxidant effect, in order to obtain dual‐acting drugs potentially useful in the protection of the heart against post‐ischemic reperfusion injury. The pyrroline derivatives reported herein were found to be more potent as antiarrhythmic agents than mexiletine and displayed antioxidant activity. The most interesting tetramethylpyrroline congener, atert‐butyl‐substituted analogue, was at least 100 times more active as an antiarrhythmic than mexiletine.
Catalytic Dehydrogenation of Ammonia Borane Mediated by a Pt(0)/Borane Frustrated Lewis Pair: Theoretical Design
Authors: Zhang Lei , Oishi Takumi , Gao Liuzhou , Hu Shiyu , Yang Linlin , Li Wei , Wu Shengjun , Shang Rong , Yamamoto Yohsuke , Li Shuhua , Wang Wei , Zeng Guxiang
Published: October 2020

A new efficient metal‐based frustrated Lewis pair constructed by (PtBu3)2Pt and B(C6F5)3 was designed through density functional theory calculations for the catalytic dehydrogenation of ammonia borane (AB). The reaction was composed by the successive dehydrogenation of AB and H2 liberation, which occurs through the cooperative functions of the Pt(0) center and the B(C6F5)3 moiety. Two equivalents of H2 were predicted to be liberated from each AB molecule. The generation of the second H2 is the rate‐determining step, with a Gibbs energy barrier and reaction energy of 27.4 and 12.8 kcal/mol, respectively.
Electrochemical Applications of Ferrocene‐Based Coordination Polymers
Authors: Hu Mao‐Lin , Abbasi‐Azad Mahsa , Habibi Behnam , Rouhani Farzaneh , Moghanni‐Bavil‐Olyaei Hamed , Liu Kuan‐Guan , Morsali Ali
Published: October 2020

Ferrocene and its derivatives, especially ferrocene‐based coordination polymers (Fc‐CPs), offer the benefits of high thermal stability, two stable redox states, fast electron transfer, and excellent charge/discharge efficiency, thus holding great promise for electrochemical applications. Herein, we describe the synthesis and electrochemical applications of Fc‐CPs and reveal how the incorporation of ferrocene units into coordination polymers containing other metals results in unprecedented properties. Moreover, we discuss the usage of Fc‐CPs in supercapacitors, batteries, and sensors as well as further applications of these polymers, for example in electrocatalysts, water purification systems, adsorption/storage systems.
Exploring the Reversibility of Phase Transformations in Aluminum Anodes through Operando Light Microscopy and Stress Analysis
Authors: Zheng Tianye , Kramer Dominik , Tahmasebi Mohammad H. , Mönig Reiner , Boles Steven T.
Published: October 2020

Aluminum is well‐known to possess attractive properties for possible use as an anode material in Li‐ion batteries (LIBs), but effort is still needed to understand how and why it degrades. Herein, investigations of the delithiation and the re‐lithiation processes in Al thin films using an established operando light microscopic platform are pursued. Operando videos highlight that the extraction of Li from the β phase (LiAl) is accompanied by fracture and crack formation leading to the detachment of the α phase (Al) from the rest of the electrode. The evolution of mechanical stress in Al thin film electrodes is tracked and shows severe stress asymmetry as phase transformations progress. Combining with the observations from light and electron microscopy, the mechanical stress during dealloying can be explained by Li solubility with the β phase, formation of cracks and of a highly porous Al nanostructure. Although the results pave a difficult path for utilization of the Al/LiAl/Al (α/β/α) phase transformations in future LIBs, they also suggest excellent opportunities when structural changes can be prevented, which otherwise impact the stability of Al‐based electrodes.
Emerging insights on the role of gasdermins in infection and inflammatory diseases
Authors: Tang Lipeng , Lu Chuanjian , Zheng Guangjuan , Burgering Boudewijn MT
Published: October 2020

