bluuebunny/crossref_metadata_2025 huggingface dataset:
Rational Design of Functional Peptide–Gold Hybrid Nanomaterials for Molecular Interactions
Authors: Liu Xiaohu , Zhang Qingwen , Knoll Wolfgang , Liedberg Bo , Wang Yi
Published: August 2020

Gold nanoparticles (AuNPs) have been extensively used for decades in biosensing‐related development due to outstanding optical properties. Peptides, as newly realized functional biomolecules, are promising candidates of replacing antibodies, receptors, and substrates for specific molecular interactions. Both peptides and AuNPs are robust and easily synthesized at relatively low cost. Hence, peptide–AuNP‐based bio‐nano‐technological approaches have drawn increasing interest, especially in the field of molecular targeting, cell imaging, drug delivery, and therapy. Many excellent works in these areas have been reported: demonstrating novel ideas, exploring new targets, and facilitating advanced diagnostic and therapeutic technologies. Importantly, some of them also have been employed to address real practical problems, especially in remote and less privileged areas. This contribution focuses on the application of peptide–gold hybrid nanomaterials for various molecular interactions, especially in biosensing/diagnostics and cell targeting/imaging, as well as for the development of highly active antimicrobial/antifouling coating strategies. Rationally designed peptide–gold nanomaterials with functional properties are discussed along with future challenges and opportunities.
Devising Materials Manufacturing Toward Lab‐to‐Fab Translation of Flexible Electronics
Authors: Luo Yifei , Wang Ming , Wan Changjin , Cai Pingqiang , Loh Xian Jun , Chen Xiaodong
Published: August 2020

Flexible electronics have witnessed exciting progress in academia over the past decade, but most of the research outcomes have yet to be translated into products or gain much market share. For mass production and commercialization, industrial adoption of newly developed functional materials and fabrication techniques is a prerequisite. However, due to the disparate features of academic laboratories and industrial plants, translating materials and manufacturing technologies from labs to fabs is notoriously difficult. Therefore, herein, key challenges in the materials manufacturing of flexible electronics are identified and discussed for its lab‐to‐fab translation, along the four stages in product manufacturing: design, materials supply, processing, and integration. Perspectives on industry‐oriented strategies to overcome some of these obstacles are also proposed. Priorities for action are outlined, including standardization, iteration between basic and applied research, and adoption of smart manufacturing. With concerted efforts from academia and industry, flexible electronics will bring a bigger impact to society as promised.
Room‐Temperature Colossal Magnetoresistance in Terraced Single‐Layer Graphene
Authors: Hu Junxiong , Gou Jian , Yang Ming , Omar Ganesh Ji , Tan Junyou , Zeng Shengwei , Liu Yanpeng , Han Kun , Lim Zhishiuh , Huang Zhen , Wee Andrew Thye Shen , Ariando Ariando
Published: August 2020

Disorder‐induced magnetoresistance (MR) effect is quadratic at low perpendicular magnetic fields and linear at high fields. This effect is technologically appealing, especially in 2D materials such as graphene, since it offers potential applications in magnetic sensors with nanoscale spatial resolution. However, it is a great challenge to realize a graphene magnetic sensor based on this effect because of the difficulty in controlling the spatial distribution of disorder and enhancing the MR sensitivity in the single‐layer regime. Here, a room‐temperature colossal MR of up to 5000% at 9 T is reported in terraced single‐layer graphene. By laminating single‐layer graphene on a terraced substrate, such as TiO2‐terminated SrTiO3, a universal one order of magnitude enhancement in the MR compared to conventional single‐layer graphene devices is demonstrated. Strikingly, a colossal MR of >1000% is also achieved in the terraced graphene even at a high carrier density of ≈1012 cm−2. Systematic studies of the MR of single‐layer graphene on various oxide‐ and non‐oxide‐based terraced surfaces demonstrate that the terraced structure is the dominant factor driving the MR enhancement. The results open a new route for tailoring the physical property of 2D materials by engineering the strain through a terraced substrate.
A Single‐Pixel RGB Device in a Colorful Alphanumeric Electrofluorochromic Display
Authors: Zhang Weiran , Zhang Yu‐Mo , Xie Fuli , Jin Xuchao , Li Jing , Yang Guojian , Gu Chang , Wang Yuyang , Zhang Sean Xiao‐An
Published: August 2020

With the rapid development of human society, consumer electronics have brought marvelous changes to human daily life, but they are accompanied by the much higher demand of display quality and visual experience. Therefore, ideal conversion among the three primary colors—red (R), green (G), and blue (B)—in a single pixel has been a better way to avoid the insurmountable technical barrier of subpixel technology of modern displays. Electrofluorochromic (EFC) materials capable of a novel luminescent switching, open a powerful way to design optoelectronic devices for displays and information storage etc. Colorful EFC devices, especially emitting the ideal three primary colors without subpixel technology, have been a challenge for years. Herein, a long‐awaited single‐pixel device with RGB color is fabricated successfully based on proton‐coupled electron transfer. The RGB EFC device exhibits outstanding EFC properties, such as low turn‐on voltage (+1.0 and −1.0 V), large color gamut, and good stability (500 cycles for each color). Prototypes of colorful alphanumeric displays are well demonstrated in a facile way. The success of this new exploration of single‐pixel RGB EFC device not only provides the possibility of full‐color emission in EFC devices, but also will widely broaden the EFC system and their applications.
Self‐Assembly of Colloidal Nanoparticles into Well‐Ordered Centimeter‐Long Rods via Crack Engineering
Authors: Xie Jingli , Guo Junchang , Wang Dehui , Cang Yu , Zhang Wenluan , Zhou Jiajia , Peng Bo , Li Yanbo , Cui Jiaxi , Chen Longquan , Fytas George , Deng Xu
Published: August 2020

