bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chalcogen‐Transfer Rearrangement: Exploring Inter‐ versus Intramolecular P−P Bond Activation
Authors: Franz Roman , Nasemann Sina , Bruhn Clemens , Kelemen Zsolt , Pietschnig Rudolf 
Published: July 2020

Abstracttert‐Butyl‐substituted diphospha[2]ferrocenophane has been used as a stereochemically confined diphosphane to explore the addition of O, S, Se and Te. Although the diphosphanylchalcogane has been obtained for tellurium, all other chalcogens give diphosphane monochalcogenides. The latter transform via chalcogen‐transfer rearrangement to the corresponding diphosphanylchalcoganes upon heating. The kinetics of this rearrangement has been followed with NMR spectroscopy supported by DFT calculations. Intermediates during rearrangement point to a disproportionation/synproportionation mechanism for the S and Se derivatives. Cyclic voltammetry together with DFT studies indicate ferrocene‐centred oxidation for most of the compounds presented.
Turning Photons into Drugs: Phthalocyanine‐Based Photosensitizers as Efficient Photoantimicrobials
Authors: Galstyan Anzhela 
Published: July 2020

AbstractOne of the most promising alternatives for treating bacterial infections is antimicrobial photodynamic therapy (aPDT), making the synthesis and application of new photoactive compounds called photosensitizers (PS) a dynamic research field. In this regard, phthalocyanine (Pc) derivatives offer great opportunities due to their extraordinary light‐harvesting and tunable electronic properties, structural versatility, and stability. This Review, rather than focusing on synthetic strategies, intends to overview current progress in the structural design strategies for Pcs that could achieve effective photoinactivation of microorganisms. In addition, the Review provides a concise look into the recent developments and applications of nanocarrier‐based Pc delivery systems.
Isolated Cobalt Ions Embedded in Magnesium Oxide Nanostructures: Spectroscopic Properties and Redox Activity
Authors: Schwab Thomas , Niedermaier Matthias , Zickler Gregor A. , Ončák Milan , Diwald Oliver 
Published: July 2020

AbstractAtomic dispersion of dopants and control over their defect chemistry are central goals in the development of oxide nanoparticles for functional materials with dedicated electronic, optical or magnetic properties. We produced highly dispersed oxide nanocubes with atomic distribution of cobalt ions in substitutional sites of the MgO host lattice via metal organic chemical vapor synthesis. Vacuum annealing of the nanoparticle powders up to 1173 K has no effect on the shape of the individual particles and only leads to moderate particle coarsening. Such materials processing, however, gives rise to the electronic reduction of particle surfaces, which—upon O2 admission—stabilize anionic oxygen radicals that are accessible to UV/Vis diffuse reflectance and electron paramagnetic resonance (EPR) spectroscopy. Multi‐reference quantum chemical calculations show that the optical bands observed mainly originate from transitions into 4A2g (4F), 4T1g (4P) states with a contribution of transitions into 2T1g, 2T2g (2G) states through spin‐orbit coupling and gain intensity through vibrational motion of the MgO lattice or the asymmetric ion field. Related nanostructures are a promising material system for single atomic site catalysis. At the same time, it represents an extremely valuable model system for the study of interfacial electron transfer processes that are key to nanoparticle chemistry and photochemistry at room temperature, and in heterogeneous catalysis.
Terminal Alkyne Coupling Reactions Through a Ring: Effect of Ring Size on Rate and Regioselectivity
Authors: Storey Caroline M. , Gyton Matthew R. , Andrew Rhiann E. , Chaplin Adrian B. 
Published: July 2020

