bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diversification of Molinia‐dominated blanket bogs using Sphagnum propagules
Authors: Pilkington Mike , Walker Jonathan , Fry Chris , Eades Phil , Meade Roger , Pollett Nicholas , Rogers Tony , Helliwell Tom , Chandler David , Fawcett Emma , Keatley Tom 
Published: December 2021

Abstract

Increasing dominance by purple moor grass, Molinia caerulea (‘Molinia’) on globally rare and protected blanket bogs of the United Kingdom and the South Pennines is a growing threat to diversity and carbon storage, as well as increasing the risk of wildfire.

In a trial to increase diversity using Sphagnum plugs planted on three Molinia‐dominated sites in the South Pennines, an initial rapid increase in cover of plug‐derived Sphagnum (PDS) suggested an advantage over that of naturally occurring Sphagnum colonies, the latter remaining below 1% cover throughout; subsequent plateauing of PDS cover in areas of moderate Molinia cover (<80%) was linked with drought stress, whereas declining cover in Molinia‐dense areas (>80%) suggested additional competition for light.

The cover of Molinia was only weakly reduced by, and then completely recovered from, a baseline flailing treatment. Increasing cover of PDS in all of the treatments had no clear effect on the cover of Molinia.

The cover of naturally occurring indicator species was strongly reduced by the baseline flailing treatment; subsequent recovery was not complete, even with contributions by PDS. There was a negative linear relationship between Molinia cover and indicator species cover, over all ranges of Molinia cover.

Water table depths were lowered by PDS during the first 3 years of the trial, perhaps due to facilitated capillary conduction of water through the buried plug tissues.

It was concluded that PDS can establish rapidly amongst Molinia, boosting the diversity and cover of indicator species, but that establishment is slower in areas of dense Molinia and also likely to be hampered by periods of severe drought stress. Prior flailing had no clear benefit on the growth of PDS but reduced the cover of naturally occurring indicator species. Further investigations should include the role of water stress, shading and phosphorus limitation in restricting the growth of PDS within Molinia‐dominated swards.
Deep‐learning‐assisted algorithm for catheter reconstruction during MR‐only gynecological interstitial brachytherapy
Authors: Shaaer Amani , Paudel Moti , Smith Mackenzie , Tonolete Frances , Ravi Ananth 
Published: December 2021

AbstractMagnetic resonance imaging (MRI) offers excellent soft‐tissue contrast enabling the contouring of targets and organs at risk during gynecological interstitial brachytherapy procedure. Despite its advantage, one of the main obstacles preventing a transition to an MRI‐only workflow is that implanted plastic catheters are not reliably visualized on MR images. This study aims to evaluate the feasibility of a deep‐learning‐based algorithm for semiautomatic reconstruction of interstitial catheters during an MR‐only workflow. MR images of 20 gynecological patients were used in this study. Note that 360 catheters were reconstructed using T1‐ and T2‐weighted images by five experienced brachytherapy planners. The mean of the five reconstructed paths were used for training (257 catheters), validation (15 catheters), and testing/evaluation (88 catheters). To automatically identify and localize the catheters, a two‐dimensional (2D) U‐net algorithm was used to find their approximate location in each image slice. Once localized, thresholding was applied to those regions to find the extrema, as catheters appear as bright and dark regions in T1‐ and T2‐weighted images, respectively. The localized dwell positions of the proposed algorithm were compared to the ground truth reconstruction. Reconstruction time was also evaluated. A total of 34 009 catheter dwell positions were evaluated between the algorithm and all planners to estimate the reconstruction variability. The average variation was 0.97 ± 0.66 mm. The average reconstruction time for this approach was 11 ± 1 min, compared with 46 ± 10 min for the expert planners. This study suggests that the proposed deep learning, MR‐based framework has potential to replace the conventional manual catheter reconstruction. The adoption of this approach in the brachytherapy workflow is expected to improve treatment efficiency while reducing planning time, resources, and human errors.
Boosting K+ Capacitive Storage in Dual‐Doped Carbon Crumples with B–N Moiety via a General Protic‐Salt Synthetic Strategy
Authors: Lian Xueyu , Zhou Junhua , You Yizhou , Tian Zhengnan , Yi Yuyang , Choi Jin‐Ho , Rümmeli Mark H. , Sun Jingyu 
Published: December 2021

