bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold(I)‐Catalyzed Cascade Cyclization of Nitrogen or Oxygen Containing Nucleophile Tethered‐Vinylidenecyclopropanes to Pyrrole, Furan, Pyrrolidine and Piperidine Skeletons
Authors: Wei Jun‐Sheng , Xu Zi‐Yu , Wei Yin , Shi Min 
Published: May 2023

AbstractIn this paper, we report a gold(I)‐catalyzed cascade cyclization of N‐ or O‐nucleophile tethered‐vinylidenecyclopropanes (VDCPs), resulting in the synthesis of pyrrole, furan, pyrrolidine, and piperidine skeletons in 30%‐98% yields. Depending on the carbon chain length connecting the nucleophile and VDCPs, two reaction pathways are available, leading to different products. Both α‐amino VDCPs and α‐hydroxyl VDCPs, where nucleophiles and VDCPs are connected by a methylene group, undergo intramolecular nucleophilic addition and aromatization, followed by ring‐opening of the cyclopropane unit to produce substituted pyrroles and furans. By extending the chain length to three or four carbons, it becomes possible to form pyrrolidines and piperidines with a cyclobutene moiety via ring expansion of the cyclopropane unit, accompanied by gold carbene induced vinylogous nucleophilic addition.
Synthesis of Anilides by Aminolysis of Unactivated Esters using MnCl2 in Combination with strong Bases as Catalyst
Authors: Niggli Nadja E. , Vollgraff Tobias , Winter Christian , Slavcheva Petkova Desislava , Benson Stefan , Götz Roland , Hashmi A. Stephen K. , Schaub Thomas 
Published: May 2023

AbstractAnilides are often found in pharmaceuticals and active ingredients in crop protection. Although of great interest, the atom‐ and step economic formation of the amide bond between a less nucleophilic aniline with an acid or ester remains still a major challenge. Herein, we report an aminolysis of aromatic and alkyl esters with anilines catalyzed by a readily available catalytic system comprising of an earth‐abundant Mn‐salt in combination with an inexpensive base.
Dynamical Stability and Physical Properties of Fe Dihalide Nanowires
Authors: Mejía‐López José , López‐Moreno Sinhué , Mazo‐Zuluaga Johann , Romero‐Vázquez Pricila Betbirai , Morán‐López José Luis 
Published: May 2023

AbstractAn extensive first‐principles and atomistic Monte Carlo study on isolated Fe ( = F, Cl, Br, I) nanowires is presented. The structural properties of the Fe chains are determined and compared with their bulk structures. The results indicate that in the lowest energy configuration, the wires crystalize in a system that belongs to the space group (No. 131, Z = 2, point group ), with antiferromagnetic arrangement. The stability is determined by calculating the phonon frequencies in the whole Brillouin zone within the supercell approach. The relative stability of the periodic chains is also determined by calculating the elastic properties and comparing them with bulk cases. The band structure, the density of states, the magnetic properties, the anisotropy energy, and topological analysis, performed with the Quantum Theory of Atoms in Molecules approach, are also reported and discussed. The results support the idea that these Fe nanowire systems are promising materials for practical applications, like lithium‐ion batteries.
Targeting L‐Selectin Lymphocytes to Deliver Immunosuppressive Drug in Lymph Nodes for Durable Multiple Sclerosis Treatment
Authors: Zhao Yipeng , Zhang Jie , Cheng Xi , Huang Wenping , Shen Shishi , Wu Shilin , Huang Yiying , Nie Guangjun , Wang Hai , Qiu Wei 
Published: May 2023

AbstractInflammation induced by autoreactive CD4+ T lymphocytes is a major factor in the pathogenesis of multiple sclerosis (MS). Immunosuppressive drugs, such as FTY720, are subsequently developed to prevent the migration of CD4+ T lymphocytes to the central nervous system (CNS). However, these immunosuppressive drugs have limited accumulation in lymph nodes (LNs), resulting in poor efficacy. Here, this work develops a nanoplatform for delivering immunosuppressive drugs to LNs for durable MS treatment. Human CD47 peptide and L‐selectin targeting aptamer are modified on the nanoparticles encapsulated with FTY720 (clnFTY) for self‐passivation and the targeting of L‐selectin on lymphocytes, a homing receptor for T‐cells entering LNs. Using this natural process, clnFTY nanoparticles efficiently deliver FTY720 to LNs and delay disease progression in experimental autoimmune encephalomyelitis (EAE) mice following a single dose treatment over a 42‐day observational period. Considering the daily dosing requirement of FTY720, this strategy greatly improves its therapeutic efficiency. The ability of clnFTY nanoparticles to target lymphocytes, reduce sphingosine‐1‐phosphate receptor 1 (S1PR1) expression, and suppress inflammatory cytokines release are demonstrated in clinical blood samples from MS patients. Taken together, this study demonstrates that targeted LNs delivery may greatly extend the treatment cycle of immunosuppressive drugs for durable MS treatment.
Polyethylene Incorporating Diels–Alder Comonomers: A “Trojan Horse” Strategy for Chemically Recyclable Polyolefins
Authors: Parke Sarah M. , Lopez Jaqueline C. , Cui Shilin , LaPointe Anne M. , Coates Geoffrey W. 
Published: May 2023