AbstractTerminal alkyne coupling reactions promoted by rhodium(I) complexes of macrocyclic NHC‐based pincer ligands—which feature dodecamethylene, tetradecamethylene or hexadecamethylene wingtip linkers viz. [Rh(CNC‐n)(C2H4)][BArF4] (n=12, 14, 16; ArF=3,5‐(CF3)2C6H3)—have been investigated, using the bulky alkynes HC≡CtBu and HC≡CAr’ (Ar’=3,5‐tBu2C6H3) as substrates. These stoichiometric reactions proceed with formation of rhodium(III) alkynyl alkenyl derivatives and produce rhodium(I) complexes of conjugated 1,3‐enynes by C−C bond reductive elimination through the annulus of the ancillary ligand. The intermediates are formed with orthogonal regioselectivity, with E‐alkenyl complexes derived from HC≡CtBu and gem‐alkenyl complexes derived from HC≡CAr’, and the reductive elimination step is appreciably affected by the ring size of the macrocycle. For the homocoupling of HC≡CtBu, E‐tBuC≡CCH=CHtBu is produced via direct reductive elimination from the corresponding rhodium(III) alkynyl E‐alkenyl derivatives with increasing efficacy as the ring is expanded. In contrast, direct reductive elimination of Ar'C≡CC(=CH2)Ar’ is encumbered relative to head‐to‐head coupling of HC≡CAr’ and it is only with the largest macrocyclic ligand studied that the two processes are competitive. These results showcase how macrocyclic ligands can be used to interrogate the mechanism and tune the outcome of terminal alkyne coupling reactions, and are discussed with reference to catalytic reactions mediated by the acyclic homologue [Rh(CNC‐Me)(C2H4)][BArF4] and solvent effects.
Photoregulation of Gene Expression with Amantadine‐Modified Caged siRNAs through Host–Guest Interactions
Authors: Zhang Jinhao , Jing Nannan , Fan Xinli , Tang Xinjing 
Published: July 2020

AbstractRNA interference is an essential and powerful tool for targeting and verifying specific gene functions. Conditional control of small interfering RNA (siRNA) activity, especially using light activation, is a potential method for regulating target gene expression and functions. In this study, a series of photolabile siRNAs with amantadine modification have been rationally designed and developed through host–guest interactions between amantadine and β‐cyclodextrin derivatives to enhance the blocking effect of siRNA binding and/or RNA‐induced silencing complex processing. These caged siRNAs with amantadine modification at the 5′ end of antisense‐strand RNA were efficiently inactivated through the host–guest interactions between amantadine and β‐cyclodextrin. Photomodulation of the gene silencing activity of these amantadine‐modified caged siRNAs targeting both exogenous and endogenous genes was successfully achieved, which indicates that host–guest interactions could be a new strategy for developing new caged siRNAs for gene photoregulation with low leaking activity.
Colorectal cancer risk based on extended family history and body mass index
Authors: Ochs‐Balcom Heather M. , Kanth Priyanka , Farnham James M. , Abdelrahman Samir , Cannon‐Albright Lisa A. 
Published: July 2020

AbstractFamily history and body mass index (BMI) are well‐known risk factors for colorectal cancer (CRC), however, their joint effects are not well described. Using linked data for genealogy, self‐reported height and weight from driver's licenses, and the Utah Surveillance, Epidemiology, and End‐Results cancer registry, we found that an increasing number of first‐degree relatives (FDR) with CRC is associated with higher standardized incidence ratio (SIR) for overweight/obese probands but not for under/normal weight probands. For probands with two CRC‐affected FDRs, the SIR = 1.91 (95% CI [0.52, 4.89]) for under/normal weight probands and SIR = 4.31 (95% CI [2.46, 7.00]) for overweight/obese probands. In the absence of CRC‐affected FDRs, any number of CRC‐affected SDRs did not significantly increase CRC risk for under/normal weight probands, but for overweight/obese probands with at least three CRC‐affected SDRs the SIR = 2.68 (95% CI [1.29, 4.93]). In the absence of CRC‐affected FDRs and SDRs, any number of CRC‐affected third‐degree relatives (TDRs) did not increase risk in under/normal weight probands, but significantly elevated risk for overweight/obese probands with at least two CRC‐affected TDRs was observed; SIR = 1.32 (95% CI [1.04, 1.65]). For nonsyndromic CRC, maximum midlife BMI affects risk based on family history and should be taken into account for CRC risk communication when possible.
Turning rural villages into the home front for social stability—Examination of coronavirus disease 2019 control experiences in rural areas in China
Authors: Zhang Xiaoyan , Xiang Chen 
Published: July 2020

SummarySince the outbreak of COVID‐19, the disease has continued to spread and countries around the world have been plagued by its causal agent, the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). In the comprehensive fight against the SARS‐CoV‐2, China has taken a series of important measures, achieved major victories in safeguarding people's lives and health, and accumulated important experience. Rural epidemic prevention and control is a basic part of the entire prevention and control system, with certain particularities. This study summarizes China's experience in preventing and controlling COVID‐19 and the local measures taken to effectively prevent the spread of the disease in rural areas. All countries worldwide can learn from China's experience and take measures according to their own national and local conditions to effectively achieve the rural prevention and control of COVID‐19. Meanwhile, the crisis itself can be viewed as a new opportunity for rural development.
The impact of COVID‐19 on services for people affected by sexual and gender‐based violence
Authors: Johnson Katy , Green Lindsey , Volpellier Muriel , Kidenda Suzanne , McHale Thomas , Naimer Karen , Mishori Ranit 
Published: July 2020

