bluuebunny/crossref_metadata_2025_split huggingface dataset:
Triisobutylaluminium-Mediated Regioselective Protection of Sterically Hindered Amide NH of Cyclo-(AA-Gly): Key Building Block for Next-Generation Peptide Synthesis
Authors: Ramakrishna Isai , Hattori Tomohiro , Yamamoto Hisashi , Ishiguro Tomomi 
Published: November 2023

AbstractIn this study, we address the challenge of regioselective Boc protection in the more sterically hindered amide NH of unsymmetrical 2,5-diketopiperazines (DKPs) formed from glycine and various amino acids. Our research introduces a novel technique utilizing cost-effective triisobutylaluminium and trimethoxysilane. Notably, trimethoxysilane selectively reacts with the less hindered amide NH, facilitating the regioselective Boc protection of the more congested amide NH in DKPs. The primary objective of our work is to develop a straightforward and scalable approach for the synthesis of Boc-protected DKPs, with a focus on addressing the steric challenges presented by these compounds. We successfully demonstrate the scalability of this method, enabling the synthesis of a variety of mono-Fmoc-, Cbz-, Alloc-, and EtOCO-protected DKPs. Furthermore, we extend the applicability of this strategy by employing it in the construction of pentapeptides through a twofold peptide-elongation process. Our findings reveal the versatility and efficiency of this regioselective Boc-protection method. Overall, this research introduces a valuable solution to the regioselective Boc-protection challenge in DKPs and demonstrates its applicability in peptide synthesis, showcasing its potential for further advancements in the field.
A Novel Route towards Bicyclo[1.1.1]pentane Sulfoxides from a Bench-Stable Starting Material
Authors: Bräse Stefan , Langer Lukas S. , Stahlberger Mareen , Bär Robin M. 
Published: November 2023

AbstractBicyclopentanes (BCPs) are non-classical bioisosteres that have gained a lot of interest in drug discovery as non-conjugated rigid hydrocarbons. There has been substantial progress in the synthesis of carbon- and nitrogen-substituted derivatives using [1.1.1]propellane as a precursor, while sulfur-substituted BCPs are rather underdeveloped. This work investigates a new method for the synthesis of BCP-sulfoxides. Herein, a previously reported bench-stable sodium BCP-sulfinate precursor is converted, using a range of aryl and alkyl magnesium bromides, into unsymmetrical BCP-sulfoxides via a convenient one-pot procedure. Furthermore, the conversion of the obtained sulfoxides into sulfoximines is explored.
Risk Factors Analysis of Severe Liver Injury Induced by
Statins
Authors: Su Feng-yun , Li Wen-hua , Zhao Xu-dong , Han Qian , Xu Xin , Geng Tao 
Published: November 2023

AbstractThe aim of this study is to report the risk factors of severe statin induced
liver injury (SILI). From the database of Shandong ADR Monitoring Center and
Outpatients and inpatients in our hospital, SILI cases reported from 2013 to
2021 were extracted and screened. The diagnostic criteria of SILI, the inclusion
and exclusion criteria of severe and general SILI were established separately.
After the SILI cases were selected and confirmed, the socio-demographic and
clinical characteristics were collected. Single factor chi-square test and
multi-factor unconditional logistic regression analysis were used to analyze the
influencing factors of severe SILI. From 1391 reported cases, 1211 met SILI
diagnostic criteria, of which 157 were severe SILI and 964 were general SILI.
Univariate analysis showed that age, drug combination, statin category were the
influencing factors of severe SILI (p<0.1). Multivariate logistic
analysis showed that drug combination and statin category were the influencing
factors of severe SILI (p<0.05). Atorvastatin caused the most serious
SILI, and its risk is 1.77 times higher than rosuvastatin. The serious SILI risk
of drug combination was 2.08 times higher than statin alone. The patient with
these factors should be monitored intensively during clinical treatment, to
ensure their medication safety.
Two sides of the same coin? Examining the interrelation between the proposed new human right and the law governing outer space
Authors: Ramuš Cvetkovič Iva 
Published: November 2023

AbstractThe basis of the law governing outer space was set out more than fifty years ago, but the nature of space activities has dramatically changed over the years. The increasing involvement of non-state actors, the concerning amount of space debris in orbit, the extensive use of space technology in modern warfare and several other factors have demonstrated the shortcomings of the existing legal framework. Despite the fact that these factors pose a severe threat to the health and lives of humans, they have not yet been properly regulated. In order to contribute to a better protection of these values, more concrete rules will need to be adopted. One way to achieve a greater protection of the health and lives of humans is the proposed new human right, based upon hearings before the Airspace Tribunal, aimed at protecting the freedom to live without physical or psychological threat from above. In this paper, I seek to examine the interrelation between the proposed human right and the law governing outer space. I examine, on one hand, whether the existing legal framework offers a basis for the establishment of the new human right, and on the other hand, whether the proposed human right carries potential relevance for further developments and improvements of space law.
Exciton–polaron interactions in metal halide perovskite nanocrystals revealed via two-dimensional electronic spectroscopy
Authors: Brosseau Patrick , Ghosh Arnab , Seiler Helene , Strandell Dallas , Kambhampati Patanjali 
Published: November 2023