Self‐assembly of colloidal nanoparticles (NPs) is widely employed in nanofabrication to have regulated shape with fascinating functions. However, to have a specific desired shape at centimeter‐scale without template is challenging. Herein, by harnessing the colloidal nanoparticle thin film crack engineering, robust and highly transparent centimeter‐scale rods with uniform width and thickness are obtained. The dimension of these rods can be tailored via controlling the solvent composition, NPs volume fraction, and suspension descending rate. Their mechanical stiffness and elastic properties can be further improved by thermal annealing. It is demonstrated that these rods can be used as probes for surface enhanced Raman scattering detection making use of their rich nanostructured surface. This crack engineering strategy can be used as a universal method to assemble the nanoscale colloids into centimeter‐scale rods for analytical and photoelectrical applications.
Unconventional Device and Material Approaches for Monolithic Biointegration of Implantable Sensors and Wearable Electronics
Authors: Koo Ja Hoon , Song Jun‐Kyul , Yoo Seungwon , Sunwoo Sung‐Hyuk , Son Donghee , Kim Dae‐Hyeong
Published: August 2020

Implantable biosensors and wearable bioelectronics need to be intimately interfaced with soft human tissues for a high‐quality health diagnosis and feedback therapy. Despite the recent developments in these devices, it is essential to further enhance their performance and functionalities in order to facilitate the formation of intimate interfaces between the devices and the human body. This will help minimize the unwanted injuries to target tissues, enhance the efficiency of sensing and therapy, and achieve long‐term biocompatibility. In this regard, the physiological and mechanical properties of the target tissues need to be considered carefully when designing the materials and devices to be employed in implantable and wearable electronics. Herein, a discussion of the recent developments in implantable biosensors and wearable electronics, based on unconventional device designs and material approaches, is presented. This review particularly focuses on the design principles of devices and materials that enable an intimate integration of biosensing devices with soft tissues and target organs. In addition, recent developments of electronics employed in stand‐alone wearable biomedical systems, such as wearable displays and energy devices, are presented. Moreover, future prospects for emerging approaches that could enable further developments of implantable biosensors and wearable electronics are also discussed.
Functionalized Block Co‐Polymer Pro‐Drug Nanoparticles with Anti‐Cancer Efficacy in 3D Spheroids and in an Orthotopic Triple Negative Breast Cancer Model
Authors: Taresco Vincenzo , Abelha Thais F. , Cavanagh Robert J. , Vasey Catherine E. , Anane‐Adjei Akosua B. , Pearce Amanda K. , Monteiro Patrícia F. , Spriggs Keith A. , Clarke Philip , Ritchie Alison , Martin Stewart , Rahman Ruman , Grabowska Anna M. , Ashford Marianne B. , Alexander Cameron
Published: August 2020

Amphiphilic block co‐polymers composed of poly(ethylene glycol)‐co‐poly(lactide)‐co‐poly(2‐((tert‐butoxycarbonyl)amino)‐3‐propyl carbonate) (PEG‐pLA‐pTBPC) are synthesized in monomer ratios and arrangements to enable assembly into nanoparticles with different sizes and architectures. These materials are based on components in clinical use, or known to be biodegradable, and retain the same fundamental chemistry across “AB” and “BAB” block architectures. In MCF7 and MDA‐MB‐231 breast cancer cells, nanoparticles of <100 nm are internalized most rapidly, by both clathrin‐ and caveolin‐mediated pathways. In THP‐1 cells, polymer architecture and length of the hydrophilic block is the most important factor in the rate of internalization. The organ distributions of systemically injected nanoparticles in healthy mice indicate highest accumulation of the BAB‐blocks in lungs and liver and the lowest accumulation in these organs of a methoxyPEG5000‐pLA‐pTBPC polymer. Conjugation of doxorubicin via a serum‐stable urea linker to the carbonate regions of PEG5000‐pLA‐pTBPC generates self‐assembling nanoparticles which are more cytotoxic in 2D, and penetrate further in 3D spheroids of triple negative breast cancer cells, than the free drug. In an aggressive orthotopic triple negative breast cancer mouse model, the methoxyPEG5000‐pLA‐pTBPC is of similar potency to free doxorubicin but with no evidence of adverse effects in terms of body weight.
Spatial Distribution Recast for Organic Bulk Heterojunctions for High‐Performance All‐Inorganic Perovskite/Organic Integrated Solar Cells
Authors: Chen Weijie , Li Dong , Chen Shanshan , Liu Shuo , Shen Yunxiu , Zeng Guang , Zhu Xiaozhang , Zhou Erjun , Jiang Lin , Li Yaowen , Li Yongfang
Published: August 2020

All‐inorganic CsPbIBr2 perovskite solar cells (pero‐SCs) exhibit excellent overall stability, but their power conversion efficiencies (PCEs) are greatly limited by their wide bandgaps. Integrated solar cells (ISCs) are considered to be an emergent technology that could extend their photoresponse by directly stacking two distinct photoactive layers with complementary bandgaps. However, rising photocurrents always sacrifice other photovoltaic parameters, thereby leading to an unsatisfactory PCE. Here, a recast strategy is proposed to optimize the spatial distribution components of low‐bandgap organic bulk‐heterojunction (BHJ) film, and is combined with an all‐inorganic perovskite to construct perovskite/BHJ ISCs. With this strategy, the integrated perovskite/BHJ film with a top‐enriched donor‐material spatial distribution is shown to effectively improve ambipolar charge transport behavior and suppress charge carrier recombination. For the first time, the ISC is not only significantly extended and enhanced the photoresponse achieving a 20% increase in current density, but also exhibits a high open‐circuit voltage and fill factor at the same time. As a result, a record PCE of 11.08% based on CsPbIBr2 pero‐SCs is realized; it simultaneously shows excellent long‐term stability against heat and ultraviolet light.
NMR‐Studien an biologischen Makromolekülen (>100 kDa) ohne Notwendigkeit der Deuterierung: Das XL‐ALSOFAST Experiment mit verzögerter Entkopplung
Authors: Rößler Philip , Mathieu Daniel , Gossert Alvar D.
Published: August 2020

