bluuebunny/crossref_metadata_2025_split huggingface dataset:
α’‐Selective Selenium‐catalyzed Allylic C−H Amination of Enol Derivatives
Authors: Dohoda Alexander F. , Rishwain Nicole , Tran Y‐Nhi , Michael Forrest E. 
Published: July 2024

AbstractA transition metal‐free Se‐catalyzed C−H amination protocol for α’‐amination of enol derivatives has been developed. This reaction can be used to functionalize a wide variety of oxygen‐ and halogen‐substituted alkenes spanning a vast range of nucleophilicities, giving α’‐aminated enol derivatives with high regioselectivity. Amination of E/Z mixtures of alkenes proceeds stereoconvergently to give the (Z)‐enol derivatives exclusively. Mechanistic studies revealed that the relative reactivity and α’‐regioselectivity of these transformations is determined by substantial resonance donation to the heteroatom‐bound carbon in the transition state. These products participate in traditional reactions of enol derivatives, allowing for efficient functionalization of both α‐ and α’‐positions from a single enol derivative with high diastereocontrol.
Stereoselective C−B and C−H Bonds Functionalization of PolyBorylated Alkenes
Authors: Vaishanv Narendra K. , Eghbarieh Nadim , Jagtap Rahul A. , Gose Anthony E. , Haines Brandon E. , Masarwa Ahmad 
Published: July 2024

AbstractAlkenes are fundamental functional groups which feature in various materials and bioactive molecules; however, efficient divergent strategies for their stereodefined synthesis are difficult. In this regard, numerous synthetic methodologies have been developed to construct carbon–carbon bonds with regio‐ and stereoselectivity, enabling the predictable and efficient synthesis of stereodefined alkenes. In fact, an appealing alternative approach for accessing challenging stereodefined alkene molecular frameworks could involve the sequential selective activation and cross‐coupling of strong bonds instead of conventional C−C bond formation. In this study, we introduce a series of programmed site‐ and stereoselective strategies that capitalizes on the versatile reactivity of readily accessible polymetalloid alkenes (i.e. polyborylated alkenes), through a tandem cross‐coupling reaction, which is catalyzed by an organometallic Rh‐complex to produce complex molecular scaffolds. By merging selective C−B and remote C−H bond functionalization, we achieve the in situ generation of polyfunctional C(sp2)‐nucleophilic intermediates. These species can be further modified by selective coupling reactions with various C‐based electrophiles, enabling the formation of C(sp2)−C(sp3) bond for the generation of even more complex molecular architectures using the readily available starting polyborylated‐alkenes. Mechanistic and computational studies provide insight into the origins of the stereoselectivities and C−H activation via a 1,4‐Rh migration process.
Dissociative Electron Attachment Dynamics of a Promising Cancer Drug Indicates Its Radiosensitizing Potential
Authors: Izadi Farhad , Luxford Thomas F. M. , Sedmidubská Barbora , Arthur‐Baidoo Eugene , Kočišek Jaroslav , Ončák Milan , Denifl Stephan 
Published: July 2024

Abstract2‐Bromo‐1‐(3,3‐dinitroazetidin‐1‐yl)ethan‐1‐one (RRx‐001) is a hypoxic cell chemotherapeutics with already demonstrated synergism in combined chemo‐radiation therapy. The interaction of the compound with secondary low‐energy electrons formed in large amounts during the physico‐chemical phase of the irradiation may lead to these synergistic effects. The present study focuses on the first step of RRx‐001 interaction with low‐energy electrons in which a transient anion is formed and fragmented. Combination of two experiments allows us to disentangle the decay of the RRx‐001 anion on different timescales. Sole presence of the electron initiates rapid dissociation of NO2 and HNO2 neutrals while NO2− and Br− anions are produced both directly and via intermediate complexes. Based on our quantum chemical calculations, we propose that bidirectional state switching between π*(NO2) and σ*(C−Br) states explains the experimental spectra. The fast dynamics monitored will impact the condensed phase chemistry of the anion as well.
A Strep‐Tag Imprinted Polymer Platform for Heterogenous Bio(electro)catalysis
Authors: Yarman Aysu , Waffo Armel F. T. , Katz Sagie , Bernitzky Cornelius , Kovács Norbert , Borrero Paloma , Frielingsdorf Stefan , Supala Eszter , Dragelj Jovan , Kurbanoglu Sevinc , Neumann Bettina , Lenz Oliver , Mroginski Maria Andrea , Gyurcsányi Róbert E. , Wollenberger Ulla , Scheller Frieder W. , Caserta Giorgio , Zebger Ingo 
Published: July 2024

