bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioselective Palladium-Catalyzed Suzuki–Miyaura Reactions Enabled by Ionic Ligand–Substrate Interactions
Authors: Zhu Ye , On Ivan K. W. 
Published: June 2023

AbstractEnzymes harness an array of noncovalent interactions to accomplish stereospecific transformations. Similarly, chemists have engineered chiral catalysts capable of eliciting noncovalent interactions for asymmetric synthesis. In this context, incorporating ionic groups into synthetic transition-metal catalysts represents a promising design element for enantioselective reactions by engaging electrostatic interactions between ligands and substrates. However, the nondirectional nature of ionic interactions presents a unique challenge in precise transmission of chirality. This account summarizes our recent work on developing phosphine ligands possessing nonligating ionic groups for exerting long-range stereocontrol in Suzuki–Miyaura reactions.1	Introduction2	Remote Quaternary Stereocenters3	Mechanically Planar Chiral Rotaxanes4	Atropo-enantioenriched Biaryls5	Conclusions
Synthesis and Coordination Behavior of 9,10-Diarsatriptycene
Authors: Imoto Hiroaki , Naka Kensuke , Inaba Ryoto , Kikuchi Takashi 
Published: June 2023

AbstractHerein, 9,10-diheterotriptycenes (DHTs) containing heavy pnictogens (Pn, Pn = As, Sb, and Bi) are synthesized without using the dangerous chemicals used in conventional synthetic methods: tert-butyllithium, organomercury reagents, or trichloroarsine. In particular, 9,10-diarsatriptycene is obtained in relatively high yield and is stable under oxidation and coordination reactions. Additionally, the gold chloride complex 9,10-diarsatriptycene forms a one-dimensional supramolecular polymer constructed through coordination and aurophilic interactions.
Photochemical Reaction of 1,2-Naphthoquinone toward Enantioselective Synthesis of γ-Rubromycin: Viability Dependence on Chromophore
Authors: Ando Yoshio , Ohmori Ken , Ogawa Daichi , Wakita Fumihiro , Suzuki Keisuke 
Published: June 2023

AbstractAiming at the enantioselective total synthesis of γ-rubromycin, we reported the photochemical reaction of 1,2-naphthoquinone as a promising solution to otherwise-difficult enantiocontrol of the single spiroacetal stereogenic center. The present study examined the applicability of this approach to more functionalized substrates, which revealed viability dependence on the chromophore structure differing in the position and number of methoxy substituents.
The Need for Presurgical Evaluation for Placenta Accreta Spectrum
Authors: Einerson Brett D. , Shamshirsaz Alireza A. , Stephenson Megan L. , Khandelwal Meena , Holt Roxane , Duzyj Christina M. , Shrivastava Vineet K. 
Published: June 2023

Staging or grading of placenta accreta spectrum has historically relied on histopathologic evaluation of placental and uterine specimens. This approach has limited utility, since it is retrospective in nature and does not allow for presurgical planning. Here, we argue for a paradigm shift to use of clinical and imaging characteristics to define the presurgical stage. We summarize past attempts at staging, and define a new data-driven approach to determining the stage prior to delivery. Use of this model may help hospitals direct patients to the most appropriate level of care for workup and management of placenta accreta spectrum.
Key Points
Mental Health and Placenta Accreta Spectrum
Authors: Salama Kate , Holt Roxane , Puryear Lucy J. 
Published: June 2023

