bluuebunny/crossref_metadata_2025_split huggingface dataset:
Principles Governing Control of Aggregation and Dispersion of Graphene and Graphene Oxide in Polymer Melts
Authors: Suter James L. , Sinclair Robert C. , Coveney Peter V. 
Published: July 2020

AbstractControlling the structure of graphene and graphene oxide (GO) phases is vitally important for any of its widespread intended applications: highly ordered arrangements of nanoparticles are needed for thin‐film or membrane applications of GO, dispersed nanoparticles for composite materials, and 3D porous arrangements for hydrogels. By combining coarse‐grained molecular dynamics and newly developed accurate models of GO, the driving forces that lead to the various morphologies are resolved. Two hydrophilic polymers, poly(ethylene glycol) (PEG) and poly(vinyl alcohol) (PVA), are used to illustrate the thermodynamically stable morphologies of GO and relevant dispersion mechanisms. GO self‐assembly can be controlled by changing the degree of oxidation, varying from fully aggregated over graphitic domains to intercalated assemblies with polymer bilayers between sheets. The long‐term stability of a dispersion is extremely important for many commercial applications of GO composites. For any degree of oxidation, GO does not disperse in PVA as a thermodynamic equilibrium product, whereas in PEG dispersions are only thermodynamically stable for highly oxidized GO. These findings—validated against the extensive literature on GO systems in organic solvents—furnish quantitative explanations for the empirically unpredictable aggregation characteristics of GO and provide computational methods to design directed synthesis routes for diverse self‐assemblies and applications.
Photoactivation Strategies for Therapeutic Release in Nanodelivery Systems
Authors: Choi Seok Ki 
Published: July 2020

AbstractControl of therapeutic release constitutes one of most critical aspects considered in the design of nanoscale delivery systems. There are a variety of cellular factors and external stimuli employed for release control. Of these, use of light offers various photoactivation mechanisms that enable to effectively engage in therapeutic release. It also allows a higher degree of spatial and temporal control. Over recent decades, the application of photoactivation strategies has seen remarkable growth and made a significant impact on rapid advances in the field of drug delivery. This Review aims to summarize the fundamental concepts and practical applications demonstrated recently in numerous therapeutic areas from cancers to infectious diseases. Its scope is defined by a focus on those photoactivation strategies that occur via either linker cleavage, nanocontainer gating, or disassembly. Each of these is discussed with specific examples and underlying mechanisms that comprise linker photolysis, photoisomerization, photothermal heating, or photodynamic reactions with reactive oxygen species. In summary, this Review provides an inclusive summary of new developments and insights obtained from recent progress in photoactivation strategies and their applications in therapeutic nanodelivery.
Stamping Fabrication of Flexible Planar Micro‐Supercapacitors Using Porous Graphene Inks
Authors: Li Fei , Qu Jiang , Li Yang , Wang Jinhui , Zhu Minshen , Liu Lixiang , Ge Jin , Duan Shengkai , Li Tianming , Bandari Vineeth Kumar , Huang Ming , Zhu Feng , Schmidt Oliver G. 
Published: July 2020

AbstractHigh performance, flexibility, safety, and robust integration for micro‐supercapacitors (MSCs) are of immense interest for the urgent demand for miniaturized, smart energy‐storage devices. However, repetitive photolithography processes in the fabrication of on‐chip electronic components including various photoresists, masks, and toxic etchants are often not well‐suited for industrial production. Here, a cost‐effective stamping strategy is developed for scalable and rapid preparation of graphene‐based planar MSCs. Combining stamps with desired shapes and highly conductive graphene inks, flexible MSCs with controlled structures are prepared on arbitrary substrates without any metal current collectors, additives, and polymer binders. The interdigitated MSC exhibits high areal capacitance up to 21.7 mF cm−2 at a current of 0.5 mA and a high power density of 6 mW cm−2 at an energy density of 5 µWh cm−2. Moreover, the MSCs show outstanding cycling performance and remarkable flexibility over 10 000 charge–discharge cycles and 300 bending cycles. In addition, the capacitance and output voltage of the MSCs are easily adjustable through interconnection with well‐defined arrangements. The efficient, rapid manufacturing of the graphene‐based interdigital MSCs with outstanding flexibility, shape diversity, and high areal capacitance shows great potential in wearable and portable electronics.
Produced water's impact on soil properties: Remediation challenges and opportunities
Authors: Green A. , DeSutter T.M. , Meehan M.A. , Daigh A.L.M. , O'Brien P.L. 
Published: July 2020