AbstractMolecularly imprinted polymers (MIPs) are artificial receptors equipped with selective recognition sites for target molecules. One of the most promising strategies for protein MIPs relies on the exploitation of short surface‐exposed protein fragments, termed epitopes, as templates to imprint binding sites in a polymer scaffold for a desired protein. However, the lack of high‐resolution structural data of flexible surface‐exposed regions challenges the selection of suitable epitopes. Here, we addressed this drawback by developing a polyscopoletin‐based MIP that recognizes recombinant proteins via imprinting of the widely used Strep‐tag II affinity peptide (Strep‐MIP). Electrochemistry, surface‐sensitive IR spectroscopy, and molecular dynamics simulations were employed to ensure an utmost control of the Strep‐MIP electrosynthesis. The functionality of this novel platform was verified with two Strep‐tagged enzymes: an O2‐tolerant [NiFe]‐hydrogenase, and an alkaline phosphatase. The enzymes preserved their biocatalytic activities after multiple utilization confirming the efficiency of Strep‐MIP as a general biocompatible platform to confine recombinant proteins for exploitation in biotechnology.
Stabilization of Short‐ and Long‐Range Magnetic Ordering through the Cooperative Effect of 1D [CuO4]∞ Chains and [CuO2X2] Quadrilateral in Quasi‐1D Spin‐1/2 Systems
Authors: Guo Ruixin , Si Rutong , Li Zhaoyi , Lin Weijie , Wen Bo , Gebauer Ralph , Guo Shu 
Published: July 2024

AbstractQuasi‐1D chain antiferromagnets with reduced structural dimensionality are a rich playground for investigating novel quantum phenomena. We report the synthesis, crystal structure, and magnetism of two novel quasi‐1D antiferromagnets, β‐PbCu2(TeO3)2Cl2 (I) and PbCu2(TeO3)2Br2 (II). Their magnetic frameworks are constructed via Cu‐based quasi‐1D [Cu(2)O4]∞ zigzag chains with square‐planar [Cu(1)O2X2] (X=Cl or Br) separated among 1D chains. Specific heat measurements show λ peaks at ~9 K and ~19 K for I and II, respectively. Moreover, both broad maximums (χmax=90 K for I and 80 K for II) and small kinks (TN≈9 K for I and 19 K for II) have been observed in magnetic susceptibility measurements of I and II. Bonner–Fisher model fitting, and theoretical analyses were performed to evaluate the magnetic exchange interactions. Our experimental and theoretical results and structure‐properties relationship analysis reveal the coexistence of short‐ and long‐range magnetic ordering from the cooperative effect of 1D [CuO4]∞ chains and [CuO2X2] quadrilateral.
Highly Reversible Sodium‐ion Storage in A Bifunctional Nanoreactor Based on Single‐atom Mn Supported on N‐doped Carbon over MoS2 Nanosheets
Authors: Sui Simi , Xie Haonan , Chen Biao , Wang Tianshuai , Qi Zijia , Wang Jingyi , Sha Junwei , Liu Enzuo , Zhu Shan , Lei Kaixiang , Zheng Shijian , Zhou Guangmin , He Chunnian , Hu Wenbin , He Fang , Zhao Naiqin 
Published: July 2024

