bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Density Lignin‐Derived Carbon Nanofiber Supercapacitors with Enhanced Volumetric Energy Density
Authors: Hérou Servann , Bailey Josh J , Kok Matt , Schlee Philipp , Jervis Rhodri , Brett Dan J. L. , Shearing Paul R. , Ribadeneyra Maria Crespo , Titirici Magdalena 
Published: May 2021

AbstractSupercapacitors are increasingly used in short‐distance electric transportation due to their long lifetime (≈15 years) and fast charging capability (>10 A g−1). To improve their market penetration, while minimizing onboard weight and maximizing space‐efficiency, materials costs must be reduced (<10 $ kg−1) and the volumetric energy‐density increased (>8 Wh L−1). Carbon nanofibers display good gravimetric capacitance, yet their marketability is hindered by their low density (0.05–0.1 g cm−3). Here, the authors increase the packing density of low‐cost, free‐standing carbon nanofiber mats (from 0.1 to 0.6 g cm−3) through uniaxial compression. X‐ray computed tomography reveals that densification occurs by reducing the inter‐fiber pore size (from 1–5 µm to 0.2–0.5 µm), which are not involved in double‐layer capacitance. The improved packing density is directly proportional to the volumetric performances of the device, which reaches a volumetric capacitance of 130 F cm−3 and energy density of 6 Wh L−1 at 0.1 A g−1 using a loading of 3 mg cm−2. The results outperform most commercial and lab‐scale porous carbons synthesized from bioresources (50–100 F cm−3, 1–3 Wh L−1 using 10 mg cm−2) and contribute to the scalable design of sustainable electrodes with minimal ‘dead volume’ for efficient supercapacitors.
Repression of Interlayer Recombination by Graphene Generates a Sensitive Nanostructured 2D vdW Heterostructure Based Photodetector
Authors: Wang Huide , Gao Shan , Zhang Feng , Meng Fanxu , Guo Zhinan , Cao Rui , Zeng Yonghong , Zhao Jinlai , Chen Si , Hu Haiguo , Zeng Yu‐Jia , Kim Sung Jin , Fan Dianyuan , Zhang Han , Prasad Paras N. 
Published: May 2021

AbstractGreat success in 2D van der Waals (vdW) heterostructures based photodetectors is obtained owing to the unique electronic and optoelectronic properties of 2D materials. Performance of photodetectors based 2D vdW heterojunctions at atomic scale is more sensitive to the nanointerface of the heterojunction than conventional bulk heterojunction. Here, a nanoengineered heterostructure for the first‐time demonstration of a nanointerface using an inserted graphene layer between black phosphorus (BP) and InSe which inhibits interlayer recombination and greatly improves photodetection performances is presented. In addition, a transition of the transport characteristics of the device is induced by graphene, from diffusion motion of minority carriers to drift motion of majority carriers. These two reasons together with an internal photoemission effect make the BP/G/InSe‐based photodetector have ultrahigh specific detectivity at room temperature. The results demonstrate that high‐performance vdW heterostructure photodetectors can be achieved through simple structural manipulation of the heterojunction interface on nanoscale.
Neurocutaneous syndromes in art and antiquities
Authors: Ruggieri Martino , Gentile Amalia Egle , Ferrara Vincenza , Papi Massimo , Praticò Andrea D. , Mudry Albert , Taruscio Domenica , Micali Giuseppe , Polizzi Agata 
Published: May 2021

AbstractNeurocutaneous syndromes are a group of genetic disorders affecting the skin, the central and peripheral nervous system, and the eye with congenital abnormalities and/or tumors. Manifestations may also involve the heart, vessels, lungs, kidneys, endocrine glands and bones. When people with these disorders are portrayed in works of art, physicians have speculated on possible diagnoses. In particular, many figures have been labeled as possibly having a neurocutaneous disorder, sometimes distorting the popular conception of these diseases. We review numerous documents, drawings, prints, lithographs, xylographs, and portraits which span the ages from antiquity to the era of the pioneers behind the eponyms, depicting a large spectrum of neurocutaneous disorders.
Selective N‐Arylation of p‐Aminophenylalanine in Unprotected Peptides with Organometallic Palladium Reagents
Authors: Mallek Aaron J. , Pentelute Bradley L. , Buchwald Stephen L. 
Published: May 2021