AbstractThe choice of remediation of oil‐produced water (aka brine) spills depends on the severity of contamination, environmental factors, cost‐effectiveness, and relative efficiency of salt removal. The objective of this review is to summarize the current practices that are used to remediate brine spills or abandoned evaporation pits within the Bakken and Three Forks regions of the Williston Basin within the upper Great Plains. The most common current methods are “dig and haul” and the use of chemical amendments such as gypsum (CaSO4) or organic amendments (manure, straw, etc.) to promote soil flocculation and the downward leaching of salts out of the topsoil. These methods, however, can fail to achieve sustained remediation success in a cost‐effective and timely manner, making continued research into alternative methods necessary. The use of electrokinetics, crystallization inhibitors, wicking materials, and plant‐growth promoting rhizobacteria hold promise for in‐situ cleanup of contaminated sites.
Dry matter and nutrient partitioning changes for the past 30 years of cotton production
Authors: Pabuayon Irish Lorraine B. , Lewis Katie L. , Ritchie Glen L. 
Published: July 2020

AbstractModern cotton (Gossypium hirsutumL.) cultivars are more productive and have unique growth and fruiting characteristics due to optimization of genetics and management practices in the past 30 yr. The most recent work evaluating nutrient uptake and partitioning by cotton was conducted in the early 1990s, necessitating a re‐evaluation of nutrient accumulation and requirements in modern high productivity cultivars. Modern cultivar (FiberMax [FM] 958 and Deltapine [DP] 1646) resource allocation, including dry matter production, yields, and accumulation and partitioning of N, P, K, Ca, Mg, and S to different organs, was compared with that of a 1990s cultivar (Paymaster [PM] HS26) in 2018 and 2019. The modern cultivars tested in this study partitioned a greater percentage of dry matter, N, P, K, and S into the fruit than the older cultivar, highlighting the importance of partitioning for increased production potential of these cultivars from the 1990s to the 2010s. Greater efficiencies in partitioning and remobilization of N, P, K, and S resulted in 66, 88, 64, and 30% increase in the amount of lint yield produced for every unit of uptake, respectively, under favorable growing conditions. These findings suggest that existing fertility paradigm in cotton may underestimate the accumulation expectations during the middle and latter part of the growing season. These results can be a basis for optimizing nutrient application to address partitioning changes. Adjusting nutrient recommendations to the shift in cultivar growth characteristics may improve both yield and application efficiency of fertilizers.
Tumor‐Triggered Disassembly of a Multiple‐Agent‐Therapy Probe for Efficient Cellular Internalization
Authors: Yang Juliang , Dai Jun , Wang Quan , Cheng Yong , Guo Jingjing , Zhao Zujin , Hong Yuning , Lou Xiaoding , Xia Fan 
Published: July 2020

AbstractIntegration of multiple agent therapy (MAT) into one probe is promising for improving therapeutic efficiency for cancer treatment. However, MAT probe, if entering the cell as a whole, may not be optimal for each therapeutic agent (with different physicochemical properties), to achieve their best performance, hindering strategy optimization. A peptide‐conjugated‐AIEgen (FC‐PyTPA) is presented: upon loading with siRNA, it self‐assembles into FCsiRNA‐PyTPA. When approaching the region near tumor cells, FCsiRNA‐PyTPA responds to extracellular MMP‐2 and is cleaved into FCsiRNA and PyTPA. The former enters cells mainly by macropinocytosis and the latter is internalized into cells mainly through caveolae‐mediated endocytosis. This two‐part strategy greatly improves the internalization efficiency of each individual therapeutic agent. Inside the cell, self‐assembly of nanofiber precursor F, gene interference of CsiRNA, and ROS production of PyTPA are activated to inhibit tumor growth.
Iodane‐Guided ortho C−H Allylation
Authors: Chen Wei W. , Cunillera Anton , Chen Dandan , Lethu Sébastien , López de Moragas Albert , Zhu Jun , Solà Miquel , Cuenca Ana B. , Shafir Alexandr 
Published: July 2020