Die aktuelle strukturbiologische Forschung fokussiert sich zunehmend auf humane Proteine und deren Komplexe. Diese Proteine müssen häufig in höheren eukaryotischen Expressionssystemen produziert werden, in welchen die Deuterierung des Proteins nur schwer umzusetzen ist. Dies limitiert die Anwendungsmöglichkeiten der NMR‐Spektroskopie stark für diese Systeme. In diesem Artikel präsentieren wir das XL‐ALSOFAST‐[13C,1H]‐HMQC‐Experiment, welches sich durch eine stark verbesserte Sensitivität auf vollständig protonierten, hochmolekularen Komplexen auszeichnet. Im Durchschnitt konnte bei den getesteten Systemen mit Massen zwischen 100 und 240 kDa eine Verbesserung der Sensitivität um den Faktor drei erzielt werden, verglichen mit den aktuell besten publizierten Experimenten. Das Prinzip des XL‐ALSOFAST beruht auf der optimalen Nutzung von passiver Magnetisierung und der Minimierung von transversaler Relaxation durch das in diesem Artikel eingeführte Konzept der verzögerten Entkopplung. Die Kombination aus hoher Sensitivität und überlegener Artefaktunterdrückung macht XL‐ALSOFAST ideal für Untersuchungen an instabilen Membranproteinen oder zur Analyse von therapeutischen Antikörpern bei natürlicher13C‐Häufigkeit. XL‐ALSOFAST und das Konzept der verzögerten Entkopplung wird daher mehr biologisch relevante Systeme für die NMR‐Spektroskopie zugänglich machen.
Programmable Live‐Cell CRISPR Imaging with Toehold‐Switch‐Mediated Strand Displacement
Authors: Hao Yaya , Li Jiang , Li Qian , Zhang Luhao , Shi Jiye , Zhang Xueli , Aldalbahi Ali , Wang Lihua , Fan Chunhai , Wang Fei
Published: August 2020

The widespread application of CRISPR‐Cas9 has transformed genome engineering. Nevertheless, the precision to control the targeting activity of Cas9 requires further improvement. We report a toehold‐switch‐based approach to engineer the conformation of single guide RNA (sgRNA) for programmable activation of Cas9. This activation circuit is responsive to multiple inputs and can regulate the conformation of the sgRNA through toehold‐switch‐mediated strand displacement. We demonstrate the orthogonal suppression and activation of Cas9 with orthogonal DNA inputs. Combination of toehold switches leads to a variety of intracellular Cas9 activation programs with simultaneous and orthogonal responses, through which multiple genome loci are displayed in different colors in a controllable manner. This approach provides a new route for programing CRISPR in living cells for genome imaging and engineering.
J‐Aggregate‐Based FRET Monitoring of Drug Release from Polymer Nanoparticles with High Drug Loading
Authors: Liu Yun , Yang Guangze , Jin Song , Zhang Run , Chen Peng , Tengjisi  , Wang Lianzhou , Chen Dong , Weitz David A. , Zhao Chun‐Xia
Published: August 2020

Understanding drug‐release kinetics is critical for the development of drug‐loaded nanoparticles. We developed a J‐aggregate‐based Förster‐resonance energy‐transfer (FRET) method to investigate the release of novel high‐drug‐loading (50 wt %) nanoparticles in comparison with low‐drug‐loading (0.5 wt %) nanoparticles. Single‐dye‐loaded nanoparticles form J‐aggregates because of the high dye‐loading (50 wt %), resulting in a large red‐shift (≈110 nm) in the fluorescence spectrum. Dual‐dye‐loaded nanoparticles with high dye‐loading using FRET pairs exhibited not only FRET but also a J‐aggregate red‐shift (116 nm). Using this J‐aggregate‐based FRET method, dye‐core–polymer‐shell nanoparticles showed two release processes intracellularly: the dissolution of the dye aggregates into dye molecules and the release of the dye molecules from the polymer shell. Also, the high‐dye‐loading nanoparticles (50 wt %) exhibited a slow release kinetics in serum and relatively quick release in cells, demonstrating their great potential in drug delivery.
Membrane Chemistry Tunes the Structure of a Peptide Transporter
Authors: Lasitza‐Male Tanya , Bartels Kim , Jungwirth Jakub , Wiggers Felix , Rosenblum Gabriel , Hofmann Hagen , Löw Christian
Published: August 2020

Membrane proteins require lipid bilayers for function. While lipid compositions reach enormous complexities, high‐resolution structures are usually obtained in artificial detergents. To understand whether and how lipids guide membrane protein function, we use single‐molecule FRET to probe the dynamics of DtpA, a member of the proton‐coupled oligopeptide transporter (POT) family, in various lipid environments. We show that detergents trap DtpA in a dynamic ensemble with cytoplasmic opening. Only reconstitutions in more native environments restore cooperativity, allowing an opening to the extracellular side and a sampling of all relevant states. Bilayer compositions tune the abundance of these states. A novel state with an extreme cytoplasmic opening is accessible in bilayers with anionic head groups. Hence, chemical diversity of membranes translates into structural diversity, with the current POT structures only sampling a portion of the full structural space.
Ultrasonic‐assisted exfoliation for 2D Zn(Bim)(OAc) nanosheets used as an oil‐soluble additive in lubricants
Authors: Wang Fei‐Fei , Liu Zan , Cheng Zhi‐Lin
Published: August 2020