AbstractThe selective N‐arylation of p‐aminophenylalanine in polypeptides with pre‐formed palladium oxidative addition complexes is described. The depressed pKa of the aniline NH2 group enables chemoselective C−N bond formation on peptides containing multiple other aliphatic amino groups at lysines or the N‐terminus via Curtin–Hammett control under mild conditions. Using palladium complexes derived from electron‐poor aryl halides, p‐aminophenylalanine is fully arylated in aqueous buffer in as little as one hour at micromolar concentrations. A complementary protocol using the non‐nucleophilic, organic base 1,5‐diazabicyclo(4.3.0)non‐5‐ene (DBN), expands the substrate scope to tolerate electron‐rich functional groups provides up to 97 % conversion. These procedures enable the chemoselective conjugation of functionally diverse small molecule pharmaceuticals to p‐aminophenylalanine containing derivatives of cell‐penetrating peptides.
Marquesan ceramics, palaeotsunami, and megalithic architecture: Ho‘oumi Beach site (NHo‐3) in regional perspective
Authors: ALLEN MELINDA S. , McALISTER ANDREW , PETCHEY FIONA , HUEBERT JENNIFER M. , MAEVA MA’ARA , JONES BENJAMIN D. 
Published: May 2021

ABSTRACTThe iconic Ho‘oumi Beach site (NHo‐3), Nuku Hiva Island (Marquesas), was excavated by Robert Suggs in the late 1950s. It figured importantly in his island‐wide reconstruction of settlement patterns, socio‐political organisation, material culture and subsistence change – a cultural historical framework that has guided Marquesan archaeology for six decades. Ho‘oumi is also one of four Marquesan localities where prehistoric ceramics have been found. We revisited Ho‘oumi to acquire chronological and palaeoenvironmental context for two cultural occupations reported by Suggs. Eight 14C determinations on short‐lived materials and new marine reservoir corrections are reported, and the overall series evaluated using Bayesian modelling. A single ceramic sherd, previously assigned to a Fijian source, is attributed to the thirteenth to fourteenth centuries AD – a period when Marquesans engaged in long‐distance voyaging. A significant marine inundation disrupted the associated occupation, leading to sustained coastal abandonment. Stratigraphic and historical evidence suggests this was a palaeotsunami, which may also be represented at Hane (Ua Huka Island). House pavements of the early occupation were replaced by raised megalithic house foundations, probably around the late seventeenth to mid‐eighteenth centuries AD, but material culture changes were modest. By late prehistory, mature native forest was largely replaced by secondary species and Polynesian introductions.
Enantioselective Synthesis of Quaternary Carbon Stereocenters by Asymmetric Allylic Alkylation: A Review
Authors: Wu Gengxin , Wu Jia‐Rui , Huang Yan , Yang Ying‐Wei 
Published: May 2021

AbstractQuaternary stereocenters are of great importance to the three‐dimensionality and enhanced properties of new molecules, but the synthetic challenges in creating quaternary stereocenters greatly hinder their wide use in drug discovery, organic material design, and natural product synthesis. The asymmetric allylic alkylation (AAA) of allylic substrates has proven to be a powerful methodology for enantioselective formation of structure skeletons bearing single or more quaternary carbon centers in modern asymmetric organocatalysis. AAA has certain advantages in constructing the tetrasubstituted stereocenters, including but not limited to mild reactive conditions, effective reaction rates, new functional group introduction, and carbon chains length extension. This review outlines the key considerations in the application of AAA reactions and summarizes the recent progress of AAA reactions in the enantioselective synthesis of products containing quaternary stereocenters. Meanwhile, a detailed discussion of the AAA reactions such as ligands, scope of substrates, transformations and the general reaction mechanisms is also provided. We hope this review could stimulate further advances in much broader areas, including organic synthesis, asymmetric catalysis, C−H activation, and symmetrical pharmaceutical chemistry.
Microwave‐assisted combustion synthesis and luminescence properties of colour‐tunable Eu3+/Tb3+ co‐doped BaLaB9O16
Authors: Palan Chetan B. , Bajaj Nikhilesh S. , Bhagat Suresh P. , Omanwar Shrinivas K. 
Published: May 2021