The gasdermins, family of pore‐forming proteins, are emerging key regulators of infection, autoinflammation and antitumor immunity. Multiple studies have recently characterised their crucial roles in driving pyroptosis, a lytic pro‐inflammatory type of cell death. Additionally, gasdermins also act as key effectors of NETosis, secondary necrosis and apoptosis. In this review, we will address current understanding of the mechanisms of gasdermin activation and further describe the protective and detrimental roles of gasdermins in host defence and autoinflammatory diseases. These data suggest that gasdermins play a prominent role in innate immunity and autoinflammatory disorders, thereby providing potential new therapeutic avenues for the treatment of infection and autoimmune disease.
Diagnosing mild traumatic brain injury using saliva RNA compared to cognitive and balance testing
Authors: Hicks Steven D. , Onks Cayce , Kim Raymond Y. , Zhen Kevin J. , Loeffert Jayson , Loeffert Andrea C. , Olympia Robert P. , Fedorchak Gregory , DeVita Samantha , Rangnekar Aakanksha , Leddy John , Haider Mohammad N. , Gagnon Zofia , McLoughlin Callan D. , Badia Matthew , Randall Jason , Madeira Miguel , Yengo‐Kahn Aaron M. , Wenzel Justin , Heller Matthew , Zwibel Hallie , Roberts Aaron , Johnson Samantha , Monteith Chuck , Dretsch Michael N. , Campbell Thomas R. , Mannix Rebekah , Neville Christopher , Middleton Frank
Published: October 2020

Background

Early, accurate diagnosis of mild traumatic brain injury (mTBI) can improve clinical outcomes for patients, but mTBI remains difficult to diagnose because of reliance on subjective symptom reports. An objective biomarker could increase diagnostic accuracy and improve clinical outcomes. The aim of this study was to assess the ability of salivary noncoding RNA (ncRNA) to serve as a diagnostic adjunct to current clinical tools. We hypothesized that saliva ncRNA levels would demonstrate comparable accuracy for identifying mTBI as measures of symptom burden, neurocognition, and balance.

Methods

This case‐control study involved 538 individuals. Participants included 251 individuals with mTBI, enrolled ≤14 days postinjury, from 11 clinical sites. Saliva samples (n = 679) were collected at five time points (≤3, 4‐7, 8‐14, 15‐30, and 31‐60 days post‐mTBI). Levels of ncRNAs (microRNAs, small nucleolar RNAs, and piwi‐interacting RNAs) were quantified within each sample using RNA sequencing. The first sample from each mTBI participant was compared to saliva samples from 287 controls. Samples were divided into testing (n = 430; mTBI = 201 and control = 239) and training sets (n = 108; mTBI = 50 and control = 58). The test set was used to identify ncRNA diagnostic candidates and create a diagnostic model. Model accuracy was assessed in the naïve test set.

Results

A model utilizing seven ncRNA ratios, along with participant age and chronic headache status, differentiated mTBI and control participants with a cross‐validated area under the curve (AUC) of .857 in the training set (95% CI, .816‐.903) and .823 in the naïve test set. In a subset of participants (n = 321; mTBI = 176 and control = 145) assessed for symptom burden (Post‐Concussion Symptom Scale), as well as neurocognition and balance (ClearEdge System), these clinical measures yielded cross‐validated AUC of .835 (95% CI, .782‐.880) and .853 (95% CI, .803‐.899), respectively. A model employing symptom burden and four neurocognitive measures identified mTBI participants with similar AUC (.888; CI, .845‐.925) as symptom burden and four ncRNAs (.932; 95% CI, .890‐.965).

Conclusion

Salivary ncRNA levels represent a noninvasive, biologic measure that can aid objective, accurate diagnosis of mTBI.
The succession of bacterial and fungal communities during decomposition of two hygrophytes in a freshwater lake wetland
Authors: Ma Yantian , Huang Shihao , Gan Zhiwei , Xiong Yong , Cai Runfa , Liu Yajun , Wu Lan , Ge Gang
Published: October 2020