AbstractNearly half of women describe childbirth as traumatic in some way, making them more vulnerable to perinatal psychiatric illness. Patients with high risk pregnancies, such as abnormal placentation, are even more susceptible to childbirth related mental health sequelae. There are no formal recommendations for mental health intervention in women with placenta accreta spectrum (PAS). In many institutions, the Edinburgh Postpartum Depression Scale is used to assess for depressive and anxiety symptoms during pregnancy and postpartum. Women with PAS should be screened at time of diagnosis, monthly until delivery, and at multiple time points through the first year postpartum. It is also recommended to screen women for PTSD prior to and after delivery. Interventions shown helpful in the PAS population include establishing a multidisciplinary team, patient access to a support person or care coordinator, development of a postpartum care team and plan, and extending mental health follow up through the first year postpartum. Women with PAS are at increased risk for negative mental health outcomes. To support the mental health of women with PAS and their families, we recommend a multi-disciplinary treatment team, screening for mental health sequelae early and often, referring women with positive screens to mental health professionals, involving the partner/family in care, and considering referral to a PAS support group for peer support.
Imaging the Uterus in Placenta Accreta Spectrum Disorder
Authors: Khandelwal Meena , Shipp Thomas D. , Zelop Carolyn M. , Abuhamad Alfred Z. , Afshar Yalda , Einerson Brett D. , Fox Karin A. , Huisman Thierry A. G. M. , Lyell Deirdre J. , Perni Uma , Platt Lawrence D. , Shainker Scott A. ,   for the Pan American Society for Placenta Accreta Spectrum (PAS2)
Published: June 2023

Antenatal diagnosis of placenta accreta spectrum (PAS) improves maternal and neonatal outcomes by allowing for multidisciplinary planning and preparedness. Ultrasound is the primary imaging tool. Simplification and standardization of placental evaluation and reporting terminology allows improved communication and understanding between teams. Prior to 10 weeks of gestation, gestational sac position and least myometrial thickness surrounding the gestational sac help PAS diagnosis very early in pregnancy. Late first-, second-, and third-trimester evaluation includes comprehensive evaluation of the placenta, transabdominal and transvaginal with partially full maternal urinary bladder, and by color Doppler. Subsequently, the sonologist should indicate whether the evaluation was optimal or suboptimal; the level of suspicion as low, moderate, or high; and the extent as focal, global, or extending beyond the uterus. Other complementary imaging modalities such as 3D-power Doppler ultrasound, magnetic resonance imaging (MRI), and vascular topography mapping strive to improve antenatal placental evaluation but remain investigational at present.
Key Points
Pharmacodynamics Monitoring of Emicizumab in Patients with Hemophilia A
Authors: Bertaggia Calderara Debora , Marchi Cappelletti Rita , Batista Mesquita Sauvage Ana Patricia , Durual Stéphane , Gomez Francisco J. , Zermatten Maxime G. , Aliotta Alessandro , Casini Alessandro , Alberio Lorenzo 
Published: June 2023

Background Emicizumab is a bispecific antibody mimicking coagulation factor VIII (FVIII) employed to treat patients with hemophilia A (PwHA) regardless of FVIII inhibitor status. The identification of biological markers reflecting the hemostatic competence of patients under emicizumab therapy would have a great clinical value. Unfortunately, emicizumab over-corrects standard coagulation assays, precluding their use for evaluating the hemostatic correction achieved in vivo. Here, we investigated whether global coagulation assays (GCA) would allow monitoring the biological response to non-factor replacement therapy with emicizumab.
Materials and Methods Six adults PwHA received a weekly dose of emicizumab of 3 mg/kg during weeks (W) 1 4 and 1.5 mg/kg from W5 onwards. Response to treatment was monitored weekly by emicizumab plasma concentration, thrombin generation (TG), and fibrin clot formation (FCF) and structure. TG and FCF results were compared to patient baseline, FVIII replacement, and healthy donors.
Results TG and FCF significantly increased in PwHA after the loading period, reaching a plateau that lasted until the end of monitoring. Similarly, fibrin clot network became denser with thinner fibrin fibers. However, TG contrary to FCF remained at the lower limits of reference values. Remarkably, despite having similar plateau concentrations of emicizumab some patients showed markedly different degrees of TG and FCF improvement.
Conclusion Our study enriches the knowledge on the use of GCA to monitor non-factor replacement therapy, indicating that TG and FCF could act as direct markers of emicizumab biological activity. GCA allow to capture and visualize the individually variable response to emicizumab, leading a step forward to the personalization of patient treatment.
Bias and anti-bias
Authors: Farkas Donka F. 
Published: June 2023