AbstractA metal‐free C−H allylation strategy is described to access diverse functionalized ortho‐allyl‐iodoarenes. The method employs hypervalent (diacetoxy)iodoarenes and proceeds through the iodane‐guided “iodonio‐Claisen” allyl transfer. The use of allylsilanes bearing electron‐withdrawing functional groups unlocks the functionalization of a broad range of substrates, including electron‐neutral and electron‐poor rings. The resulting ortho‐allylated iodoarenes are versatile building blocks, with examples of downstream transformation including a concise synthesis of the experimental antimitotic core of Dosabulin. DFT calculations shed additional light on the reaction mechanism, with notable aspects including the aromatic character of the transition‐state structure for the [3,3] sigmatropic rearrangement, as well as the highly stereoconvergent nature of the trans‐product formation.
Optical Control of a CRISPR/Cas9 System for Gene Editing by Using Photolabile crRNA
Authors: Zhang Yu , Ling Xinyu , Su Xiaoxuan , Zhang Shilin , Wang Jing , Zhang Pingjing , Feng Wenjian , Zhu York Yuanyuan , Liu Tao , Tang Xinjing 
Published: July 2020

AbstractCurrently CRISPR/Cas9 is a widely used efficient tool for gene editing. Precise control over the CRISPR/Cas9 system with high temporal and spatial resolution is essential for studying gene regulation and editing. Here, we synthesized a novel light‐controlled crRNA by coupling vitamin E and a photolabile linker at the 5′ terminus to inactivate the CRISPR/Cas9 system. The vitamin E modification did not affect ribonucleoprotein (RNP) formation of Cas9/crRNA/tracrRNA complexes but did inhibit the association of RNP with the target DNA. Upon light irradiation, vitamin E‐caged crRNA was successfully activated to achieve light‐induced genome editing of vascular endothelial cell‐growth factor A (VEGFA) in human cells through a T7E1 assay and Sanger sequencing as well as gene knockdown of EGFP expression in EGFP stably expressing cells. This new caging strategy for crRNA could provide new methods for spatiotemporal photoregulation of CRISPR/Cas9‐mediated gene editing.
Highly Cooperative Photoswitching in Dihydropyrene Dimers
Authors: Liesfeld Pauline , Garmshausen Yves , Budzak Simon , Becker Jonas , Dallmann André , Jacquemin Denis , Hecht Stefan 
Published: July 2020

AbstractWe present a strategy to achieve highly cooperative photoswitching, where the initial switching event greatly facilitates subsequent switching of the neighboring unit. By linking donor/acceptor substituted dihydropyrenes via suitable π‐conjugated bridges, the quantum yield of the second photochemical ring‐opening process could be enhanced by more than two orders of magnitude as compared to the first ring‐opening. As a result, the intermediate mixed switching state is not detected during photoisomerization although it is formed during the thermal back reaction. Comparing the switching behavior of various dimers, both experimentally and computationally, helped to unravel the crucial role of the bridging moiety connecting both photochromic units. The presented dihydropyrene dimer serves as model system for longer cooperative switching chains, which, in principle, should enable efficient and directional transfer of information along a molecularly defined path. Moreover, our concept allows to enhance the photosensitivity in oligomeric and polymeric systems and materials thereof.
Synthetic Tailoring of Graphene Nanostructures with Zigzag‐Edged Topologies: Progress and Perspectives
Authors: Liu Junzhi , Feng Xinliang 
Published: July 2020