AbstractThe heteroatom co‐doped carbonaceous anodes have readily attracted great attention in potassium‐ion batteries (PIBs), owing to their augmented carbon interlayer distances and increased K+ storage sites to induce enhanced capacity value. Nevertheless, the synergistic effect of dual‐doped heteroatoms is still unclear and lacks systematic explorations. In addition, traditional synthetic routes are cumbersome with template removal step, which are normally deficient in product scalability. Herein, a generic protic‐salt strategy is devised to realize sulfur‐, phosphorus‐ or boron‐nitrogen dual‐doped carbon (SNC, PNC, or BNC) via varying the types of protic precursors (e.g., the acid). Throughout comprehensive instrumental probing and theoretical simulation, it is identified that the presence of B–N moiety can harvest high adsorption capability of K+ and hence exhibit more obvious pseudo‐capacitance behavior than bare N‐doped carbon counterpart. As a PIB anode, the BNC electrode displays an impressive reversible capacity (360.5 mAh g−1 at 0.1 A g−1) and cycle stability (125.4 mAh g−1 at 1 A g−1 after 3000 cycles). In situ/ex situ characterizations further reveal the origin of the excellent electrochemical properties of the BNC electrode. Such a tailorable protic‐salt derived anode material offers new possibilities to advance PIB devices.
Bioinspired 2D Isotropically Fatigue‐Resistant Hydrogels
Authors: Liang Xiangyu , Chen Guangda , Lin Shaoting , Zhang Jiajun , Wang Liu , Zhang Pei , Lan Yang , Liu Ji 
Published: December 2021

AbstractEngineering conventional hydrogels with muscle‐like anisotropic structures can efficiently increase the fatigue threshold over 1000 J m−2 along the alignment direction; however, the fatigue threshold perpendicular to the alignment is still as low as ≈100–300 J m−2, making them nonsuitable for those scenarios where isotropic properties are desired. Here, inspired by the distinct structure–properties relationship of heart valves, a simple yet general strategy to engineer conventional hydrogels with unprecedented yet isotropic fatigue resistance, with a record‐high fatigue threshold over 1,500 J m−2 along two arbitrary in‐plane directions is reported. The two‐step process involves the formation of preferentially aligned lamellar micro/nanostructures through a bidirectional freeze‐casting process, followed by compression annealing, synergistically contributing to extraordinary resistance to fatigue crack propagation. The study provides a viable means of fabricating soft materials with isotropically extreme properties, thereby unlocking paths to apply these advanced soft materials toward applications including soft robotics, flexible electronics, e‐skins, and tissue patches.
Iron‐Catalyzed One‐Step Synthesis of Isothiazolone/1,2‐Selenazolone Derivatives via [3+1+1] Annulation of Cyclopropenones, Anilines, and Elemental Chalcogens
Authors: Wang Hongchen , Yan Rulong 
Published: December 2021

AbstractDescribed herein is the one‐step synthesis of isothiazolone/1,2‐selenazolone derivatives via [3+1+1] cycloaddition of cyclopropenone derivatives, anilines, and elemental chalcogens. The cascade reaction involves the C−S, C−N, and N−S bond formation along with the cleavage of C−C bond. Both anilines and cyclopropenones are tolerated and give the corresponding products in 28–73% yields.magnified image
Tunable Charge‐Density PEDOT:PSS for Application in Post‐Synaptic Organic Neuromorphic Electrodes
Authors: Barbosa Henrique F. P. , Higuita Germán D. Gómez , Günther Florian , Faria Gregório C. 
Published: December 2021

AbstractSince the discovery of neuromorphic computing, the search for the ideal hardware technology has been the main focus of technological research and development in the area. Among the candidates, the electrochemical neuromorphic organic device (ENODe) shows promising properties such as low energy consumption, high computing efficiency, and relatively inexpensive units. However, ENODes suffer from long term instability, especially due to electrode degradation. Here, the use of a modified poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) synthesis is proposed to obtain intrinsically low‐charge density PEDOT:PSS inks for application as post‐synaptic electrodes in ENODes. The charge density of the synthesized inks is evaluated by optical spectroscopy, revealing that the amount of oxidizing agent in the synthesis route is directly correlated with the PEDOT:PSS charge density. ENODes fabricated with the synthesized low‐charge density PEDOT:PSS operate in the low‐voltage regime, with good stability and present non‐volatile memory levels. The easy‐to‐implement synthetic approach unlocks new strategies for producing stable and tunable charge‐density materials for constructing the next‐generation of organic neuromorphic devices.
A new yttrium‐based metal–organic framework for molecular sieving of propane from propylene with high propylene capacity
Authors: Tu Shi , Yu Liang , Wu Ying , Chen Yongwei , Wu Houxiao , Wang Liuqing , Liu Baoyu , Zhou Xin , Xiao Jing , Xia Qibin 
Published: December 2021