AbstractPolyolefins with periodic unsaturation in the backbone chain are sought after for synthesizing chemically recyclable polymers or telechelic polyolefin macromonomers. Here we introduce a bottom‐up synthesis of unsaturated high‐density polyethylene (HDPE) via copolymerization of ethylene with dimethyl 7‐oxabicyclo[2.2.1]hepta‐2,5‐diene‐3,5‐dicarboxylate followed by post‐polymerization retro‐Diels–Alder to unveil hidden double bonds in the polymer backbone. The incorporation of this “Trojan Horse” comonomer was varied and a series of unsaturated HDPE polymers with block lengths of 1.2, 1.9, and 3.5 kDa between double bonds was synthesized. Cross metathesis of unsaturated HDPE samples with 2‐hydroxyethyl acrylate yielded telechelic ester terminated PE macromonomers suitable for the preparation of ester‐linked PE. These materials were depolymerized and repolymerized, making them suitable candidates for chemical recycling. The ester‐linked PE displayed thermal and mechanical properties comparable to commercial HDPE.
Boosting Hydrogen Peroxide Electrosynthesis via Modulating the Interfacial Hydrogen‐Bond Environment
Authors: Fang Yushuang , Fan Yu , Xie Kunchi , Ge Wangxin , Zhu Yihua , Qi Zhiwen , Song Zhen , Jiang Hongliang , Li Chunzhong 
Published: May 2023

AbstractDesigning highly efficient and stable electrode‐electrolyte interface for hydrogen peroxide (H2O2) electrosynthesis remains challenging. Inhibiting the competitive side reaction, 4 e− oxygen reduction to H2O, is essential for highly selective H2O2 electrosynthesis. Instead of hindering excessive hydrogenation of H2O2 via catalyst modification, we discover that adding a hydrogen‐bond acceptor, dimethyl sulfoxide (DMSO), to the KOH electrolyte enables simultaneous improvement of the selectivity and activity of H2O2 electrosynthesis. Spectral characterization and molecular simulation confirm that the formation of hydrogen bonds between DMSO and water molecules at the electrode‐electrolyte interface can reduce the activity of water dissociation into active H* species. The suitable H* supply environment hinders excessive hydrogenation of the oxygen reduction reaction (ORR), thus improving the selectivity of 2 e− ORR and achieving over 90 % selectivity of H2O2. This work highlights the importance of regulating the interfacial hydrogen‐bond environment by organic molecules as a means of boosting electrochemical performance in aqueous electrosynthesis and beyond.
Multistate Aggregation‐Induced Chiroptical Properties of Enantiopure Disulfide‐Mediated Bispyrene Macrocycles
Authors: Zhang Ke‐Feng , Saleh Nidal , Swierczewski Michal , Rosspeintner Arnulf , Zinna Francesco , Pescitelli Gennaro , Besnard Céline , Guénée Laure , Bürgi Thomas , Lacour Jérôme 
Published: May 2023

AbstractA chiral bispyrene macrocycle designed for exclusive intermolecular excimer fluorescence upon aggregation was synthesized by a double hydrothiolation of a bis‐enol ether macrocycle followed by intramolecular oxidation of free thiols. Unusually high stereoselectivity was achieved for the thiol‐ene additions under templated conditions and Et3B/O2 radical initiation. After enantiomer separation (chiral stationary phase HPLC), aqueous conditions provoked aggregation. Detailed structural evolution was afforded by ECD/CPL monitoring. Three regimes can be observed and characterized by strong modifications in chiroptical patterns under, at, or above a 70 % H2O : THF threshold. In luminescence, high glum dissymmetry factors values were obtained, up to 0.022, as well as a double sign inversion of CPL signals during the aggregation, a behavior rationalized by time‐dependent density functional theory (TDDFT) calculations. Langmuir layers of enantiopure disulfide macrocycles were formed at the air–water interface and transferred onto solid substrates to afford Langmuir–Blodgett films, which were then studied by AFM and UV/ECD/fluorescence/CPL.
The development of a low‐cost, sustainable bamboo‐based flexible bio composite for impact sensing and mechanical energy harvesting applications
Authors: Kulkarni Nikhil Dilip , Saha Abir , Kumari Poonam 
Published: May 2023