Abstract
This paper proposes an account of the interpretive effects of two discourse particles in Hungarian, talán and vajon, within the view of context and context change developed in Farkas & Roelofsen (2017), and shows that the restrictions on their distribution follow from their interpretive properties. Building on Gyuris (2022), talán will be treated as signaling epistemic bias in both declaratives and interrogatives. Following Farkas (2022), vajon will be treated as a non-intrusive question marker, which, in the account proposed, is incompatible with bias markers. The restrictions on the sentence types in which these particles occur, as well as the fact that there are restrictions on their co-occurence, will be derived from their interpretive contribution.
Designing new types of problems using peer-reviewed papers
Authors: Šarlah Andreja , Planinšič Gorazd 
Published: June 2023

Abstract
In the 21st century teachers, including university teachers, have to help students develop higher-level thinking skills, conceptual understanding, and problem-solving strategies similar to those used by experts. Previous research shows that solving traditional physics problems, which usually have one right answer and provide all the given and relevant assumptions, do not help students develop those skills. Thus, new types of problems have to be designed. We show two examples of how new types of problems can be designed using peer-reviewed research papers as the basis and share the experience with the evolution of those problems. In addition, we show that the students included in the research appreciate the structure and the context of the problems and that the faculty colleagues who are using traditional teaching approach identify several skills and competencies which these problems develop, and which cannot be developed by solving traditional problems.
Convergence analysis of an alternating direction method of multipliers for the identification of nonsmooth diffusion parameters with total variation
Authors: Ouakrim Y , Boutaayamou I , El Yazidi Y , Zafrar A 
Published: June 2023

Abstract
The paper presents a numerical method for identifying discontinuous conductivities in elliptic equations from boundary observations. The solutions to this inverse problem are obtained through a constrained optimization problem, where the cost functional is a combination of the Kohn–Vogelius and Total Variation functionals. Instead of regularizing the Total Variation stabilization functional, which is commonly used in the literature, we introduce an Alternating Direction Method of Multipliers to preserve the favorable properties of non-smoothness and convexity. The discretization is carried out using a mixed finite element/volume method, while the numerical solutions are iteratively computed using a variant of the Uzawa algorithm. We show the surjectivity of the derivatives of the constraints related to the discrete optimization problem and derive a source condition for the discrete inverse problem. We then investigate the convergence analysis and establish the convergence rate. Finally, we conclude with some numerical experiments to illustrate the efficiency of the proposed method.
Efficacy of back barrier engineered Π-gate InAlN/GaN high electron mobility transistors for high-power applications
Authors: Sehra Khushwant , Anand Anupama , Chanchal  , Malik Amit , Kumari Vandana , Gupta Mridula , Mishra Meena , Rawal D S , Saxena Manoj 
Published: June 2023

Abstract
This work investigates thin-barrier InAlN/GaN high electron mobility transistors (HEMTs) for high-power applications through technology computer-aided design (TCAD) simulations. To begin with, the TCAD simulations were first calibrated with an in-house fabricated InAlN HEMT sample for both DC and pulsed characteristics. The thin-barrier InAlN/GaN HEMTs showed a large leakage current through the gate electrode due to high gate injection, which severely degrades the breakdown characteristics of the device and thus acts as a bottleneck for high-power applications. To improve the two-dimensional electron gas confinement, and consequently reduce the bulk leakage, a back-barrier technique was used. The resistive GaN buffer was replaced with an AlGaN back-barrier that improved the breakdown characteristics at the cost of output power density. Thus, to scale up the output power density and further optimize the breakdown characteristics a Π-shaped gate was introduced to limit the gate leakage current through the InAlN barrier by virtue of its improved hot electron reliability. Coupled with the AlGaN back-barrier, the Π-gate significantly improved the breakdown characteristics to achieve high output power densities, albeit with minor trade-offs to the device gain. To elucidate the compatibility with high-power applications, all the device architectures were dynamically characterized by pulsed I–V simulations and the trap-related dispersive effects were investigated. The Π-shaped gate coupled with an AlGaN back-barrier outperforms conventional architectures by exercising superior electrostatic control over the channel and exhibiting a high linearity for high-power millimeter-wave applications.
Transfer matrix in 1D Dirac-like problems
Authors: Ibarra-Reyes M , Pérez-Álvarez R , Rodríguez-Vargas I 
Published: June 2023