The interface issue of two‐dimensional (2D) nanomaterials has seriously restricted their applications in the past. To date, there have been few reports on the friction behavior of 2D MOFs. Herein, 2D Zn(Bim)(OAc) metal–organic framework structure nanosheets with a thickness of ca. 4 nm were successfully prepared via convenient ultrasonic‐assisted exfoliation in solvents. For the first time, we probed the dispersion performance of the as‐obtained 2D Zn(Bim)(OAc) in different oils, and intensively investigated the tribological behavior. The results indicated that the as‐obtained 2D Zn(Bim)(OAc) used as an additive showed the preferable friction reducing performance and wear resistance in liquid paraffin, and showed the better dispersivity in glycerol.
Regeneration of sulfate‐rich postcombustion capture amines through reactive crystallisation
Authors: Garg Bharti , Pearson Pauline , Cousins Ashleigh , McKnight Stafford , Verheyen Vincent
Published: August 2020

Flue gas desulfurisation is a prerequisite for successful CO2 capture in coal‐fired power stations utilising aqueous amine absorbents. For nations like Australia, where there is nonexistence of mandatory flue gas desulfurisation, this increases the cost for power plants retrofitting CO2 capture. The CSIRO's CS‐Cap process, a potentially low cost method for combined CO2 and SO2 capture, provides an alternate sulfur management solution to such plants. The CS‐Cap process, however, results in high sulfur‐loaded amines that require continuous regeneration to retain cost benefits. Reactive crystallisation by KOH addition is shown to be successful in removing the bulk of the sulfate from aqueous amines without any additional heating or cooling requirements. Increasing initial sulfate loading by amine recycling initially improves sulfate removal efficiency, up to the postsaturation level where the systems ionic strength determines further sulfate solubility. Oxidative amine degradation had no significant effect on the precipitation efficiency or purity of K2SO4 crystals apart from their slight discoloration. The behaviour of the residual potassium in these regenerated aqueous amines needs further investigation as it could lead to unwanted precipitation inside the absorber column and other parts of the process.
Contextualizing ecological performance: Rethinking monitoring in marine protected areas
Authors: Dunham Anya , Dunham Jason S. , Rubidge Emily , Iacarella Josephine C. , Metaxas Anna
Published: August 2020

The global extent of marine protected areas (MPAs) has increased rapidly in the last decade, and monitoring and evaluation are now required for effective and adaptive management of these areas.

We classify monitoring in MPAs into four categories and identify a critically important, but undervalued category: human pressure monitoring that targets human activities and their impacts.

Human pressure monitoring is fundamental for interpreting the results of ecological performance monitoring and for evaluating MPA management effectiveness. The consequences of ecological performance monitoring that show unsuccessful MPA performance while falsely assuming successful mitigation of human pressures could jeopardize MPA performance analysis and adaptive management, and thus be worse than not monitoring at all.

Human pressure monitoring enables using MPAs as reference areas where the effects of global or regional pressures (e.g. climate change) can be disentangled from the effects of local human activities, as well as to minimize the shifting baseline phenomenon in defining healthy stocks. These benefits cannot be realized without active human pressure monitoring integrated into an adaptive management cycle that ensures effective MPA protection.

In the absence of human pressure monitoring, all ecological monitoring within MPAs falls in the ambient monitoring category: monitoring that is not intended to measure conservation outcomes.

We discuss the implications for monitoring programme design and provide a structure for decision‐makers on how to prioritize monitoring activities within MPAs that place greater emphasis on improving MPAs as biodiversity conservation tools over proving MPA performance.
Hybrid Cobalt and Iron Based Metal Organic Framework Composites as Efficient Bifunctional Electrocatalysts towards Long‐Lasting Flexible Zinc‐Air Batteries
Authors: Li Weixin , Wu Chen , Ren Hao , Fang Wei , Zhao Lei , Dinh Khang Ngoc
Published: August 2020

Highly efficient and stable oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) bifunctional electrocatalysts are urgently needed to realize the implementation of flexible rechargeable Zn‐air batteries (ZABs). Herein, a series of hybrid Co and Fe based metal‐organic frameworks (HCF‐MOFs) are rationally designed and synthesized. The HCF‐MOFs are directly used as electrocatalysts to enable oxygen catalysis. The unique hierarchical structure provides porous channels and ensures high exposure of metal sites, thus boosting the electrocatalytic activity. By composition regulation, the coordination environment of the active centers can be effectively modulated to achieve superior bifunctional oxygen electrocatalytic performance. Specifically, an OER overpotential of only 295 mV at 10 mA cm−2 and an ORR half‐wave potential of 0.82 V are obtained by the activated HCF‐MOF, outperforming those of commercial RuO2 and Pt/C. The results elucidate that HCF‐MOF/OOH is formed during oxygen evolution, and serves as the active center. When combined with polyacrylate hydrogel electrolyte, the quasi‐solid‐state flexible ZAB based on HCF‐MOF‐3 delivers the maximum power density of 113.5 mW cm−2, surpassing the Pt/C−RuO2 counterpart. Significantly, the battery exhibits excellent durability whilst being subjected to bending tests. This work demonstrates the prospect of these HCF‐MOFs as bifunctional electrocatalysts for high‐performance ZABs.
The impact of fast fashion retailers' sustainable collections on corporate legitimacy: Examining the mediating role of altruistic attributions
Authors: Miotto Giorgia , Youn Seounmi
Published: August 2020