AbstractSexual and gender‐based violence (SGBV), and particularly intimate partner violence (IPV), has spiked dramatically during the COVID‐19 pandemic. At the same time, the pandemic is impacting and interrupting SGBV and IPV services of all kinds. This paper focuses on the impact of the COVID‐19 pandemic on clinical care and forensic medical documentation for SGBV survivors, including an analysis of the response in the UK and Kenya, and provides recommendations for safe implementation of these services during the pandemic.
Benefits and tradeoffs of reduced tillage and manure application methods in a Zea mays silage system
Authors: Dittmer Kyle M. , Darby Heather M. , Goeschel Tyler R. , Adair E. Carol 
Published: July 2020

AbstractA critical question is whether there are agricultural management practices that can attain the multiple management goals of increasing yields, preventing nutrient losses, and suppressing greenhouse gas (GHG) emissions. No‐till and manure application methods, such as manure injection, can enhance nutrient retention, but both may also enhance emissions of nitrous oxide (N2O), a powerful GHG. We assessed differences in soil N2O and carbon dioxide (CO2) emissions, nitrate and ammonium retention, and crop yield and protein content under combinations of vertical‐till, no‐till, manure injection, and manure broadcast without incorporation in a corn (Zea mays L.) silage system. During the growing seasons of 2015–2017, GHG emissions and soil mineral nitrogen (N) were measured every other week or more frequently after management events. Crop yield and protein content were measured annually at harvest. No‐till reduced CO2 emissions but had no impact on N2O emissions relative to vertical‐till. Manure injection increased N2O and CO2 emissions, with the magnitude of this effect being greatest for 1 mo post‐application. Manure injection also increased soil ammonium and nitrate but did not increase yield or crop quality relative to broadcast application. Similarly, tillage did not affect crop yield or protein content. Despite the tradeoffs between mineral N retention and elevated GHG emissions, manure injection in no‐till systems benefits farmers by reducing soil carbon losses as CO2, retaining mineral N, and maintaining crop yields and quality.
The purinergic P2X7 receptor as a potential drug target to combat neuroinflammation in neurodegenerative diseases
Authors: Calzaferri Francesco , Ruiz‐Ruiz Cristina , de Diego Antonio M. G. , de Pascual Ricardo , Méndez‐López Iago , Cano‐Abad María F. , Maneu Victoria , de los Ríos Cristóbal , Gandía Luis , García Antonio G. 
Published: July 2020

AbstractNeurodegenerative diseases (NDDs) represent a huge social burden, particularly in Alzheimer's disease (AD) in which all proposed treatments investigated in murine models have failed during clinical trials (CTs). Thus, novel therapeutic strategies remain crucial. Neuroinflammation is a common pathogenic feature of NDDs. As purinergic P2X7 receptors (P2X7Rs) are gatekeepers of inflammation, they could be developed as drug targets for NDDs. Herein, we review this challenging hypothesis and comment on the numerous studies that have investigated P2X7Rs, emphasizing their molecular structure and functions, as well as their role in inflammation. Then, we elaborate on research undertaken in the field of medicinal chemistry to determine potential P2X7R antagonists. Subsequently, we review the state of neuroinflammation and P2X7R expression in the brain, in animal models and patients suffering from AD, Parkinson's disease, amyotrophic lateral sclerosis, Huntington's disease, multiple sclerosis, and retinal degeneration. Next, we summarize the in vivo studies testing the hypothesis that by mitigating neuroinflammation, P2X7R blockers afford neuroprotection, increasing neuroplasticity and neuronal repair in animal models of NDDs. Finally, we reviewed previous and ongoing CTs investigating compounds directed toward targets associated with NDDs; we propose that CTs with P2X7R antagonists should be initiated. Despite the high expectations for putative P2X7Rs antagonists in various central nervous system diseases, the field is moving forward at a relatively slow pace, presumably due to the complexity of P2X7Rs. A better pharmacological approach to combat NDDs would be a dual strategy, combining P2X7R antagonism with drugs targeting a selective pathway in a given NDD.
COVID‐19–associated Guillain‐Barré syndrome: The early pandemic experience
Authors: Caress James B. , Castoro Ryan J. , Simmons Zachary , Scelsa Stephen N. , Lewis Richard A. , Ahlawat Aditi , Narayanaswami Pushpa 
Published: July 2020