The study of litter decomposition was often tightly linked to some hot topics such as global carbon balance and climate change, but the knowledge of microbes involved in litter decomposition remains limited especially in freshwater lake wetlands. An in situ experiment (278 d) was carried out to study the decomposition processes of two typical wetland plants—Carex cinerascens and Triarrhena lutarioriparia. The litter decay rate, extracellular enzyme, and microbial community composition were all observed. The decomposition rate of C. cinerascens was faster than T. lutarioriparia. Higher contents of TOC, TN, and TP conferred higher decomposition rate to C. cinerascens, as well as the higher activities of all tested enzymes and the lower content of lignin. The alpha diversity of bacterial and fungal communities changed separately over time, but their copy numbers of the rRNA gene (qPCR) increased collectively in both litters. Betaproteobacteria, Gammaproteobacteria, Bacteroidetes, and Basidiomycota were common in the primary stage (0–37 d) of decay in both litters, while Alphaproteobacteria, Chloroflexi, Nitrospirae, and Montagnulaceae were prevailing in the later stage (212–278 d). T. lutarioriparia also had higher proportions of Actinobacteria, Acidobacteria, and Firmicutes in the later stage. Pleosporales and Hypocreales were predominant during the whole decay processes of both litters. Our results showed that the microbial community composition was mainly regulated by litter stoichiometry (hemicellulose, lignin, and AFDM), thereby reflecting the niches differentiation caused by resource partitioning on litter decomposition. This work helps to the understanding of the microbial community involved in litter decomposition in wetland ecosystems.
Reconsidering the fire ecology of the iconic American chestnut
Authors: Kane Jeffrey M. , Varner J. Morgan , Stambaugh Michael C. , Saunders Michael R.
Published: October 2020

The iconic American chestnut (Castanea dentata) once spanned a large portion of eastern North America before its functional extinction in the early 20th century due primarily to non‐native fungal pathogens. The pronounced loss of this species likely resulted in an abrupt alteration of many ecological processes, including fire. The potential to resurrect this species through resistance breeding or other methods holds promise, but more information on the fire ecology of American chestnut may provide helpful information to assist restoration. Here we summarize the existing direct and indirect research on the fire history and fire ecology within the former range of American chestnut. We found multiple lines of evidence to suggest fire was frequent throughout much of its historical range. A broadscale analysis of historical fire frequency revealed that 88% of the American chestnut range had a mean fire return interval of 20 yr or less, corresponding to finer‐scale fire history and forest structure studies. In much of the historical range of American chestnut, the stand structure was much more open, fire scar studies of associated species were very frequent (mean fire return interval ranged between 1.9 and 19.8 yr), and, in many cases, charcoal abundance and American chestnut pollen were positively related. This evidence coupled with American chestnut’s suite of traits associated with tolerance of frequent fire, such as highly flammable litter, tall stature, rapid growth, and resprouting ability, reinforce concepts that fire was historically an important component of many woodlands and forests containing American chestnut. While these lines of evidence are strongly suggestive, we provide potential areas of further inquiry to expand and refine our understanding of American chestnut fire ecology.
Integration of a palliative approach into heart failure care: a European Society of Cardiology Heart Failure Association position paper
Authors: Hill Loreena , Prager Geller Tal , Baruah Resham , Beattie James M. , Boyne Josiane , de Stoutz Noemi , Di Stolfo Giuseppe , Lambrinou Ekaterini , Skibelund Anne K. , Uchmanowicz Izabella , Rutten Frans H. , Čelutkienė Jelena , Piepoli Massimo Francesco , Jankowska Ewa A. , Chioncel Ovidiu , Ben Gal Tuvia , Seferovic Petar M. , Ruschitzka Frank , Coats Andrew J.S. , Strömberg Anna , Jaarsma Tiny
Published: October 2020

The Heart Failure Association of the European Society of Cardiology has published a previous position paper and various guidelines over the past decade recognizing the value of palliative care for those affected by this burdensome condition. Integrating palliative care into evidence‐based heart failure management remains challenging for many professionals, as it includes the identification of palliative care needs, symptom control, adjustment of drug and device therapy, advance care planning, family and informal caregiver support, and trying to ensure a ‘good death’. This new position paper aims to provide day‐to‐day practical clinical guidance on these topics, supporting the coordinated provision of palliation strategies as goals of care fluctuate along the heart failure disease trajectory. The specific components of palliative care for symptom alleviation, spiritual and psychosocial support, and the appropriate modification of guideline‐directed treatment protocols, including drug deprescription and device deactivation, are described for the chronic, crisis and terminal phases of heart failure.
Electrochemical Methods for Assessment of Polytrauma Outcomes
Authors: Goroncharovskaya Irina V. , Evseev Anatoly K. , Shabanov Aslan K. , Denisenko Oleg , Kuzovlev Artem N. , Klychnikova Elena V. , Tazina Elizaveta V. , Petrikov Sergey S.
Published: October 2020