In the context of the fast fashion industry, this study examined the efficacy of sustainable collections in achieving corporate legitimacy. We examine the ethical branding and organizational legitimacy relationship in the context of the fast fashion industry. We conducted an online experiment with the use of Amazon MTurk in the Unites States. The data were collected from female fast fashion users (N = 389). The data analysis revealed that fast fashion retailers' sustainable collections had a positive impact on corporate legitimacy, CSR perception, brand trust, and purchase intention. This study also uncovered that the company's sustainable collections increased consumers' attributions to altruistic motives and consumers' altruistic attributions had a positive influence on corporate legitimacy, CSR perception, brand trust, and purchase intention. Furthermore, this study found the mediating role of altruistic attributions in explaining the impact of sustainable collections on these four outcome variables. Regarding the sustainable collections' design and production, managerial implications are described as the need to communicate the ethical approach and efforts.
Cranial solitary osseous plasmacytoma and subjacent amyloid deposition in a dog
Authors: Alcoverro Emili , Sánchez‐Masián Daniel , Ricci Emanuele , Schiborra Frederike , Morris Joanna , Finotello Riccardo
Published: August 2020

Solitary osseous plasmacytomas affecting the vertebrae, the zygomatic arch, and ribs occur in dogs. In this report, we describe clinical and imaging features of a solitary osseous plasmacytoma affecting the skull with deposition of amyloid forming a mass‐like lesion. To the authors' knowledge, no similar cases have been reported before.
Brain abscess and periodontal pathogens (Fusobacterium Nucleatum). Report of a case
Authors: Franceschi Debora , Giuliani Valentina , Giuntini Veronica , Pini Prato Giovanpaolo
Published: August 2020

Patients who develop brain abscesses must be evaluated through a complete set of diagnostic tests including a microbiological and clinical periodontal assessment. A genetic comparison of the pathogens from intracranial/extracranial sites is necessary.
Mass Transfer Flux of CO2 into Methyldiethanolamine Solution in a Reactive‐Absorption Process
Authors: Ghaemi Ahad , Behroozi Amir Hossein , Mashhadimoslem Hossein
Published: August 2020

The mass transfer parameters of both gas and liquid phases affect the mass transfer flux of CO2 in absorption processes. In this study, an accurate correlation is proposed to calculate the CO2 mass transfer flux in an absorption‐reactive process by methyldiethanolamine (MDEA) solution using the Buckingham π theorem. The various parameters include film parameter, CO2 loading, concentration ratio, partial‐to‐total pressure ratio, film thickness ratio, and diffusion ratio which are incorporated in the model. An average absolute relative error of 4.4 % for the calculation of mass transfer flux was stated.
Optimization Investigation on Operating Parameters of a Scrubbing Tower Using a Genetic Algorithm
Authors: Wang Simin , Wang Jiarui , Song Chen , Wen Jian
Published: August 2020

To solve the problem of coke powder entrainment towards the main fractionator in a delayed coking unit, an open scrubbing tower can be installed instead of filtration. Based on a particle scavenging model, a gas‐liquid‐solid three‐phase numerical method was adopted to simulate the process of particle removal. Besides, the effects of particle size, droplet size, gas velocity, and droplet flow rate are quantitatively assessed using the genetic aggregation response surface method. The results indicate that the formation of a liquid film can promote the heat transfer and particle removal. The collection efficiencies of interception and diffusion are much less than that of impaction. After response surface analysis, the local sensitivity of operating parameters and the optimized point are obtained.
An Approach to the Electroanalysis of Electrode Passivating Analytes: The Determination of Phenol
Authors: Wang Yuanzhe , Compton Richard G
Published: August 2020

The electrode‐passivating species, phenol, was electrochemically determined by using semicircular sweep voltammetry on a basal‐plane pyrolytic graphite (BPPG) electrode. The electrode fouling caused by the polymerization of phenol was prevented at low concentrations by introducing a second species, 4‐amino‐2,6‐dichlorophenol (PAP), to prevent the polymerization of phenol in the vicinity of the electrode surface. Semicircular sweep voltammetry was used to amplify the analytical signal, realizing the detection of phenol in the concentration range of 25–800 μM without problems of electrode fouling.
High Enzyme Activity of a Binuclear Nickel Complex Formed with the Binding Loops of the NiSOD Enzyme**
Authors: Kelemen Dóra , May Nóra V. , Andrási Melinda , Gáspár Attila , Fábián István , Lihi Norbert
Published: August 2020

Detailed equilibrium, spectroscopic and superoxide dismutase (SOD) activity studies are reported on a nickel complex formed with a new metallopeptide bearing two nickel binding loops of NiSOD. The metallopeptide exhibits unique nickel binding ability and the binuclear complex is a major species with 2×(NH2,Namide,S−,S−) donor set even in an equimolar solution of the metal ion and the ligand. Nickel(III) species were generated by oxidizing the NiII complexes with KO2 and the coordination modes were identified by EPR spectroscopy. The binuclear complex formed with the binding motifs exhibits superior SOD activity, in this respect it is an excellent model of the native NiSOD enzyme. A detailed kinetic model is postulated that incorporates spontaneous decomposition of the superoxide ion, the dismutation cycle and fast redox degradation of the binuclear complex. The latter process leads to the elimination of the SOD activity. A unique feature of this system is that the NiIII form of the catalyst rapidly accumulates in the dismutation cycle and simultaneously the NiII form becomes a minor species.
FeIII48‐Containing 96‐Tungsto‐16‐Phosphate: Synthesis, Structure, Magnetism and Electrochemistry
Authors: Goura Joydeb , Bassil Bassem S. , Bindra Jasleen K. , Rutkowska Iwona A. , Kulesza Pawel J. , Dalal Naresh S. , Kortz Ulrich
Published: August 2020