AbstractConversion‐type electrode materials have gained massive research attention in sodium‐ion batteries (SIBs), but their limited reversibility hampers practical use. Herein, we report a bifunctional nanoreactor to boost highly reversible sodium‐ion storage, wherein a record‐high reversible degree of 85.65 % is achieved for MoS2 anodes. Composed of nitrogen‐doped carbon‐supported single atom Mn (NC‐SAMn), this bifunctional nanoreactor concurrently confines active materials spatially and catalyzes reaction kinetics. In situ/ex situ characterizations including spectroscopy, microscopy, and electrochemistry, combined with theoretical simulations containing density functional theory and molecular dynamics, confirm that the NC‐SAMn nanoreactors facilitate the electron/ion transfer, promote the distribution and interconnection of discharging products (Na2S/Mo), and reduce the Na2S decomposition barrier. As a result, the nanoreactor‐promoted MoS2 anodes exhibit ultra‐stable cycling with a capacity retention of 99.86 % after 200 cycles in the full cell. This work demonstrates the superiority of bifunctional nanoreactors with two‐dimensional confined and catalytic effects, providing a feasible approach to improve the reversibility for a wide range of conversion‐type electrode materials, thereby enhancing the application potential for long‐cycled SIBs.
Life cycle assessment of Luffa‐reinforced epoxy composites: Untreated versus chemically treated fibers
Authors: Anastasiou Dimitrios E. 
Published: July 2024

AbstractThis research conducts a comprehensive cradle‐to‐gate life cycle assessment, comparing four distinct epoxy composites with each other and with the pure matrix. The composites investigated include epoxy resin reinforced with 25% and 50% untreated Luffa cylindrica fiber mats and 25% and 50% chemically treated Luffa cylindrica mats. The study defines the functional unit concerning the load at the fracture point and explores a real‐world scenario related to a potential industrial installation in southeastern Europe. The assessment utilizes 22 ReCiPe 2016 endpoint indicators to quantify impacts on human health, ecosystems, and resource availability. The findings indicate that the 50% chemically treated Luffa cylindrica‐reinforced epoxy has the least environmental impact, closely followed by the 50% untreated Luffa cylindrica. All four composites exhibit lower impacts than the pure epoxy resin. Notably, the 50% Luffa‐reinforced composites stand out as significantly environmentally favorable due to the substitution of fossil‐derived resin with natural fibers. This study underscores the potential of Luffa cylindrica as a promising and eco‐friendly reinforcement for epoxy composites.
Tribological properties of dimensionally stable and high strength Kevlar polyimide composite aerogels
Authors: Mu Bo , Li Yun'an , Du Kang , Dai Xiaoqin , Tian Li , Guo Junhong , Yang Baoping , Cui Jinfeng , Bao Xuemei 
Published: July 2024

AbstractDimensionally stable and high strength Polyimide(PI)/nKevlar composite aerogels are fabricated by the inclusion of nano Kevlar fibers with PI precursor polyamide acid via solution mixing and subsequent vacuum drying. The rigid macromolecular structure of nKevlars and the intermolecular hydrogen bonding result in lower shrinkage/density and larger porosity. The PI/nKevlar composite aerogels demonstrate a 23.4% reduction in the linear shrinkage. Compared with pure polyimide aerogel, the friction coefficient and wear rate of composite aerogel decreased significantly, with the dry friction wear rate of the PI/nKevlar‐1.0 reduced by 34.14% and the friction coefficient of the oil‐containing aerogel reduced by 28.29% ascribing to the increased loading bearing of the composite.
Synthesis of a syringaldehyde derivative to enhance the fire resistance and structural strength of epoxy resin
Authors: Chen Zhengpeng , He Xin , Cao Zhengshuai , Li Yunfan , Chen Denglong , Yang Zhiwang , Lei Ziqiang 
Published: July 2024