AbstractIn the present study, hexagonal structured borate phosphors BaLaB9O16 were prepared using a combustion method with colour‐tunable emission properties achieved by varying the doping concentration of Eu3+ and Tb3+ in the cluster. The as‐prepared materials were analyzed for structural and morphological parameters through X‐ray diffraction (XRD) and field emission scanning electron microscopy (FE‐SEM) studies. Tuning of colour was predicted through the photoluminescence and photoluminescence excitation spectra of the materials that showed good green and red emissions when doped with Tb3+ and Eu3+, respectively, whereas the emission of the co‐doped sample (Eu3+ and Tb3+) can be varied from the green region to red region by varying the excitation range from 207 to 254  nm.
Relevance of π‐Backbonding for the Reactivity of Electrophilic Anions [B12X11]− (X=F, Cl, Br, I, CN)
Authors: Mayer Martin , Rohdenburg Markus , Kawa Sebastian , Horn Francine , Knorke Harald , Jenne Carsten , Tonner Ralf , Asmis Knut R. , Warneke Jonas 
Published: May 2021

AbstractElectrophilic anions of type [B12X11]− posses a vacant positive boron binding site within the anion. In a comparatitve experimental and theoretical study, the reactivity of [B12X11]− with X=F, Cl, Br, I, CN is characterized towards different nucleophiles: (i) noble gases (NGs) as σ‐donors and (ii) CO/N2 as σ‐donor‐π‐acceptors. Temperature‐dependent formation of [B12X11NG]− indicates the enthalpy order (X=CN)>(X=Cl)≈(X=Br)>(X=I)≈(X=F) almost independent of the NG in good agreement with calculated trends. The observed order is explained by an interplay of the electron deficiency of the vacant boron site in [B12X11]− and steric effects. The binding of CO and N2 to [B12X11]− is significantly stronger. The B3LYP 0 K attachment enthapies follow the order (X=F)>(X=CN)>(X=Cl)>(X=Br)>(X=I), in contrast to the NG series. The bonding motifs of [B12X11CO]− and [B12X11N2]− were characterized using cryogenic ion trap vibrational spectroscopy by focusing on the CO and N2 stretching frequencies
and
, respectively. Observed shifts of
and
are explained by an interplay between electrostatic effects (blue shift), due to the positive partial charge, and by π‐backdonation (red shift). Energy decomposition analysis and analysis of natural orbitals for chemical valence support all conclusions based on the experimental results. This establishes a rational understanding of [B12X11]− reactivety dependent on the substituent X and provides first systematic data on π‐backdonation from delocalized σ‐electron systems of closo‐borate anions.
A Disulfide Switch Providing Absolute Handedness Control in Double Helices via Conversion from the Antiparallel to Parallel Helical Pattern
Authors: Li Dongyao , Ma Chunmiao , Xiang Junfeng , Zhang Kai , Yang Ling , Gan Quan 
Published: May 2021

AbstractA strategy to reversibly switch the parallel/antiparallel helical conformation of aromatic double helices through the formation/breakage of a disulfide bond is presented. Single‐crystal X‐ray structures, NMR, and circular dichroism spectroscopy demonstrate that the double helices with terminal thiol groups favor an antiparallel helical arrangement both in the solid state and in solution, while the P/M bias of helicity induced by chiral segments from another extremity of the sequence is weak in this structural motif. The antiparallel helices can be rearranged to parallel helices through the disulfide connection of the sequences. This change enhances the bias of helical handedness and results in absolute chirality control of the double helices. The handedness‐mediated process can be governed by the oxidation‐reduction cycle, thereby switching the structural arrangement and the enhancement of chiral bias. In addition, we find that the sequences can dimerize into an intermolecular double helix with the disulfide connection. And the helical handedness is also fully controlled due to the head‐to‐head structural motif.
Dual Plasmonic Au−Cu2−xS Nanocomposites: Design Strategies and Photothermal Properties
Authors: Hans Earl Adrian D. R. , Regulacio Michelle D. 
Published: May 2021