The 48‐FeIII‐containing 96‐tungsto‐16‐phosphate, [FeIII48(OH)76(H2O)16(HP2W12O48)8]36− (Fe48), has been synthesized and structurally characterized. This polyanion comprises eight equivalent {FeIII6P2W12} units that are linked in an end‐on fashion forming a macrocyclic assembly that contains more iron centers than any other polyoxometalate (POM) known to date. The novel Fe48 was synthesized by a simple one‐pot reaction of an {Fe22} coordination complex with the hexalacunary {P2W12} POM precursor in water. The title polyanion was characterized by single‐crystal XRD, FTIR, TGA, magnetic and electrochemical studies.
Stack by Stack: From the Free Cyclopentadienylgermanium Cation Via Heterobimetallic Main‐Group Sandwiches to Main‐Group Sandwich Coordination Polymers
Authors: Schorpp Marcel , Krossing Ingo
Published: August 2020

Heterobimetallic cationic sandwich complexes [M(μ‐Cp)M′Cp]+ of group 13 (M=Ga, In) and group 14 (M′=Ge, Sn) elements have been prepared as [WCA]− salts (WCA=Al(ORF)4; ORF=OC(CF3)3). Their molecular structures include free apical gallium or indium atoms. The sandwich complexes were formed in the reactions of [M(HMB)]+[WCA]− (HMB=C6Me6) with the free metallocenes [M′Cp2]. Their structures are related to known stannocene and stannocenium salts; the unprecedented germanium analogues, namely the free germanocenium cation [GeCp]+ and the corresponding triple‐decker complex cation [CpGe(μ‐Cp)GeCp]+, are described herein. By variation of the reaction conditions, these sandwich complexes can be transformed into the group 13/14 mixed cationic coordination polymer [{In(HMB)(μ‐SnCp2)}n][WCA]n. This polymeric chain motif was also successfully replicated by the synthesis of complexes [{Ga/In(HMB)(μ‐FeCp2)}n][WCA]n containing FeCp2 as a bridging ligand.
Synthesis‐Controlled Polymorphism and Optical Properties of Phyllosilicate‐Analogous Borosulfates M[B2(SO4)4] (M=Mg, Co)
Authors: Netzsch Philip , Pielnhofer Florian , Glaum Robert , Höppe Henning A.
Published: August 2020

Increased synthetic control in borosulfate chemistry leads to the access of various new compounds. Herein, the polymorphism of phyllosilicate‐analogous borosulfates is unraveled by adjusting the oleum (65 % SO3) content. The new polymorphs β‐Mg[B2(SO4)4] and α‐Co[B2(SO4)4] both consist of similar layers of alternating borate and sulfate tetrahedra, but differ in the position of octahedrally coordinated cations. The α‐modification comprises cations between the layers, whereas in the β‐modification cations are embedded within the layers. With this new synthetic approach, phase‐pure compounds of the respective polymorphs α‐Mg[B2(SO4)4] and β‐Co[B2(SO4)4] were also achieved. Tanabe–Sugano analysis of the Co2+ polymorphs reveal weak ligand field splitting and give insights into the coordination behavior of the two‐dimensional borosulfate anions for the first time. DFT calculations confirmed previous in silico experiments and enabled an assignment of the polymorphs by comparing the total electronic energies. The compounds are characterized by single‐crystal XRD, PXRD, FTIR, and UV/Vis/NIR spectroscopy, thermogravimetric analysis (TGA), and density functional theory (DFT) calculations.
NHCs as Neutral Donors towards Polyphosphorus Complexes
Authors: Riedlberger Felix , Todisco Stefano , Mastrorilli Piero , Timoshkin Alexey Y. , Seidl Michael , Scheer Manfred
Published: August 2020

The first adducts of NHCs (=N‐heterocyclic carbenes) with aromatic polyphosphorus complexes are reported. The reactions of [Cp*Fe(η5‐P5)] (1) (Cp*=pentamethyl‐cyclopentadienyl) with IMe (=1,3,4,5‐tetramethylimidazolin‐2‐ylidene), IMes (=1,3‐bis(2,4,6‐trimethylphenyl)‐imidazolin‐2‐ylidene) and IDipp (=1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐ylidene) led to the corresponding neutral adducts which can be isolated in the solid state. However, in solution, they quickly undergo a dissociative equilibrium between the adduct and 1 including the corresponding NHC. The equilibrium is influenced by the bulkiness of the NHC. [Cp′′Ta(CO)2(η4‐P4)] (Cp′′=1,3‐di‐tert‐butylcyclopentadienyl) reacts with IMe under P atom abstraction to give an unprecedented cyclo‐P3‐containing anionic tantalum complex. DFT calculations shed light onto the energetics of the reaction pathways.
Empirical and conditional likelihoods for two‐phase studies
Authors: Che Menglu , Lawless Jerald F. , Han Peisong
Published: August 2020

Two‐phase, response‐dependent sampling is often used in regression settings that involve expensive covariate measurements. Conditional maximum likelihood (CML) is an attractive approach in many cases as it avoids modelling of the covariate distribution, unlike full maximum likelihood. Scott & Wild (2011) introduced an augmented CML approach which is semi‐parametric efficient in certain settings with a discrete response variable. We consider general regression models and show the Scott–Wild estimator of covariate effects has the same asymptotic efficiency as two empirical likelihood estimators, and that these estimators dominate the CML estimator. We compare the efficiencies of various estimators in simulation studies and illustrate the methodology in a two‐phase genetics study.
Crystal Structures and Fluorescence Spectroscopic Properties of a Series of α,ω‐Di(4‐pyridyl)polyenes: Effect of Aggregation‐Induced Emission
Authors: Sonoda Yoriko , Tohnai Norimitsu , Shimoi Yukihiro
Published: August 2020