AbstractIn light of growing environmental apprehensions, the threat of global warming, and the depletion of oil reserves, it is advisable to opt for bio‐epoxy resins sourced from sustainable materials. In response to these issues, syringaldehyde (SH) flame retardant epoxy resin derivatives have been formulated and synthesized. Initially, SH was reacted with 4, 4‐diaminodiphenylmethane (DDM) to yield an intermediate compound, DDM‐SH. Subsequently, the inherently flame‐retardant curing agent (DDM‐SH‐DOPO) and the bio‐based epoxy monomer (DDM‐SH‐EP) were produced by reacting with DOPO and epichlorohydrin, respectively. These resulting compounds were then integrated into bisphenol A epoxy resin, enhancing its flame retardant and mechanical characteristics. The flammability was assessed through limiting oxygen index (LOI), UL‐94, and cone calorimeter tests. The DDM‐SH‐EP‐20/5 sample exhibits notable improvements. It elevates the LOI to 25.3%, achieving a UL‐94 rating to V‐0 and effectively reducing smoke and heat release from the epoxy resin. The ternary cross‐linking network formed between DGEBA, DDM‐SH‐EP, and DDM‐SH‐DOPO primarily contributes to this mechanical enhancement, DDM‐SH‐EP‐20/5 has excellent overall performance, bending strength and bending modulus are 103% and 108% higher than DGEBA/DDM. This study offers a viable solution for producing flame‐retardant epoxy resin with superior mechanical properties.
A hydrologic and land cover‐based habitat model for use in bog turtle (Glyptemys muhlenbergii) conservation
Authors: Feaga Jeffrey B. , Barron Joseph C. , Brooks George C. , Frimpong Emmanuel A. , Haas Carola A. , Holden Michael T. , Hultin Emma A. 
Published: July 2024

Abstract

The endangered bog turtle (Glyptemys muhlenbergii) exemplifies issues related to rare species conservation; presence surveys have low detection and variables used in habitat models can lack relevance to established biological relationships of the species to its environment. The species' use of groundwater saturated soils and stream networks as core habitat and dispersal corridors has been documented. Less is known about the landscape factors that promote the formation and persistence of wetlands used for core habitat.
A GIS‐based resource selection function was developed to predict bog turtle habitat use. Trained on 1 ha plots centred on occupied sites and pseudo‐absent plots constrained to areas within 56.4 m to stream network centrelines, the model tested the capacity of a topographic wetness index (TWI), stream order and soil, wetland and land cover type to predict the presence of suitable habitat and turtle occupancy. Landscape variables were sampled at 10 m resolution, but variable selection and model performance were analysed at 100 m resolution to maintain a biologically relevant 1 ha habitat scale and accommodate the resolution of other variables.
Suitable habitat and turtle presence were best predicted by intermediate to high values of TWI, land cover with low vegetation height and wetlands, second‐ and third‐order streams and the occurrence of mapped National Wetland Inventory polygons and hydric soils. Very high values of TWI were negatively associated with habitat suitability. The area under the curve of the best model was 0.833.
Suitable habitat was found on 88% of 55 independent sites selected using the model and nine new occupied sites were confirmed. Model error is discussed with consideration of human‐altered drainage networks on the agricultural landscape.
2023 American College of Rheumatology (ACR)/American College of Chest Physicians (CHEST) Guideline for the Treatment of Interstitial Lung Disease in People with Systemic Autoimmune Rheumatic Diseases
Authors: Johnson Sindhu R. , Bernstein Elana J. , Bolster Marcy B. , Chung Jonathan H. , Danoff Sonye K. , George Michael D. , Khanna Dinesh , Guyatt Gordon , Mirza Reza D. , Aggarwal Rohit , Allen Aberdeen , Assassi Shervin , Buckley Lenore , Chami Hassan A. , Corwin Douglas S. , Dellaripa Paul F. , Domsic Robyn T. , Doyle Tracy J. , Falardeau Catherine Marie , Frech Tracy M. , Gibbons Fiona K. , Hinchcliff Monique , Johnson Cheilonda , Kanne Jeffrey P. , Kim John S. , Lim Sian Yik , Matson Scott , McMahan Zsuzsanna H. , Merck Samantha J. , Nesbitt Kiana , Scholand Mary Beth , Shapiro Lee , Sharkey Christine D. , Summer Ross , Varga John , Warrier Anil , Agarwal Sandeep K. , Antin‐Ozerkis Danielle , Bemiss Bradford , Chowdhary Vaidehi , Dematte D'Amico Jane E. , Hallowell Robert , Hinze Alicia M. , Injean Patil A. , Jiwrajka Nikhil , Joerns Elena K. , Lee Joyce S. , Makol Ashima , McDermott Gregory C. , Natalini Jake G. , Oldham Justin M. , Saygin Didem , Lakin Kimberly Showalter , Singh Namrata , Solomon Joshua J. , Sparks Jeffrey A. , Turgunbaev Marat , Vaseer Samera , Turner Amy , Uhl Stacey , Ivlev Ilya 
Published: July 2024