Abstract
The transfer matrix method is considered to obtain the fundamental properties of 1D Dirac-like problems. The case of 1D problems in monolayer graphene is addressed. The main characteristics of the transfer matrix are analyzed, contrasting them with the ones corresponding to 1D Schrödinger-like problems. Analytic expressions for the transmission coefficient and bound states are obtained. The continuity between bound states and states of perfect transmission is demonstrated in general, and in particular showed for the case of single electrostatic barriers. These findings in principle can be extended to 2D materials with Hamiltonian similar to monolayer graphene such as silicene and transition metal dichalcogenides.
Pd@PtRuNi core–shell nanowires as oxygen reduction electrocatalysts
Authors: Liu Qian , Dong Seng , Wang Yuanzhe , Jia Weiyi , Chen Xi , Gao Faming , Wang Yatao 
Published: June 2023

Abstract
Fuel cells, as the alternative to fossil energy, have engaged widespread attention by reason of the high conversion efficiency from the chemical energy to the electric energy combined with low pollution emissions. The cathodic ORR catalysts with excellent performance and cost-effectiveness are the dominant point towards the massive development of fuel cells. Here, our group select the Pd NWs as the template and construct the Pd@PtRuNi core–shell bilayer nanostructure to expand platinum atom utilization. Pd@PtRuNi bilayer core–shell NWs unfold elevated mass activity of

1.62

A

mg

metal

−
1

at 0.9 V versus RHE in alkaline media, 2.03- and 6.23-fold of pristine Pd NWs and benchmark commercial Pt/C, respectively. Meanwhile, the cyclic stability tests reveal the excellent durability of Pd@PtRuNi NWs, whose mass activity is only 13.58% degradation after accelerated durability tests. The catalytic activity and durability towards ORR are better than the U.S. 2025 DOE target (

0.44

A

mg

pt

−
1

and less than 40% activity attenuation at 0.9 V after 30 000 potential cycles). The elevated catalytic properties can be traceable to the synergism between the ligand effect of Ni and Ru and one-dimensional structure superiority, which optimizes the electronic structure of active sites, promotes the charge transfer and restrains the agglomeration and detachment.
Absorption characteristics and solar absorption capacity of Au core NR coated with various shell material
Authors: Xing Linzhuang , Ha Yuan , Wang Ruipeng , Li Zhimin 
Published: June 2023

Abstract
Au nanorods (NRs) can be used to improve the performance of direct absorption solar collectors (DASCs), however, the solar absorption of Au NRs should be further improved because the absorption of Au NRs in near-infrared range is strong while the absorption in visible range is relatively weak where the solar spectrum intensity is the strongest. Based on this tissue, a composite nanostructure composed of Au core NR and Mg shell is proposed to improve the solar absorption capacity. The choice of Mg material as the shell composition is explained. By optimizing the composition structure, the enhancement effect on the absorption properties of Au@Mg NR from visible range to near-infrared range is proven by the finite element method. Furthermore, the effect of imperfect shell on absorption capacity of Au@Mg NR is discussed. Finally, the DASCs performance based on optimal Au@Mg NR nanofluids is evaluated. The results show that when the volume fraction is lower than 2 ppm and the collector depth is 2 cm, the highest solar energy harvesting capacity (>92%) using Au@Mg NRs nanofluids can be obtained, showing an excellent Au-based material for DASCs application.
Sneaking in SpyCatcher using cell penetrating peptides for in vivo imaging
Authors: Tyler James , Ralston Corie Y , Rad Behzad 
Published: June 2023