AbstractAn increasing trend in creating materials with a greater extent of sustainability from an ecological and financial perspective involves usage of bio resources and industrial residues. In this paper, leftover bamboo micro particles (BMP) from bamboo factories were collected and used as fillers with polyvinylidene fluoride (PVDF) matrix in varying concentrations (1, 3, 5, 7, and 9 wt.%) to fabricate low‐cost composite films using solvent casting route for mechanical energy harvesting purpose. Out of the prepared samples, PVDF with 5 wt.% BMP showed maximum electroactive phase content (82%), tensile strength (34.23 MPa), and piezoelectric voltage (6.5 V) among the untreated samples. PVDF with 5 wt.% BMP is then subjected to NaOH treatment for further enhancement in overall performance. PVDF with 5 wt.% treated BMP also showed 467% increment in output voltage and 235% increment in output current as compared to pure PVDF. The piezoelectric output voltage of PVDF with 5 wt.% treated BMP is then measured under impact loading conditions to determine its suitability as an impact sensor. A bamboo‐based piezoelectric impact sensor that is highly sensitive and cost‐effective opens enormous possibilities for sustainability and circular economies.
Die Neue Friesenbrücke bei Weener – Entwurf der größten Hub‐Drehbrücke Europas
Authors: Schacht Gregor , Kögel Jens , Schwede Stefan , Heinemann Alexander , Haase Georg 
Published: May 2023

AbstractIm Dezember 2015 wurde die historische Friesenbrücke durch einen Schiffsanprall zerstört. Dabei wurde der bewegliche Brückenteil, eine Scherzer‐Klappbrücke, so stark beschädigt, dass eine Instandsetzung wirtschaftlich nicht mehr möglich war. Die DB Netz AG hat die ARGE Friesenbrücke damit beauftragt, verschiedene Varianten eines 1:1‐Ersatzes und einer Erneuerung der Brücke zu untersuchen. Unter Beachtung aller Randbedingungen fiel die Wahl auf die Erneuerung der Friesenbrücke als Hub‐Drehbrücke mit einer Spannweite von ca. 143 m. Die Friesenbrücke hat eine Gesamtlänge von 337 m und überführt die eingleisige Strecke von Ihrhove nach Nieuweschans (NL). Die neue Hub‐Drehbrücke ermöglicht eine lichte Schifffahrtsöffnung von 56,60 m. Neben den Anforderungen an einen sicheren Eisenbahnbetrieb auf einer eingleisigen Strecke mit Anbindung an das Netz der niederländischen Eisenbahninfrastruktur im Zuge der Ausbaubestrebungen in Richtung Groningen waren bei der Neuplanung insbesondere die Gegebenheiten zu berücksichtigen, welche sich zusätzlich aus den Anforderungen der Wasserstraße aus der Einhaltung der Sicherheit und Leichtigkeit des Schiffsverkehrs ergeben. Die schwierigen Baugrund‐ und Wasserbedingungen auf der tideabhängigen Seeschifffahrtsstraße erfordern zum Teil aufwendige Baubehelfe, Sicherungsmaßnahmen und große Flusspfeiler.
Successful treatment of systemic AL amyloidosis with autologous hematopoietic stem cell transplantation combined with cell‐free and concentrated ascites reinfusion therapy
Authors: Oka Satoko , Ono Kazuo 
Published: May 2023

Key Clinical MessageAL patients develop the unique toxicities of fluid retention and non‐cardiogenic pulmonary edema during the course of stem cell mobilization. We propose mobilization with CART as effective and safe treatment for AL patients with refractory anasarca.AbstractWe describe a 63‐year‐old male with systemic immunoglobulin light chain (AL) amyloidosis with cardiac, renal, and liver involvement. After four courses of CyBorD, mobilization with G‐CSF at 10 μg/kg was initiated and CART was simultaneously performed for fluid retention. No adverse events were observed during collection or reinfusion. Anasarca gradually disappeared and he underwent autologous hematopoietic stem cell transplantation. The complete remission of AL amyloidosis has been maintained, and the condition of the patient has remained stable for 7 years. We propose mobilization with CART as an effective and safe treatment option for AL patients with refractory anasarca.
Simultaneously Incorporating Atomically Dispersed Co‐Nx Sites with Graphitic Carbon Layer‐Wrapped Co9S8 Nanoparticles for Oxygen Reduction in Acidic Electrolyte
Authors: Wu Jun , Gong Mengjun , Zhang Wuyi , Mehmood Asad , Zhang Jinfeng , Ali Ghulam , Kucernak Anthony 
Published: May 2023