Crystal structures and fluorescence spectroscopic properties were investigated for a series of all‐(E) α,ω‐di(4‐pyridyl)polyenes (1–5) with different number of double bonds (n). Molecules 1 and 2 (n=1, 2) in crystals are arranged to form partially π‐overlapped structures, whereas those of 3–5 (n=3–5) are stacked in a herringbone fashion. All these molecules, the shorter polyenes in particular, are almost nonfluorescent in solution. In the solid state, 1 and 2 are highly emissive as pure organic solids [fluorescence quantum yields (φf)=0.3–0.5], while 3 and 4 are only weakly fluorescent (φf<0.05). The strongly n‐dependent fluorescence properties can be attributed to the largely different molecular arrangements in the crystals. Although 5 is nonfluorescent in the solid state, we observe a very clear structure‐property relationship in 1–4. Compounds 1 and 2 become much more emissive in the solid state than in solution as a result of the aggregation‐induced emission (AIE) effect.
Metal‐Organic Frameworks and Metal‐Organic Cages – A Perspective
Authors: Pilgrim Ben S. , Champness Neil R.
Published: August 2020

The fields of metal‐organic cages (MOCs) and metal‐organic frameworks (MOFs) are both highly topical and continue to develop at a rapid pace. Despite clear synergies between the two fields, overlap is rarely observed. This article discusses the peculiarities and similarities of MOCs and MOFs in terms of synthetic strategies and approaches to system characterisation. The stability of both classes of material is compared, particularly in relation to their applications in guest storage and catalysis. Lastly, suggestions are made for opportunities for each field to learn and develop in partnership with the other.
Metal Phthalocyanine−Fullerene Dyads: Promising Lamellar Columnar Donor−Acceptor Liquid Crystal Phases
Authors: Lehmann Matthias , Dechant Moritz , Weh Dominik , Freytag Emely
Published: August 2020

Liquid crystal (LC) shape‐amphiphiles with a disc tethered to a fullerene have been intensely studied for the application in photovoltaics, and helical nanosegregation of C60 has been claimed around the π‐stacking disks based on X‐ray results. The most promising materials reported to date have been resynthesized and studied comprehensively by XRS, density measurements, modelling, and electron density reconstruction. In contrast to previous reports, the results indicate that metal phthalocyanine−fullerene mesogens pack in lamellar columnar phases with p2gm symmetry. Fullerenes assemble in layers and are flanked by phthalocyanine columns, thus explaining the balanced charge carrier mobility of electrons and holes. Such variable donor−acceptor structures are promising for organic electronic applications.
Development and validation of a color spot test method for the presumptive detection of 25‐NBOMe compounds
Authors: Clancy Laura , Philp Morgan , Shimmon Ronald , Fu Shanlin
Published: August 2020

The great increase of new psychoactive substances over the past decade has substantially transformed the illicit drug industry to an ever‐changing dynamic market. 25‐NBOMe compounds are just one of these new substance groups that pose a public health risk in many countries around the world. These highly potent, hallucinogenic phenethylamines have previously been sold as “legal highs” or “synthetic LSD” and the necessity to rapidly identify their presence is crucial. While there are many laboratory‐based analytical methods capable of identifying these compounds, the lack of presumptive test methods indicates the need for a specific and timely test that could be used in the field. Herein we outline the developed chemical spot test that can selectively identify the presence of 25‐NBOMe compounds and related analogs through the reaction with a substituted benzoquinone reagent under basic conditions. This test method has been comprehensively validated showing a high level of selectivity, specificity, and precision with only two other illicit substances producing similar positive results as 25‐NBOMe and few false‐negative results seen. The working limit of detection was determined to be 225 μg and there was no cross‐reactivity from potential adulterants of significance. This test has also been shown to work directly with blotter papers containing 25‐NBOMe compounds, indicating no interference from this common matrix and the ability to differentiate these compounds from LSD. This method shows a high potential to be translated to a field compatible test that is simple, rapid, and selective for 25‐NBOMe compounds.
Native drivers of fish life history traits are lost during the invasion process
Authors: Gozlan Rodolphe Elie , Záhorská Eva , Cherif Emira , Asaeda Takashi , Britton John Robert , Chang Cha‐Ho , Hong To , Miranda Rafael , Musil Jiří , Povz Meta , Tarkan Ali Serhan , Tricarico Elena , Trichkova Teodora , Verreycken Hugo , Weiperth Andrej , Witkowski Andrej , Zamora Lluis , Zweimueller Irene , Zhao Yahui , Esmaeili Hamid Reza , Combe Marine
Published: August 2020

Rapid adaptation to global change can counter vulnerability of species to population declines and extinction. Theoretically, under such circumstances both genetic variation and phenotypic plasticity can maintain population fitness, but empirical support for this is currently limited. Here, we aim to characterize the role of environmental and genetic diversity, and their prior evolutionary history (via haplogroup profiles) in shaping patterns of life history traits during biological invasion. Data were derived from both genetic and life history traits including a morphological analysis of 29 native and invasive populations of topmouth gudgeonPseudorasbora parvacoupled with climatic variables from each location. General additive models were constructed to explain distribution of somatic growth rate (SGR) data across native and invasive ranges, with model selection performed using Akaike's information criteria. Genetic and environmental drivers that structured the life history of populations in their native range were less influential in their invasive populations. For some vertebrates at least, fitness‐related trait shifts do not seem to be dependent on the level of genetic diversity or haplogroup makeup of the initial introduced propagule, nor of the availability of local environmental conditions being similar to those experienced in their native range. As long as local conditions are not beyond the species physiological threshold, its local establishment and invasive potential are likely to be determined by local drivers, such as density‐dependent effects linked to resource availability or to local biotic resistance.
Bioelectricity generation and analysis of anode biofilm metabolites from septic tank wastewater in microbial fuel cells
Authors: Thulasinathan Boobalan , Ebenezer James Obeth , Bora Abhispa , Nagarajan Arumugam , Pugazhendhi Arivalagan , Jayabalan Tamilmani , Nainamohamed Samsudeen , Doble Mukesh , Alagarsamy Arun
Published: August 2020

