bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractA 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

AbstractThere 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

AbstractObjectivesTo 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 & MethodsA 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.ConclusionsPatients 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

AbstractCreation 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

AbstractBackgroundDopamine 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.MethodsThe 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.ResultsDopamine 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.ConclusionDopamine 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.
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

AbstractPseudoaneurysm (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

AbstractThe 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

AbstractThe 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

AbstractNitro‐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

AbstractA 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

AbstractSix 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

AbstractThe 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

AbstractStereoselective 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

AbstractUnder 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

AbstractA 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

AbstractFerrocene 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

AbstractAluminum 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.