AbstractCoupling two different materials to create a hybrid nanostructured system is a powerful strategy for achieving synergistically enhanced properties and advanced functionalities. In the case of Au and Cu2−xS, their combination on the nanoscale results in dual plasmonic Au−Cu2−xS nanocomposites that exhibit intense photon absorption in both the visible and the near‐infrared spectral ranges. Their strong light‐absorbing properties translate to superior photothermal transduction efficiency, making them attractive in photothermal‐based applications. There are several nanostructure configurations that are possible for the Au−Cu2−xS system, and the successful fabrication of a particular architecture often requires a carefully planned synthetic strategy. In this Minireview, the different synthetic approaches that can be employed to produce rationally designed Au−Cu2−xS nanocomposites are presented, with a focus on the experimental protocols that can lead to heterodimer, core–shell, reverse core–shell, and yolk–shell configurations. The photothermal behavior of these materials is also discussed, providing a glimpse of their potential use as photothermally active agents in therapeutic and theranostic applications.
Highly Active Halogen Bonding and Chalcogen Bonding Chloride Transporters with Non‐Protonophoric Activity
Authors: Bickerton Laura E. , Docker Andrew , Sterling Alistair J. , Kuhn Heike , Duarte Fernanda , Beer Paul D. , Langton Matthew J. 
Published: May 2021

AbstractSynthetic anion transporters show much promise as potential anti‐cancer agents and therapeutics for diseases associated with mis‐regulation of protein anion channels. In such applications high activity and anion selectivity are crucial to overcome competing proton or hydroxide transport which dissipates cellular pH gradients. Here, highly active bidentate halogen bonding and chalcogen bonding anion carriers based on electron deficient iodo‐ and telluromethyl−triazole derivatives are reported. Anion transport experiments in lipid bilayer vesicles reveal record nanomolar chloride transport activity for the bidentate halogen bonding anion carrier, and remarkably high chloride over proton/hydroxide selectivity for the chalcogen bonding anionophore. Computational studies provide further insight into the role of sigma‐hole mediated anion recognition and desolvation at the membrane interface. Comparison with hydrogen bonding analogues demonstrates the importance of employing sigma‐hole donor motifs in synthetic anionophores for achieving both high transport activity and selectivity.
Non‐vitamin K antagonist oral anticoagulants versus vitamin K antagonists in atrial fibrillation patients with previous stroke or intracranial hemorrhage: A systematic review and meta‐analysis of observational studies
Authors: Guo Zongwen , Ding Xiaoli , Ye Zi , Chen Weiling , Chen Yijian 
Published: May 2021

AbstractSeveral observational studies have compared the effectiveness and safety outcomes between nonvitamin K antagonist oral anticoagulants (NOACs) and vitamin K antagonists (VKAs) in atrial fibrillation (AF) patients with a history of either stroke/transient ischemic attack (TIA) or intracranial hemorrhage. Therefore, our current meta‐analysis aimed to address this issue. The Cochrane Library, PubMed, and Embase databases were systematically searched until December 2020 for all relevant observational studies. We applied a random‐effects model to pool adjusted hazard ratios (HRs) and 95% confidence intervals (CIs) for this meta‐analysis. A total of 10 studies were included. Among patients with a history of stroke/TIA, the use of NOACs versus VKAs was associated with decreased risks of stroke (HR, 0.82, 95% CI 0.69–0.97), systemic embolism (HR, 0.73, 95% CI 0.61–0.87), all‐cause death (HR, 0.87, 95% CI 0.81–0.94), major bleeding (HR, 0.77, 95% CI 0.64–0.92) and intracranial hemorrhage (HR, 0.54, 95% CI 0.38–0.77). Among patients with a history of intracranial hemorrhage, the use of NOACs versus VKAs was associated with reduced risks of stroke (HR, 0.81, 95% CI 0.68–0.95), all‐cause death (HR, 0.68, 95% CI 0.49–0.94), and intracranial hemorrhage (HR, 0.66, 95% CI 0.51–0.84). Compared with VKAs, the use of NOACs exhibited superior efficacy and safety outcomes in AF patients with previous stroke/TIA, and the use of NOACs was associated with reduced risks of stroke, all‐cause death, and intracranial hemorrhage in patients with a history of intracranial hemorrhage.
A validated mathematical model of FGFR3‐mediated tumor growth reveals pathways to harness the benefits of combination targeted therapy and immunotherapy in bladder cancer
Authors: Okuneye Kamaldeen , Bergman Daniel , Bloodworth Jeffrey C. , Pearson Alexander T. , Sweis Randy F. , Jackson Trachette L. 
Published: May 2021