AbstractExperimental and theoretical investigations have revealed that the chemical and physical properties of graphene are crucially determined by their topological structures. Therefore, the atomically precise synthesis of graphene nanostructures is essential. A particular example is graphene nanostructures with zigzag‐edged structures, which exhibit unique (opto)electronic and magnetic properties owing to their spin‐polarized edge state. Recent progress in the development of synthetic methods and strategies as well as characterization methods has given access to this class of unprecedented graphene nanostructures, which used to be purely molecular objectives in theoretical chemistry. Thus, clear insight into the structure–property relationships has become possible as well as new applications in organic carbon‐based electronic and spintronic devices. In this Minireview, we discuss the recent progress in the controlled synthesis of zigzag‐edged graphene nanostructures with different topologies through a bottom‐up synthetic strategy.
A new protocol for assessing the conservation priority of groundwater‐dependent ecosystems
Authors: Fattorini Simone , Fiasca Barbara , Di Lorenzo Tiziana , Di Cicco Mattia , Galassi Diana M. P. 
Published: July 2020

AbstractSpecies of conservation concern are usually considered important elements in site prioritization for biodiversity conservation. To overcome the lack of information on species conservation status, multidimensional measures of species rarity can be used as proxies of species vulnerability.Under this assumption, a two‐step protocol for site prioritization of aquatic groundwater‐dependent ecosystems is proposed using invertebrate vulnerability estimated from species' traits. In the first step, each species occurring in the sites of interest are scored according to their vulnerability. In the second step, sites are prioritized using species' scores.Species vulnerability scores are based on five dimensions, for which various traits are scored: (i) geography, (ii) ecology, (iii) biology, (iv) population, and (v) evolutionary history. For each species, the scores of the various traits belonging to the same dimension are multiplied to obtain a synthetic score. These scores are then ranked into four classes and, for each dimension, each species receives a new score that reflects its rank. The sum of these scores represents the species' overall score.Site conservation priorities are assessed by combining species scores into three indices: Sum of Species Scores, Biodiversity Conservation Concern (which relates the sum of species scores with the local species richness) and Groundwater Biodiversity Concern (which is the average of the former two). The protocol is illustrated using case studies in Italy and it is fully implemented in the software AQUALIFE which is freely available at:http://app.aqualifeproject.euby registered users.Sensitivity analyses showed that the protocol is robust against the lack of information on species biology or sampling limitations. However, trait scoring rests with the user, who must be familiar with the study group.This approach can be applied at any spatial scale and to different types of aquatic groundwater‐dependent ecosystems.
Phenoxazine‐based Near‐infrared Fluorescent Probes for the Specific Detection of Copper (II) Ions in Living Cells
Authors: Shen Yang , Zheng Wubin , Yao Yusi , Wang Dongmei , Lv Guanglei , Li Chunxia 
Published: July 2020

AbstractAbstract: It is well known that copper ions play a critical role in various physiological processes. However, a variety of human diseases are tightly correlated with copper overload. Although there are numerous fluorescent probes capable of detecting copper ions, most of them are “turn‐off” probes owing to copper (II) ions fluorescence quenching effect, resulting in poor sensitivity. Herein, a novel “turn‐on” near‐infrared (NIR) fluorescent probe PZ‐N based on phenoxazine was designed and synthesized for the selective detection of copper (II) ions (Cu2+). Upon the addition of Cu2+, the probe could quickly react with Cu2+ and emit strong fluorescence, along with colour change from colourless to obvious blue. Moreover, the probe PZ‐N showed good water solubility, high selectivity, and excellent sensitivity with low limit of detection (1.93 nM) towards copper (II) ions. More importantly, PZ‐N was capable of effectively detecting Cu2+ in living cells.
Renal adverse effects following the use of different immune checkpoint inhibitor regimens: A real‐world pharmacoepidemiology study of post‐marketing surveillance data
Authors: Chen Gang , Qin Yan , Fan Qian‐qian , Zhao Bin , Mei Dan , Li Xue‐mei 
Published: July 2020