AbstractGuillain‐Barré syndrome (GBS) is an inflammatory polyradiculoneuropathy associated with numerous viral infections. Recently, there have been many case reports describing the association between coronavirus disease‐2019 (COVID‐19) and GBS, but much remains unknown about the strength of the association and the features of GBS in this setting. We reviewed 37 published cases of GBS associated with COVID‐19 to summarize this information for clinicians and to determine whether a specific clinical or electrodiagnostic (EDx) pattern is emerging. The mean age (59 years), gender (65% male), and COVID‐19 features appeared to reflect those of hospitalized COVID‐19 patients early in the pandemic. The mean time from COVID‐19 symptoms to GBS symptoms was 11 days. The clinical presentation and severity of these GBS cases was similar to those with non–COVID‐19 GBS. The EDx pattern was considered demyelinating in approximately half of the cases. Cerebrospinal fluid, when assessed, demonstrated albuminocytologic dissociation in 76% of patients and was negative for severe acute respiratory distress syndrome–coronavirus‐2 (SARS‐CoV‐2) in all cases. Serum antiganglioside antibodies were absent in 15 of 17 patients tested. Most patients were treated with a single course of intravenous immunoglobulin, and improvement was noted within 8 weeks in most cases. GBS‐associated COVID‐19 appears to be an uncommon condition with similar clinical and EDx patterns to GBS before the pandemic. Future studies should compare patients with COVID‐19–associated GBS to those with contemporaneous non–COVID‐19 GBS and determine whether the incidence of GBS is elevated in those with COVID‐19.
Redox Responsive Metal Organic Framework Nanoparticles Induces Ferroptosis for Cancer Therapy
Authors: He Haozhe , Du Lihua , Guo Huanling , An Yongcheng , Lu Liejing , Chen Yali , Wang Yong , Zhong Huihai , Shen Jun , Wu Jun , Shuai Xintao 
Published: July 2020

AbstractFerroptosis is attracting significant attention due to its effectiveness in tumor treatment. The efficiency to produce toxic lipid peroxides (LPOs) at the tumor site plays a key role in ferroptosis. A hybrid PFP@Fe/Cu‐SS metal organic framework (MOF) is synthesized and shown to increase intratumoral LPO content through redox reactions generating ·OH. In addition, glutathione (GSH) depletion through disulfide‐thiol exchange leads to the inactivation of glutathione peroxide 4 (GPX4), which results in a further increase in LPO content. This MOF exhibits high inhibitory effect on the growth of xenografted Huh‐7 tumors in mice. The coadministration of a ferroptosis inhibitor reduces the antitumor effect of the MOF, leading to a restoration of GPX4 activity and an increase in tumor growth. Moreover, the construction of Cu into mesoporous PFP@Fe/Cu‐SS not only allows the MOF to be used as a contrast agent for T1‐weighted magnetic resonance imaging, but also renders its photothermal conversion capacity. Thus, near‐infrared irradiation is able to induce photothermal therapy and transform the encapsulated liquid perfluoropentane into microbubbles for ultrasound imaging.
Evaluating shortfalls and spatial accuracy of biodiversity documentation in the Atlantic Forest, the most diverse and threatened Brazilian phytogeographic domain
Authors: Colli‐Silva Matheus , Reginato Marcelo , Cabral Andressa , Forzza Rafaela Campostrini , Pirani José Rubens , Vasconcelos Thais N. da C. 
Published: July 2020