AbstractDeveloping energy‐efficient alternatives for propylene (C3H6) and propane (C3H8) separation is of great significance and challenge in the petrochemical industry. Herein, we report the rational design of a new yttrium‐based ultramicroporous metal–organic framework (MOF) comprised of 12‐connected hexanuclear [Y6(OH)8(COO)12]2− cluster and 5‐(3,5‐dicarboxybenzoylamino)isophthalic acid (H4dbai) with ftw topology. It possesses a suitable pore window size and a relatively large pore volume for molecular sieving separation of C3H8 from C3H6 with a high C3H6 capacity. At 298 K and 100 kPa, the adsorption capacity of C3H6 was 2.57 mmol/g, which is the highest among the reported C3H6/C3H8 molecular sieving MOF adsorbents. The molecular simulation revealed that the steric hindrance effect together with the electrostatic interaction of the oxygen sites in the window resulted in the molecular sieving separation of C3H6/C3H8. The breakthrough experiments confirmed its excellent separation performance under dynamic conditions to produce high purity (97.1%) of C3H6 with a working adsorption capacity of 1.75 mmol/g.
An Unusual Pair: Facile Formation and In Vivo Validation of Robust Sc–18F Ternary Complexes for Molecular Imaging
Authors: Whetter Jennifer N. , Vaughn Brett A. , Koller Angus J. , Boros Eszter 
Published: December 2021

AbstractFluorine‐18 remains the most widely clinically utilized radionuclide globally for positron emission tomography (PET). The emergence of therapeutic isotopes for the management of disease has produced a pronounced interest in matched, theranostic isotope pairs that can be employed in tandem for the diagnosis and stratification of patients for subsequent radiotherapy. 18F, however, does not have a suitable therapeutic isotopologue. Here, we demonstrate that the formation of [18F][Sc−F] ternary complexes is feasible under mild, aqueous conditions, producing chemically robust radiopharmaceuticals in high radiochemical yield and specific activity. A corresponding in vivo study with a cancer‐targeting [18F][Sc−F] tracer indicates excellent in vivo stability and produces exquisite PET image quality, rendering the 18F/47Sc isotope pair an unusual, yet chemically matched theranostic pair with excellent potential for clinical translation.
Photoredox‐Catalyzed Defluorinative Functionalizations of Polyfluorinated Aliphatic Amides and Esters
Authors: Ye Jian‐Heng , Bellotti Peter , Heusel Corinna , Glorius Frank 
Published: December 2021

AbstractSelective C−F bond functionalization of perfluoalkyl units has huge potential towards accessing functionalized organofluorinated compounds, but remains challenging due to the high C−F bond strength and inherent selectivity challenges. We report a new catalytic approach to the selective functionalization of strong C−F bonds in polyfluorinated aliphatic esters and amides. This simple reaction proceeds in mild and operational fashion with divergent conversions, including hydrodefluorination, defluoroalkylation, and defluoroalkenylation, affording a diverse array of important partially fluorinated motifs. Straightforward downstream chemistry towards fluorinated alcohols, amines and drug derivatives highlights the potential of the protocol.
Ressourcenminimierung im urbanen Kontext
Authors: Weidner Stefanie , Bechmann Roland , Sobek Werner 
Published: December 2021

AbstractInnerhalb der Systemgrenze Erde sind die vom Menschen nutzbaren Ressourcen faktisch begrenzt. Dennoch steigt der Verbrauch natürlicher Ressourcen durch ein anhaltendes Wachstum der Weltbevölkerung und einen Anstieg des Wohlstands in vielen Regionen jährlich weiter an. Die gebaute Umwelt (v. a. in Form von Städten und urbanen Strukturen) gehört zu den Haupttreibern des Ressourcenverbrauchs. In der hier vorgestellten Studie wird in einer phänomenologischen Untersuchung die Auswirkung bestimmter Parameter auf den Ressourcenverbrauch von typischen Wohnbauten analysiert. Darin werden das klassische Einfamilienhaus, vier‐ und sechsgeschossige Mehrfamilienhäuser und 20‐ bzw. 40‐geschossige Wohnhochhäuser quantifiziert und in drei unterschiedlichen urbanen Dichten in einem städtischen Kontext betrachtet. Darauf aufbauend zeigt eine Fallstudie Optimierungspotenzial für Hochhäuser auf, die sich unter bestimmten Umständen als eine nachhaltige Gebäudetypologie erweisen können.
The impact of systematic assessment for adverse events on unscheduled hospital utilization in patients receiving neoadjuvant or adjuvant chemotherapy: A retrospective multicenter study
Authors: Kim Jwa Hoon , Seo Seyoung , Kim Jee Hyun , Koh Su‐Jin , Ahn Yongchel , Jung Kyung Hae , Ahn Jin‐Hee , Kim Sung‐Bae , Kim Tae Won , Hong Yong Sang , Kim Sun Young , Kim Jeong Eun , Kim Sang‐We , Lee Dae Ho , Lee Jae Cheol , Choi Chang‐Min , Yoon Shinkyo , Jeong Jae Ho , Kim Hwa Jung , Suh Koung Jin , Kim Se Hyun , Kim Yu Jung , Min Young Joo , Baek Jin Ho , Park Sook Ryun 
Published: December 2021