ObjectiveWe provide evidence‐based recommendations regarding the treatment of interstitial lung disease (ILD) in adults with systemic autoimmune rheumatic diseases (SARDs).MethodsWe developed clinically relevant population, intervention, comparator, and outcomes questions. A systematic literature review was then performed, and the available evidence was rated using the Grading of Recommendations, Assessment, Development, and Evaluation methodology. A panel of clinicians and patients reached consensus on the direction and strength of the recommendations.ResultsThirty‐five recommendations were generated (including two strong recommendations) for first‐line SARD‐ILD treatment, treatment of SARD‐ILD progression despite first‐line ILD therapy, and treatment of rapidly progressive ILD. The strong recommendations were against using glucocorticoids in systemic sclerosis–ILD as a first‐line ILD therapy and after ILD progression. Otherwise, glucocorticoids are conditionally recommended for first‐line ILD treatment in all other SARDs.ConclusionThis clinical practice guideline presents the first recommendations endorsed by the American College of Rheumatology and American College of Chest Physicians for the treatment of ILD in people with SARDs.
Suction use in ureterorenoscopy: A systematic review and meta‐analysis of comparative studies
Authors: Tzelves Lazaros , Geraghty Robert , Juliebø‐Jones Patrick , Yuan Yuhong , Kapriniotis Konstantinos , Castellani Daniele , Gauhar Vineet , Skolarikos Andreas , Somani Bhaskar 
Published: July 2024

AbstractObjectivesUreterorenoscopy is seeing a bloom of technological advances, one of which is incorporating suction. The objective of this study is to systematically review existing literature regarding suction use in rigid and flexible ureterorenoscopy and perform meta‐analysis of studies comparing suction versus no suction ureteroscopy or mini percutaneous nephrolithotomy (PCNL).MethodsA literature search was performed (November 2023) in MEDLINE, Embase and Cochrane CENTRAL. Study protocol was registered at PROSPERO (CRD42023482360). Comparative studies (observational and randomized) were eligible for inclusion if they compared suction versus no suction group and reported at least one primary outcome of interest (stone‐free or complication rate).ResultsSixteen studies (5 randomized and 11 observational), analysing 1086 and 1109 patients in standard and suction groups, respectively, were included. Final stone‐free rates (SFRs), overall and infectious complications and length of hospital stay exhibited significant improvement when suction was used. When mini‐PCNL was compared with flexible ureterorenoscopy with suction, no differences were found in terms of stone‐free and infectious complications rates.ConclusionsUreterorenoscopy is a commonly performed endoscopic procedure for urolithiasis treatment, the success of which is defined by SFRs and complication rates. Application of suction via ureteral access sheaths, ureteral catheters or scopes may provide improved SFRs, reduced overall and infectious complication rates, along with a reduction in length of hospital stay. Further randomized studies are needed to validate these findings and standardize indications and protocols.
Revisiting the impact of genomic hot spots: C12orf35 locus as a hot spot and engineering target
Authors: Cho Kyuhee , Lee Jae Seong 
Published: July 2024