Abstract

In vivo imaging of protein complexes is a powerful method for understanding the underlying biological function of these key biomolecules. Though the engineering of small, high affinity nanobodies have become more prevalent, the off-rates of these tags may result in incomplete or partial labeling of proteins in live cells. The SpyCatcher003 and SpyTag split protein system allow for irreversible, covalent binding to a short target peptide unlike nanobody-affinity based probes. However, delivering these tags into a cell without disrupting its normal function is a key challenge. Cell penetrating peptides (CPPs) are short peptide sequences that facilitate the transduction of otherwise membrane-impermeable ‘cargo’ , such as proteins, into cells. Here we report on our efforts to engineer and characterize CPP-SpyCatcher003 fusions as modular imaging probes. We selected three CPPs, CUPID, Pentratin, and pVEC, to engineer fusion protein probes for superresolution microscopy, with the aim to eliminate prior permeabilization treatments that could introduce imaging artifacts. We find that fusing the CPP sequences to SpyCatcher003 resulted in dimer and multimer formation as determined by size exclusion chromatography, dynamic light scattering, and SDS resistant dimers on SDS-PAGE gels. By isolating and labeling the monomeric forms of the engineered protein, we show these constructs retained their ability to bind SpyTag and all three CPP sequences remain membrane active, as assessed by CD spectroscopy in the presence of SDS detergent. Using fluorescence and super resolution Lattice structured illumination microscopy (Lattice SIM) imaging we show that the CPPs did not enhance uptake of SpyCatcher by E. coli, however with Caulobacter crescentus cells, we show that Penetratin, and to a lesser degree CUPID, does enhance uptake. Our results demonstrate the ability of the CPP-SpyCatcher003 to label targets within living cells, providing the groundwork for using split protein systems for targeted in vivo imaging.
Sodium and potassium ion storage in cation substituted 2D MoWSe2: insights into the effects of upper voltage cut-off
Authors: Dey Sonjoy , Singh Gurpreet 
Published: June 2023

Abstract
The superior properties, such as large interlayer spacing and the ability to host large alkali-metal ions, of two-dimensional (2D) materials based on transition metal di-chalcogenides (TMDs) enable next-generation battery development beyond lithium-ion rechargeable batteries. In addition, compelling but rarely inspected TMD alloys provide additional opportunities to tailor bandgap and enhance thermodynamic stability. This study explores the sodium-ion (Na-ion) and potassium-ion (K-ion) storage behavior of cation-substituted molybdenum tungsten diselenide (MoWSe2), a TMD alloy. This research also investigates upper potential suspension to overcome obstacles commonly associated with TMD materials, such as capacity fading at high current rates, prolonged cycling conditions, and voltage polarization during conversion reaction. The voltage cut-off was restricted to 1.5 V, 2.0 V, and 2.5 V to realize the material’s Na+ and K+ ion storage behavior. Three-dimensional (3D) surface plots of differential capacity analysis up to prolonged cycles revealed the convenience of voltage suspension as a viable method for structural preservation. Moreover, the cells with higher potential cut-off values conveyed improved cycling stability, higher and stable coulombic efficiency for Na+ and K+ ion half-cells, and increased capacity retention for Na+ ion half-cells, respectively, with half-cells cycled at higher voltage ranges.
Determination of electric and thermoelectric properties of molecular junctions by AFM in peak force tapping mode
Authors: Wang Xintai , Lamantia Angelo , Jay Michael , Sadeghi Hatef , Lambert Colin J , Kolosov Oleg V , Robinson Benjamin J 
Published: June 2023

Abstract
Molecular thin films, such as self-assembled monolayers (SAMs), offer the possibility of translating the optimised thermophysical and electrical properties of high-Seebeck-coefficient single molecules to scalable device architectures. However, for many scanning probe-based approaches attempting to characterise such SAMs, there remains a significant challenge in recovering single-molecule equivalent values from large-area films due to the intrinsic uncertainty of the probe-sample contact area coupled with film damage caused by contact forces. Here we report a new reproducible non-destructive method for probing the electrical and thermoelectric (TE) properties of small assemblies (10–103) of thiol-terminated molecules arranged within a SAM on a gold surface, and demonstrate the successful and reproducible measurements of the equivalent single-molecule electrical conductivity and Seebeck values. We have used a modified thermal-electric force microscopy approach, which integrates the conductive-probe atomic force microscope, a sample positioned on a temperature-controlled heater, and a probe-sample peak-force feedback that interactively limits the normal force across the molecular junctions. The experimental results are interpreted by density functional theory calculations allowing quantification the electrical quantum transport properties of both single molecules and small clusters of molecules. Significantly, this approach effectively eliminates lateral forces between probe and sample, minimising disruption to the SAM while enabling simultaneous mapping of the SAMs nanomechanical properties, as well as electrical and/or TE response, thereby allowing correlation of the film properties.