AbstractBackgroundThis study was conducted to compare the reported adverse event (AE) profiles and unexpected use of medical services during chemotherapy between before and after the healthcare reimbursement of AE evaluation in patients with cancer.Patients and MethodsUsing the electronic medical record database system, extracted patients with breast, lung, gastric, and colorectal cancers receiving neoadjuvant or adjuvant chemotherapy between September 2013 and December 2016 at four centers in Korea were matched using the 1:1 greedy method: pre‐reimbursement group (n = 1084) and post‐reimbursement group (n = 1084). Unexpected outpatient department (OPD), emergency room (ER) visit, hospitalization rates, and chemotherapy completion rates were compared between the groups.ResultsThe baseline characteristics were well‐balanced between the groups. By chemotherapy cycle, hospitalization (1.8% vs. 2.3%; p = 0.039), and ER visit rates (3.3% vs. 3.9%; p = 0.064) were lower in the post‐reimbursement group than that in the pre‐reimbursement group. In particular, since cycle 2, ER visit and hospitalization rates were significantly lower in the post‐reimbursement group than those in the pre‐reimbursement group (2.6% vs. 3.3%; p = 0.020 and 1.4% vs. 2.0%; p = 0.007, respectively), although no significant differences were observed during cycle 1. The OPD visit rates were similar between both groups, regardless of cycles. The post‐reimbursement group had a higher proportion of patients who completed chemotherapy as planned than the pre‐reimbursement group (93.5% vs. 90.1%; p = 0.006). Post‐reimbursement group had more AEs reported, including alopecia, fatigue, diarrhea, anorexia, and peripheral neuropathy, during cycle 1 than the pre‐reimbursement group, which significantly decreased after cycle 2.ConclusionThe introduction of healthcare reimbursement for AE evaluation may help physicians capture and appropriately manage AEs, consequently, decreasing hospital utilization and increasing chemotherapy completion rates.
Bioinorganic Chemistry of Zinc in Relation to the Immune System
Authors: Planeta Kepp Kasper 
Published: December 2021

AbstractZinc is well‐known to have a central role in human inflammation and immunity and is itself an anti‐inflammatory and antiviral agent. Despite its massively documented role in such processes, the underlying chemistry of zinc in relation to specific proteins and pathways of the immune system has not received much focus. This short review provides an overview of this topic, with emphasis on the structures of key proteins, zinc coordination chemistry, and probable mechanisms involved in zinc‐based immunity, with some focus points for future chemical and biological research.
Enzymatic Beacons for Specific Sensing of Dilute Nucleic Acid**
Authors: Zhang Xiaoyu , Kotikam Venubabu , Rozners Eriks , Callahan Brian P. 
Published: December 2021

AbstractEnzymatic beacons, or E‐beacons, are 1 : 1 bioconjugates of the nanoluciferase enzyme linked covalently at its C‐terminus to hairpin forming ssDNA equipped with a dark quencher. We prepared E‐beacons biocatalytically using HhC, the promiscuous Hedgehog C‐terminal protein‐cholesterol ligase. HhC attached nanoluciferase site‐specifically to mono‐sterylated hairpin oligonucleotides, called steramers. Three E‐beacon dark quenchers were evaluated: Iowa Black, Onyx‐A, and dabcyl. Each quencher enabled sensitive, sequence‐specific nucleic acid detection through enhanced E‐beacon bioluminescence upon target hybridization. We assembled prototype dabcyl‐quenched E‐beacons specific for SARS‐CoV‐2. Targeting the E484 codon of the virus Spike protein, E‐beacons (80×10−12 M) reported wild‐type SARS‐CoV‐2 nucleic acid at ≥1×10−9 M by increased bioluminescence of 8‐fold. E‐beacon prepared for the SARS‐CoV‐2 E484K variant functioned with similar sensitivity. Both E‐beacons could discriminate their target from the E484Q mutation of the SARS‐CoV‐2 Kappa variant. Along with mismatch specificity, E‐beacons are two to three orders of magnitude more sensitive than synthetic molecular beacons.
Highly Efficient Oxygen‐Modulated Ru‐Based HER Electrocatalyst in a Wide pH Range
Authors: Jiang Yong , Qin Youcheng , Luo Wei , Liu Hao , Shen Wei , Jiang Yimin , Li Ming , He Rongxing 
Published: December 2021