AbstractTraditional Chinese hamster ovary (CHO) cell line development is based on random integration (RI) of transgene that causes clonal variation and subsequent large‐scale clone screening. Therefore, site‐specific integration (SSI) of transgenes into genomic hot spots has recently emerged as an alternative method for cell line development. However, the specific mechanisms underlying hot spot site formation remain unclear. In this study, we aimed to generate landing pad (LP) cell lines via the RI of transgenes encoding fluorescent reporter proteins flanked by recombination sites to facilitate recombinase‐mediated cassette exchange. The RI‐based LP cell line expressing high reporter levels with spontaneous C12orf35 locus deletion exhibited similar reporter fluorescent protein levels compared to targeted integrants with an identical reporter LP construct at the CHO genome hot spot, the C12orf35 locus. Additionally, Resf1, a C12orf35 locus gene, knockout (KO) in the RI‐based LP cell line with conserved C12orf35 increased reporter expression levels, comparable to those in cell lines with C12orf35 locus disruption. These results indicate that the effect of SSI into the C12orf35 locus, a genomic hot spot, on high‐level transgene expression was caused by C12orf35 disruption. In contrast to C12orf35 KO, KO at other well‐known hot spot sites at specific loci of genes, including Fer1L4, Hprt1, Adgrl4, Clcc1, Dop1b, and Ddc, did not increase transgene expression. Overall, our findings suggest that C12orf35 is a promising engineering target and a hot spot for SSI‐based cell line development.
The characterization of cell traction force on nonflat surfaces with different curvature by elastic hydrogel microspheres
Authors: Dong Yuqing , Wang Cong , Ding Xin , Ma Xingquan , Huang Rong , Li Moxiao , Yang Qingzhen 
Published: July 2024

AbstractIt is of great importance to study the detachment/attachment behaviors of cells (cancer cell, immune cell, and epithelial cell), as they are closely related with tumor metastasis, immunoreaction, and tissue development at variety scales. To characterize the detachment/attachment during the interaction between cells and substrate, some researchers proposed using cell traction force (CTF) as the indicator. To date, various strategies have been developed to measure the CTF. However, these methods only realize the measurements of cell passive forces on flat cases. To quantify the active CTF on nonflat surfaces, which can better mimic the in vivo case, we employed elastic hydrogel microspheres as a force sensor. The microspheres were fabricated by microfluidic chips with controllable size and mechanical properties to mimic substrate. Cells were cultured on microsphere and the CTF led to the deformation of microsphere. By detecting the morphology information, the CTF exerted by attached cells can be calculated by the in‐house numerical code. Using these microspheres, the CTF of various cells (including tumor cell, immunological cell, and epithelium cell) were successfully obtained on nonflat surfaces with different curvature radii. The proposed method provides a versatile platform to measure the CTF with high precision and to understand the detachment/attachment behaviors during physiology processes.
The effects of a defendant's childhood physical abuse on lay support for sentencing: The moderating role of essentialism
Authors: Xie Sandy S. , Berryessa Colleen M. 
Published: July 2024

AbstractResearch suggests that a defendant's history of experiencing childhood abuse, and its effects on their life and later decision‐making, may impact public support for a defendant's sentencing, particularly mitigation. However, no existing research has examined how and why sentencing support may vary based on the time period when the abuse occurs during a defendant's childhood. This experiment, using a sample of the U.S. public (N = 400), examines how the age at which a defendant's childhood physical abuse occurs affects lay support for the goals of their sentencing. We hypothesized that participants with higher levels of social and biological trait essentialism would moderate their increased support for more punitive sentencing goals—particularly when a defendant was abused earlier, rather than later, in childhood. Results suggest that social essentialism is associated with increased support for restoration and rehabilitation toward defendants with histories of childhood physical abuse, potentially indicating that the public views the effects of child abuse as more of a social, versus biological, process which may affect support for utilitarian punishment goals.