AbstractA facile yet robust synthesis is reported herein to simultaneously incorporate atomically dispersed Co‐Nx sites with graphitic layer‐protected Co9S8 nanoparticles (denoted as Co SACs+Co9S8) as an efficient electrocatalyst for oxygen reduction in acidic solution. The Co SACs+Co9S8 catalyst shows low H2O2 selectivity (∼5 %) with high half‐wave potential (E1/2) of ∼0.78 VRHE in 0.5 M H2SO4. The atomic sites of the catalyst were quantified by a nitrite stripping method and the corresponding site density of the catalyst is calculated to be 3.2×1018 sites g−1. Besides, we also found the presence of a reasonable amount of Co9S8 nanoparticles is beneficial for the oxygen electrocatalysis. Finally, the catalyst was assembled into a membrane electrode assembly (MEA) for evaluating its performance under more practical conditions in proton exchange membrane fuel cell (PEMFC) system.
Bora‐alkenes: Metal Coordination and Reactions with BH‐boranes
Authors: Chen Chaohuang , Daniliuc Constantin G. , Kehr Gerald , Erker Gerhard 
Published: May 2023

AbstractThe neutral N‐heterocyclic carbene stabilized bora‐alkene1, conveniently prepared by a BH borenium/hydroboration route, forms stable copper, gold or palladium π‐complexes. The polar bora‐alkene B=C system undergoes regioselective hydroboration reactions with the (C6F5)2BH or C6F5BH2 ⋅ SMe2boranes. The latter reaction involves a subsequent rearrangement that leads to internal hydride vs. isothiocyanate substituent exchange at the borane pair.
Carborane‐Based Tebufelone Analogs and Their Biological Evaluation In Vitro
Authors: Braun Sebastian , Paskaš Svetlana , Laube Markus , George Sven , Hofmann Bettina , Lönnecke Peter , Steinhilber Dieter , Pietzsch Jens , Mijatović Sanja , Maksimović‐Ivanić Danijela , Hey‐Hawkins Evamarie 
Published: May 2023

AbstractThe presence of inflammatory mediators in the tumor microenvironment, such as cytokines, growth factors or eicosanoids, indicate cancer‐related inflammatory processes. Targeting these inflammatory mediators and related signal pathways may offer a rational strategy for the treatment of cancer. This study focuses on the incorporation of metabolically stable, sterically demanding, and hydrophobic dicarba‐closo‐dodecaboranes (carboranes) into dual cyclooxygenase‐2 (COX‐2)/5‐lipoxygenase (5‐LO) inhibitors that are key enzymes in the biosynthesis of eicosanoids. The di‐tert‐butylphenol derivative tebufelone represents a selective dual COX‐2/5‐LO inhibitor. The incorporation of meta‐ or para‐carborane into the tebufelone scaffold resulted in eight carborane‐based tebufelone analogs that show no COX inhibition but 5‐LO inhibitory activity in vitro. Cell viability studies on HT29 colon adenocarcinoma cells revealed that the observed antiproliferative effect of the para‐carborane analogs of tebufelone is enhanced by structural modifications that include chain elongation in combination with introduction of a methylene spacer resulting in higher anticancer activity compared to tebufelone. Hence, this strategy proved to be a promising approach to design potent 5‐LO inhibitors with potential application as cytostatic agents.
Drug–Drug Cocrystals: A Promising Approach to Overcome Barriers in Pain Management
Authors: Saindane Rupesh A. , Thombre Nilima A. 
Published: May 2023