The microbial fuel cell (MFC) has gained interest among the scientific community due to the feasibility of transforming organic wastes directly into electrical energy through biocatalysis or enzymatic bioelectrochemical reactions. In the present study, an effective coculture system, namely, Serratia marcescens AATB1 and Klebsiella pneumoniae AATB2, was used in the MFC system. The isolated strains, AATB1 and AATB2 were identified as biofilm producing bacteria. The experiments were performed in a two‐chambered MFC setup with septic tank wastewater as the substrate in a 5 days batch mode. Pure culture of S. marcescens AATB1 and K. pneumoniae AATB2, and their cocultures were able to produce energy with the maximum current densities of 728.85 ± 36 mA/m2, 642.19 ± 32 mA/m2 and 869.11 ± 43 mA/m2, respectively, and the maximum power densities of 341.65 ± 17 mW/m2, 257.51 ± 12 mW/m2 and 398.69 ± 19 mW/m2, respectively. During the process, cyclic voltammetry analysis has revealed the electrochemical behavior of the anodic biofilm. Approximately, 70.42% ± 3.52% of chemical oxygen demand removal was achieved during the process. Biofilm formation by the adhesion of microbes on the electrode surfaces was visualized by confocal laser scanning microscope and scanning electron microscope. All the three MFC systems were produced by biofilms containing extracellular polymeric substance from S. marcescens AATB1 (55 ± 2.75 μg/cm2 of protein, 61 ± 3.05 μg/cm2 of carbohydrate) and K. pneumoniae AATB2 (46 ± 2.30 μg/cm2 of protein, 53 ± 2.65 μg/cm2 of carbohydrate) and coculture (60 ± 3.00 μg/cm2 of protein, 69 ± 3.45 μg/cm2 of carbohydrate). Furthermore, the anode biofilm metabolites were identified by Gas Chromatography–Mass Spectrometry (GC‐MS) and Nuclear Magnetic Resonance NMR spectroscopy.
Characteristics and vertical zonation of large‐scale granitic reservoirs, a case study from Penglai oil field in the Bohai Bay Basin, North China
Authors: Ye Tao , Chen Anqing , Niu Chengmin , Wang Qingbin , Guo Longlong
Published: August 2020

Primary pores are undeveloped in the granite, but multiple types of reservoir spaces can form during the processes of weathering and tectonic movement. Taking Penglai (PL) oil field as an example, the vertical zonal characteristic of the buried granite is defined and the relationship between different zones and reservoir is discussed. The granite can be divided into weathered zone (WZ) and bedrock zone (BZ) vertically according to weathered or not, and the WZ can be divided into weathered clay zone (WCZ), weathered glutenite zone (WGZ), and weathered fracture zone (WFZ) further. The lithology, mineral composition, and weathering indices (geochemistry) can distinguish different zones. Both WZ and BZ can form good reservoirs, among them the reservoir of WGZ is dominated by pores, while that of WFZ and the BZ are mainly composed of fractures, and they constitute the high‐quality reservoir together. There is an obvious positive correlation between the thickness of fracture zone in BZ and the thickness of WZ, and both WZ and BZ are influenced by tectonic movement. Moreover, WZ superimposed with meteoric water dissolution makes it the best reservoir in the granitic buried hill, and the development of fractures in BZ extends the thickness of reservoir greatly.
What is it going to be, TTO or SG? A direct test of the validity of health state valuation
Authors: Lipman Stefan A. , Brouwer Werner B. F. , Attema Arthur E.
Published: August 2020

Standard gamble (SG) typically yields higher health state valuations than time trade‐off (TTO), which may be caused by biases affecting both methods. It has been suggested that TTO yields more accurate health state valuations, because TTO is subject to both upward and downward biases that may cancel out. Verifying this claim, however, would require a golden standard to test validity against. In this study, we attempted to provide a first direct test of the validity of health state valuation. A total of 119 students completed five TTO and SG tasks. Afterwards, their health state valuations elicited with TTO and SG were shown to them in an interactive graph. Respondents were asked to indicate which of the methods represented their valuation of a health state best. They could also adjust their valuation. Overall, we found that respondents indicated that TTO valuations better reflected health state valuations, a result that was more pronounced for more severe health states. When offered the opportunity, on average, respondents adjusted health state valuations downwards. These findings may have implications for future work on (bias correction in) health state valuations.
Dynamic relation between macroeconomic variable, stock market returns and stock market development in Ghana
Authors: Asravor Richard Kofi , Fonu Prince Dieu‐Donne
Published: August 2020

In recent times, the collapse of more than seven banks in Ghana and the raising of the minimum capital by the Central Bank of Ghana, have led to the argument that the stock market is the next best capital market for raising long terms funds. This study employs the ARDL cointegration approach to examine the long and short‐term relationship between macroeconomic variables and stock market returns and development in Ghana. We found out that cointegration exist between the macroeconomic variables and stock market return and stock market development. The study revealed that log of the money supply, inflation rate and human capital has a negative impact on the stock market development whereas the log of foreign direct investment and interest rate has a positive impact on stock market development.