In this work we used electrochemical methods, open circuit potential (OCP) measurement with platinum electrode, and cyclic voltammetry (CV) in blood serum to assess redox states in patients with polytrauma (n=56) that allow to evaluate probability of survival early on, and therefore have the potential to improve therapy outcomes. Electrochemical assessment of redox states in sera samples correlated with traditional methods of prooxidant/antioxidant balance quantification. OCP and quantity of electricity passed (Q), calculated from CVs, were significantly different between the survivors and non‐survivors. Patients with Q>22 μC (day 1) and OCP>34 mV (day 3) had low chance of survival.
Physicochemical Properties of Nitrogen Doped Carbon Nano‐onions Grown by Flame Pyrolysis from Grapeseed Oil for Use in Supercapacitors
Authors: Shaku Bokome , Mofokeng Thapelo P. , Mongwe Thomas H. , Coville Neil J. , Ozoemena Kenneth I. , Maubane‐Nkadimeng Manoko S.
Published: October 2020

A low cost synthesis of catalyst free carbon nano‐onions (CNOs) and nitrogen post doped CNOs (N−CNOs) using grapeseed oil is reported. Successful incorporation of nitrogen atoms into the lattice of CNOs was confirmed by XPS, resulting in 1.7 % nitrogen content. BET and Raman analysis showed an increase in the specific surface area and the ID/IG ratio of carbon, respectively after N incorporation. The specific capacitance of the CNOs increased upon nitrogen doping and as a result, N−CNOs exhibited superior electrochemical performance compared to pristine CNOs. Our results demonstrate that N−CNOs are a promising electrode material for energy storage in supercapacitors.
Modeling short‐ranged dependence in block extrema with application to polar temperature data
Authors: Russell Brook T. , Huang Whitney K.
Published: October 2020

The block maxima approach is an important method in univariate extreme value analysis. While assuming that block maxima are independent results in straightforward analysis, the resulting inferences maybe invalid when a series of block maxima exhibits dependence. We propose a model, based on a first‐order Markov assumption, that incorporates dependence between successive block maxima through the use of a bivariate logistic dependence structure while maintaining generalized extreme value (GEV) marginal distributions. Modeling dependence in this manner allows us to better estimate extreme quantiles when block maxima exhibit short‐ranged dependence. We demonstrate via a simulation study that our first‐order Markov GEV model performs well when successive block maxima are dependent, while still being reasonably robust when maxima are independent. We apply our method to two polar annual minimum air temperature data sets that exhibit short‐ranged dependence structures, and find that the proposed model yields modified estimates of high quantiles.
Experimental studies on space heating using phase change material
Authors: Agarwal Shikhar , Anand Vansh , Banker Nitin D. , Biswal Pratibha
Published: October 2020

This paper deals with the experimental investigation of convection heating of air inside an experimental chamber similar to a room prototype. A solid‐liquid phase change material (PCM) is used for space heating of the room. A PCM carrier made up of aluminum is placed at various locations in the experimental chamber. The PCM is heated in a water bath and the water in the bath can be heated via solar energy. A theoretical insight highlighting the usage of the current heating system involving the water bath and solar energy is also briefly discussed. The analysis is carried out for various temperatures representing mild winter temperatures in most of the regions in India. Temperature measurements were performed inside the air cavity as well as near the PCM carrier during the air heating process. Three different PCM carriers with different aspect ratios have been used to test the effect of different orientations on space heating. Further, the PCM carrier was kept at two different locations inside the chamber to observe the effect of location on space heating. A new dimensionless temperature has been defined to compare the effect on room air with each PCM configuration.