AbstractBladder cancer is a common malignancy with over 80,000 estimated new cases and nearly 18,000 deaths per year in the United States alone. Therapeutic options for metastatic bladder cancer had not evolved much for nearly four decades, until recently, when five immune checkpoint inhibitors were approved by the U.S. Food and Drug Administration (FDA). Despite the activity of these drugs in some patients, the objective response rate for each is less than 25%. At the same time, fibroblast growth factor receptors (FGFRs) have been attractive drug targets for a variety of cancers, and in 2019 the FDA approved the first therapy targeted against FGFR3 for bladder cancer. Given the excitement around these new receptor tyrosine kinase and immune checkpoint targeted strategies, and the challenges they each may face on their own, emerging data suggest that combining these treatment options could lead to improved therapeutic outcomes. In this paper, we develop a mathematical model for FGFR3‐mediated tumor growth and use it to investigate the impact of the combined administration of a small molecule inhibitor of FGFR3 and a monoclonal antibody against the PD‐1/PD‐L1 immune checkpoint. The model is carefully calibrated and validated with experimental data before survival benefits, and dosing schedules are explored. Predictions of the model suggest that FGFR3 mutation reduces the effectiveness of anti‐PD‐L1 therapy, that there are regions of parameter space where each monotherapy can outperform the other, and that pretreatment with anti‐PD‐L1 therapy always results in greater tumor reduction even when anti‐FGFR3 therapy is the more effective monotherapy.
AC electrokinetic isolation and detection of extracellular vesicles from dental pulp stem cells: Theoretical simulation incorporating fluid mechanics
Authors: Hadady Hanieh , Karamali Fereshteh , Ejeian Fatemeh , Haghjooy Javanmard Shaghayegh , Rafiee Laleh , Nasr Esfahani Mohammad Hossein 
Published: May 2021

AbstractExtracellular vesicles (EVs) are cell‐derived nanoscale vesicles involved in intracellular communication and the transportation of biomarkers. EVs released by mesenchymal stem cells have been recently reported to play a role in cell‐free therapy of many diseases. However, the demand for better research tools to replace the tedious conventional methods used to study EVs is getting stronger. EVs' manipulation using alternating current (AC) electrokinetic forces in a microfluidic device has appeared to be a reliable and sensitive diagnosis and trapping technique. Given that different AC electrokinetic forces may contribute to the overall motion of particles and fluids in a microfluidic device, EVs' electrokinetic trapping must be examined considering all dominant forces involved depending on the experimental conditions. In this paper, AC electrokinetic trapping of EVs using an interdigitated electrode arrays is investigated. A 2D numerical simulation incorporating the two significant AC electrokinetic phenomena (Dielectrophoresis and AC electroosmosis) has been performed. Theoretical predictions are then compared with experimental results and allow for a plausible explanation of observations inconsistent with DEP theory. It is demonstrated that the inconsistencies can be attributed to a significant extent to the contribution of the AC electroosmotic effect.
Carbon capture, utilization, and storage hub development on the Gulf Coast
Authors: Meckel T.A. , Bump A.P. , Hovorka S.D. , Trevino R.H. 
Published: May 2021

AbstractThe Gulf Coast of the United States hosts diverse power generation, refining, and petrochemical processing facilities, resulting in the nation's largest volumetric concentration of industrial CO2 emissions, rivaled only by the Ohio River Valley. These emissions sources are concentrated in specific industrial clusters that allow combining emissions streams to achieve economies of scale. The region is currently undergoing globally significant industrial expansion and investment as a result of abundant and inexpensive regional unconventional natural gas availability, and is a growing exporter of liquefied natural gas (LNG). Opportunities to integrate CO2 emission management within the diverse energy chains in the region are volumetrically significant and include both concentrated and dilute sources. Significant examples of capture, transport, and storage exist. Offshore storage is particularly attractive, as it provides simplified land leasing models (single governmental land owner), proven reservoir quality, and presents fewer risks to both protected groundwater and populated areas. Projects can now take advantage of recently expanded opportunities under section 45Q of the Internal Revenue Service tax code. The region continues to evolve as an active carbon‐handling hub, and is uniquely suited to justify additional investment in carbon capture, utilization, and storage (CCUS) technologies via a large‐scale integrated project development. Continued development of integrated projects will allow the region to continue to grow economically within its strong fossil‐fuel handling competence focus while advancing low‐carbon energy technologies that maintain globally competitiveness. © 2021 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.