AbstractBackgroundsAlthough kidney impairments have been reported following immune checkpoint inhibitors (ICIs) in clinical studies, there are few pharmacoepidemiology studies to compare the occurrences, clinical features, and prognosis of renal adverse effects.MethodsDisproportionality and Bayesian analysis were used in data mining to screen the suspected renal adverse effects after the administration of different ICIs, based on FDA's Adverse Event Reporting System (FAERS) from January 2004 to September 2019. The time to onset, fatality and hospitalization rates of renal adverse effects were also investigated.ResultsWe identified 1444 reports of renal adverse effects. Affected patients tended to be older than 65 years (52.7%). Renal effects were most commonly reported in nivolumab monotherapy (33.24%). Atezolizumab appeared the strongest association among six ICI monotherapies, based on the highest reporting odds ratio (ROR = 144.38, two‐sided 95% CI = 123.08 −169.37), proportional reporting ratio (PRR = 139.13, χ2 = 21 425.38), and empirical Bayes geometric mean (EBGM = 131.75, one‐sided 95% CI = 115.28). The combination treatments showed higher RORs, PRRs, and EBGMs, compared with either nivolumab or pembrolizumab monotherapy. The median onset time of renal adverse effects was 48 (interquartile range [IQR] 18.75‐121.25) days after the monotherapies of ICI regimens. Patients treated with the combination of nivolumab plus ipilimumab were younger than receivers in nivolumab monotherapy (63.81 ± 12.03 vs 66.39 ± 11.53, P = .004); The fatality rate of renal adverse effects appeared lower in the combination group, compared to nivolumab monotherapy (18.53% vs 27.50%, P = .004). The top hospitalization rates due to renal effects occurred in patients with combination therapies.ConclusionBased on the FAERS database, we profiled renal adverse effects after various ICIs with real‐world data in occurrences, clinical characteristics, and prognosis. Renal effects should be tightly monitored, especially within the first several months after ICIs administration. Particular concern should be paid for patients with a tendency for kidney impairments, such as old age.
Bingel–Hirsch Addition of Diethyl Bromomalonate to Ion‐Encapsulated Fullerenes M@C60 (M=Ø, Li+, Na+, K+, Mg2+, Ca2+, and Cl−)
Authors: Besalú‐Sala Pau , Luis Josep M. , Solà Miquel 
Published: July 2020

AbstractIn the last 30 years, fullerene‐based materials have become popular building blocks for devices with a broad range of applications. Among fullerene derivatives, endohedral metallofullerenes (EMFs, M@Cx) have been widely studied owing to their unique properties and reactivity. For real applications, fullerenes and EMFs must be exohedrally functionalized. It has been shown that encapsulated metal cations facilitate the Diels–Alder reaction in fullerenes. Herein, the Bingel–Hirsch (BH) addition of ethyl bromomalonate over a series of ion‐encapsulated M@C60 (M=Ø, Li+, Na+, K+, Mg2+, Ca2+, and Cl−; Ø@C60 stands for C60 without any endohedral metal) is quantum mechanically explored to analyze the effect of these ions on the BH addition. The results show that the incarcerated ion has a very important effect on the kinetics and thermodynamics of this reaction. Among the systems studied, K+@C60 is the one that leads to the fastest BH reaction, whereas the slowest reaction is given by Cl−@C60.
Regression modelling with the tilted beta distribution: A Bayesian approach
Authors: Hahn Eugene D. 
Published: July 2020

AbstractBeta regression models are commonly used in the case of a dependent variable y that exists on the range (0,1). However, when y can additionally take on the values of zero and/or one, limitations of the beta distribution and beta regression models become apparent. One recent approach is to use an inflated beta regression model which has discrete point‐valued components. In this article, we introduce a new class of regression models for y ∈ [0,1] that is fully continuous. This allows the entirety of y to be treated as a continuum instead of discontinuously, which appears to be a new development for the literature. We use a Bayesian approach for estimation. We also illustrate the impact of different choices of prior distributions on empirical findings and perform a simulation study examining model fit.
Charge‐Transfer Kinetics of the Solid–Electrolyte Interphase on Li4Ti5O12 Thin‐Film Electrodes
Authors: Nasara Ralph N. , Ma Wen , Kondo Yasuyuki , Miyazaki Kohei , Miyahara Yuto , Fukutsuka Tomokazu , Lin Che‐an , Lin Shih‐kang , Abe Takeshi 
Published: July 2020

AbstractInvited for this month′s cover are the groups of Shih‐kang Lin at the National Cheng Kung University and Takeshi Abe at Kyoto University. The image shows how interfacial chemistry design can play a role in unlocking higher‐energy‐density and fast‐charging Li4Ti5O12‐based lithium‐ion batteries for electric vehicle applications. The Full Paper itself is available at 10.1002/cssc.202001086.