AbstractDigital accessible knowledge of biodiversity data is an increasingly important source of information in studies of biogeography and conservation. These databases can also reveal temporal, spatial and taxonomical gaps in biodiversity documentation, even in areas that have been intensively studied and from where accurate species lists are available. Therefore, revealing these gaps may help allocating collecting efforts, conservation priorities and strategies for improving database curation. Here, we evaluate potential shortfalls for flowering plants in a tropical hotspot, the Brazilian Atlantic Forest, by cross‐referencing two online repositories of biodiversity data (the Global Biodiversity Information Facility – GBIF – and the Brazilian Flora 2020 floristic database – BFG). We aimed to evaluate the congruence between those repositories, highlighting tendencies in current documentation for this area. We found that from the 7220 reported flowering plant species endemics to the Atlantic Forest, 1573 (22%) have no valid spatial data in GBIF, and 75% of all of the 605,951 records do not present valid spatial information. Most of the missing information is related to species known only from few and old collections with absent or inaccurately georeferenced data. This lack of information may cause a large impact in spatial studies, especially for rare and threatened species. Nevertheless, our analysis also shows that spatial information for the filtered data is highly congruent between GBIF and BFG data, indicating relatively high availability of quality data in large repositories after standard and automatized cleaning procedures. Still, good practices to decrease the impact of losing data are recommended, including more investment in field collections, targeting poorly known species and returning cleaned spatial datasets to online repositories after taxonomic revisions.
Electric and magnetic poling effects on two equal collinear semi‐permeable cracks in magneto‐electro‐elastic materials
Authors: Jangid Kamlesh 
Published: July 2020

AbstractIn this paper, the problem of two equal collinear semi‐permeable cracks is analytically studied for two‐dimensional arbitrarily polarized magneto‐electro‐elastic materials. The electric and magnetic poling directions make arbitrary angles with the crack line. Stroh's formalism and complex variable methodology are utilized to reduce the problem into non‐homogeneous Riemann–Hilbert problem. This numerical problem is then comprehended with the Riemann–Hilbert way to obtain the stress, electric displacement, and magnetic induction components at any point in the domain. The explicit expressions for the crack opening displacement, crack opening potential drop, crack opening induction drop, and the intensity factors are derived. A numerical contextual analysis is displayed for the composite. The numerical examination demonstrates that the change in electric/magnetic poling directions influences the different crack parameters.
Custom total knee arthroplasty facilitates restoration of constitutional coronal alignment
Authors: Bonnin Michel P. , Beckers Lucas , Leon Augustin , Chauveau Jules , Müller Jacobus H. , Tibesku Carsten O. , Aït-Si-Selmi Tarik 
Published: July 2020

Abstract
Purpose
To describe a strategy for coronal alignment using a computed tomography (CT) based custom total knee arthroplasty (TKA) system, and to evaluate the agreement between the planned and postoperative Hip–Knee–Ankle (HKA) angle, Femoral Mechanical Angle (FMA) and Tibial Mechanical Angle (TMA).

Methods
From a consecutive series of 918 primary TKAs, 266 (29%) knees received CT-based posterior-stabilized cemented custom TKA. In addition to a preoperative CT-scan, pre- and post-operative radiographs of weight-bearing long leg, anterior–posterior and lateral views of the knee were obtained, on which the FMA, TMA and HKA angles were measured. CT-based three-dimensional (3D) models enabled to correct for cases with bony wear by referring to the non-worn areas and to estimate the native pre-arthritic angles. The alignment technique aimed to preserve or restore constitutional alignment (CA) within predetermined limits, by defining a ‘target zone’ based on three criteria: 1) a ± 3° (range 87°–93°) primary tolerance for the femoral and tibial resections; 2) a ± 2° secondary tolerance for component obliquity, extending the bounds for FMA and TMA (range 85°–95°); 3) a planned HKA angle range of 175°–183°. Agreement between preoperative, planned and postoperative measurements of FMA, TMA and HKA angle were calculated using intra-class correlation coefficients (ICC).

Results
Preoperative radiograph and CT-scan measurements revealed that, respectively, 73 (28%) and 103 (40%) knees were in the ‘target zone’, whereas postoperative radiographs revealed that 217 (84%) TKAs were in the ‘target zone’. Deviation from the planned angles were − 0.5° ± 1.8° for FMA, − 0.5° ± 1.8° for TMA, and − 1.1° ± 2.1° for HKA angle. Finally, the agreement between the planned and achieved targets, indicated by ICC, were good for FMA (0.701), fair for TMA (0.462) and fair for HKA angle (0.472).

Conclusion
Using this strategy for coronal alignment, 84% of custom TKAs were within the ‘target zone’ for FMA, TMA and HKA angles. These findings support the concepts of emerging personalized medicine technologies, and emphasise the importance of accurate strategies for preoperative planning, which are key to achieving satisfactory ‘personalised alignment’ that can further be improved by customisation of implant components.

Level of evidence
IV.