AbstractCrystallized Ruthenium (Ru) metal with high hydrogen production activity is extremely unstable. Herein, we report an efficient and durable hydrogen evolution reaction (HER) electrocatalyst Ru‐MC (mesoporous carbon) synthesized by a special method, in which Ru3+ is added after the formation of spherical MC, leading to only a small amount of Ru being embedded and the vast majority being evenly distributed on the MC surface. The dispersed Ru nanoparticles not only prevent them from aggregation to greatly improve their stability (both over 160 hours in acidic and alkaline solutions), but also provide outstanding intrinsic catalytic activity because oxygen regulates the electronic structure of Ru nanoparticles. The as‐synthesized catalyst only needs an overpotential of 27 and 40 mV to deliver 10 mA cm−2 in 1.0 M KOH and 0.5 M H2SO4. The present work provides guidance for the design of efficient and stable Ru‐based HER electrocatalysts used in a wide pH range.
Z‐Scheme In2S3/NU‐1000 Heterojunction for Boosting Photo‐Oxidation of Sulfide into Sulfoxide under Ambient Conditions
Authors: Wang Lianlian , Shen Dalong , Zhang Heyao , Mo Bingyan , Wu Jie , Hou Hongwei 
Published: December 2021

AbstractPhotocatalytic oxidation of sulfide into sulfoxide has attracted extensive attention as an environmentally friendly strategy for chemical transformations or toxic chemicals degradation. Herein, we construct a series of In2S3/NU‐1000 heterojunction photocatalysts, which can efficiently catalyze the oxidation of sulfides to form sulfoxides as the sole product under LED lamp (full‐spectrum) illumination in air at room temperature. Especially, the sulfur mustard simulant, 2‐chloroethyl ethyl sulfide (CEES), can also be photocatalytically oxidized with In2S3/NU‐1000 to afford nontoxic 2‐chloroethyl ethyl sulfoxide (CEESO) selectively and effectively. In contrast, individual NU‐1000 and In2S3 show very low catalytic activity on this reaction. The significantly improved photocatalytic activity is ascribed to the constructing of an efficient Z‐scheme photocatalysts In2S3/NU‐1000, which exhibits the enhancement of light harvesting, the promotion of photogenerated electron‐hole separation, and the retention of high porosity of the parent MOF. Moreover, mechanism studies in photocatalytic oxidation reveal that the superoxide radical (.O2−) and singlet oxygen (1O2) are the main oxidative species in the oxidation system. This work exploits the opportunities for the construction of porous Z‐scheme photocatalysts based on the photoactive MOFs materials and inorganic semiconductors for promoting catalytic organic transformations. More importantly, it provides a route to the rational design of efficient photocatalysts for the detoxification of mustard gas.
Characterizing Enzyme Cooperativity with Imaging SAMDI‐MS
Authors: Grant Jennifer , Kimmel Blaise R. , Szymczak Lindsey C. , Roll Juliet , Mrksich Milan 
Published: December 2021

AbstractThis paper describes a method that combines a microfluidic device and self‐assembled monolayers for matrix‐assisted laser desorption/ionization mass spectrometry (SAMDI) mass spectrometry to calculate the cooperativity in binding of calcium ions to peptidylarginine deiminase type 2 (PAD2). This example uses only 120 μL of enzyme solution and three fluidic inputs. This microfluidic device incorporates a self‐assembled monolayer that is functionalized with a peptide substrate for PAD2. The enzyme and different concentrations of calcium ions are flowed through each of eight channels, where the position along the channel corresponds to reaction time and position across the channel corresponds to the concentration of Ca2+. Imaging SAMDI (iSAMDI) is then used to determine the yield for the enzyme reaction at each 200 μm pixel on the monolayer, providing a time course for the reactions. Analysis of the peptide conversion as a function of position and time gives the degree of cooperativity (n) and the concentration of ligand required for half maximal activity (K0.5) for the Ca2+ – dependent activation of PAD2. This work establishes a high‐throughput and label‐free method for studying enzyme‐ligand binding interactions and widens the applicability of microfluidics and matrix‐assisted laser desorption/ionization mass spectrometry (MALDI) imaging mass spectrometry.