AbstractPain is one of the critical health issues in the world. While almost everyone experiences acute pain at some point, around 27.5% of the population suffer from its more persistent and chronic form. The current medication regimen is yet to meet expectations and provides suboptimal treatment. Cocrystals are solid forms in which two or more chemically distinct molecules are present in a single crystal lattice. Co‐crystallization offers solutions to the limitations of many drugs in pain treatment. Drug–drug cocrystals (DDC) improve the physicochemical properties of their components and offer a chance to use the synergistic effects of multimodal therapy. DDC have been widely investigated in the field of pain management. Literature on DDC reports improvement in physicochemical properties such as hygroscopicity, solubility, bioavailability, stability, and compressibility. DDC have attracted many researchers, and as a result, a drug product containing cocrystals of tramadol hydrochloride and celecoxib has been successfully commercialized in the United States. Further, one more multidrug cocrystal for pain management has entered advanced clinical trials. This review discusses the applications of DDC in pain management.
‘Snake Oil’ or ‘Viper Lipid'? How to Get the Most Out of Your Biostimulant
Authors: Sible Connor , Below Fred 
Published: May 2023

AbstractBiostimulants have much variation in the types of products that fit this group of crop inputs as well as variability within their respective categories. These differences induce many challenges in consistency of product performance and thus skepticism to the class of inputs as a whole. With so many products available on the market, it is challenging to know if these products were developed with adequate science and research or tossed together quickly to take advantage of the momentum this sector currently has. In the latter case, these products are often referred to as “snake oil”; while in the former case, the products could be referred to as “viper lipid” with a place to increase yield or return on investment. Only with a proper understanding of how a product works can a producer then properly place and use it to optimize crop performance, and as importantly, know when not to use it. Earn 1 CEU in Nutrient Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Sustainable energy generation – Scenario development for Pakistan in the context of WWF's 2050 vision
Authors: Shah Salman , Aized Tauseef , Sumair Muhammad , Rehman Syed Muhammad Sohail 
Published: May 2023

AbstractPakistan is fighting a long‐standing energy crisis with an unbalanced, fossil‐fuel dominated energy mix mired with climatic catastrophes. World Wide Fund for Nature (WWF), in its fight against climate change, has proposed a global energy model that illustrates a shift to renewable energy completely by the year 2050. In this study, we have scaled down that energy model for Pakistan to demonstrate country level implementation of WWF's vision. Scenario‐based energy model of Pakistan is developed in this research using LEAP Software. Four scenarios namely, Business‐As‐Usual (BAU), Alternative and Renewable Energy (ARE), Green Energy (GE) and Advanced Sustainable Energy (ASE) are developed. The BAU scenario is based on government's existing policies and plans, and ASE scenario shows the crux of WWF's Global vision on Pakistan's scale. ARE and GE are intermediate scenarios reflecting a transition from BAU to ASE. Simulation results demonstrated the demand in ASE is halved as compared to BAU and its energy mix is homogeneous and completely renewable. In conclusion, ASE gave country‐level insights into WWF's vision towards the ways to contend climate change. This work inspires country‐scale modeling of WWF's vision for other countries as well.
Ravages: An R package for the simulation and analysis of rare variants in multicategory phenotypes
Authors: Bocher Ozvan , Marenne Gaëlle , Génin Emmanuelle , Perdry Hervé 
Published: May 2023

AbstractCurrent software packages for the analysis and the simulations of rare variants are only available for binary and continuous traits. Ravages provides solutions in a single R package to perform rare variant association tests for multicategory, binary and continuous phenotypes, to simulate datasets under different scenarios and to compute statistical power. Association tests can be run in the whole genome thanks to C++ implementation of most of the functions, using either RAVA‐FIRST, a recently developed strategy to filter and analyse genome‐wide rare variants, or user‐defined candidate regions. Ravages also includes a simulation module that generates genetic data for cases who can be stratified into several subgroups and for controls. Through comparisons with existing programmes, we show that Ravages complements existing tools and will be useful to study the genetic architecture of complex diseases. Ravages is available on the CRAN at https://cran.r-project.org/web/packages/Ravages/ and maintained on Github at https://github.com/genostats/Ravages.
Fundamental Physics with the Thermodynamically Stable Diatomic Trication UF3+
Authors: Zülch Carsten , Gaul Konstantin , Berger Robert 
Published: May 2023

AbstractHighly‐charged UF3+, established by Helmut Schwarz and colleagues as the first thermodynamically stable diatomic trication, is investigated theoretically as a messenger for violations of fundamental symmetries, complementing the neutral, isoelectronic ThO, which experimentally gave one of the tightest bounds on violation of parity and time‐reversal symmetry. Electronic levels of UF3+ are analysed in comparison to the isoelectronic ions PaF2+ and ThF+. Non‐relativistic complete active space self‐consistent field calculations with scalar‐relativistic effective core potentials and a state‐optimized all‐electron two‐component complex Generalized Hartree‐Fock approach are employed to determine electronic states and properties relevant for tests of fundamental physics with these systems.