Metal halide perovskite nanocrystals have been under intense investigation for their promise in optoelectronic devices due to their remarkable physics, such as liquid/solid duality. This liquid/solid duality may give rise to their defect tolerance and other such useful properties. This duality means that the electronic states are fluctuating in time, on a distribution of timescales from femtoseconds to picoseconds. Hence, these lattice induced energy fluctuations that are connected to polaron formation are also connected to exciton formation and dynamics. We observe these correlations and dynamics in metal halide perovskite nanocrystals of CsPbI3 and CsPbBr3 using two-dimensional electronic (2DE) spectroscopy, with its unique ability to resolve dynamics in heterogeneously broadened systems. The 2DE spectra immediately reveal a previously unobserved excitonic splitting in these 15 nm NCs that may have a coarse excitonic structure. 2D lineshape dynamics reveal a glassy response on the 300 fs timescale due to polaron formation. The lighter Br system shows larger amplitude and faster timescale fluctuations that give rise to dynamic line broadening. The 2DE signals enable 1D transient absorption analysis of exciton cooling dynamics. Exciton cooling within this doublet is shown to take place on a slower timescale than within the excitonic continuum. The energy dissipation rates are the same for the I and Br systems for incoherent exciton cooling but are very different for the coherent dynamics that give rise to line broadening. Exciton cooling is shown to take place on the same timescale as polaron formation, revealing both as coupled many-body excitation.
Measurements of absolute line strength of the ν1 fundamental transitions of OH radical and rate coefficient of the reaction OH + H2O2 with mid-infrared two-color time-resolved dual-comb spectroscopy
Authors: Chang Che-Wei , Chen I-Yun , Fittschen Christa , Luo Pei-Ling 
Published: November 2023

Absolute line strengths of several transitions in the ν1 fundamental band of the hydroxyl radical (OH) have been measured by simultaneous determination of hydrogen peroxide (H2O2) and OH upon laser photolysis of H2O2. Based on the well-known quantum yield for the generation of OH radicals in the 248-nm photolysis of H2O2, the line strength of the OH radicals can be accurately derived by adopting the line strength of the well-characterized transitions of H2O2 and analyzing the difference absorbance time traces of H2O2 and OH obtained upon laser photolysis. Employing a synchronized two-color dual-comb spectrometer, we measured high-resolution time-resolved absorption spectra of H2O2 near 7.9 µm and the OH radical near 2.9 µm, simultaneously, under varied conditions. In addition to the studies of the line strengths of the selected H2O2 and OH transitions, the kinetics of the reaction between OH and H2O2 were investigated. A pressure-independent rate coefficient kOH+H2O2 was determined to be [1.97 (+0.10/−0.15)] × 10−12 cm3 molecule−1 s−1 at 296 K and compared with other experimental results. By carefully analyzing both high-resolution spectra and temporal absorbance profiles of H2O2 and OH, the uncertainty of the obtained OH line strengths can be achieved down to &lt;10% in this work. Moreover, the proposed two-color time-resolved dual-comb spectroscopy provides a new approach for directly determining the line strengths of transient free radicals and holds promise for investigations on their self-reaction kinetics as well as radical–radical reactions.
Weakest link or strongest link?
Authors: Donovan Andrea Marquardt , Brown Sarah A. , Alibali Martha W. 
Published: November 2023

Abstract
Teachers often use gestures to connect representations of mathematical ideas. This research examined (1) whether
such linking gestures help students understand connections among representations and (2) whether sets of gestures that include
repeated handshapes and motions – termed gestural catchments – are particularly beneficial. Undergraduates viewed
one of four video lessons connecting two representations of multiplication. In the control lesson, the instructor
produced beat gestures that did not link the representations. In the link-only lesson, the instructor used
gestures to link representations, but the gestures did not form a catchment. In the consistent-catchment lesson,
the instructor highlighted corresponding elements of the two representations using identical gestures. In the
inconsistent-catchment lesson, the instructor highlighted non-corresponding elements of the two
representations using identical gestures. Participants who saw the lesson with the consistent catchment – which highlighted
similarities between representations – were most likely to understand the novel representation and to report learning from the
lesson.
Parody against hate speech
Authors: Trigoso Marco 
Published: November 2023

Abstract
Political crises often lead to the violent use of digital platforms. This text aims to analyze a particular
response to that vitriolic discourse on Twitter: political parody. During the institutional crisis and political battle between
the government of former Peruvian President Martín Vizcarra and the Peruvian Congress between 2017 and 2019, some political actors
stood out, but not for good reasons. Karina Beteta, a right-wing Peruvian parliamentarian, used Twitter to interact with people,
defend her decisions and attack anyone who did not share her viewpoints. She distinguished herself by tweeting confusing and,
according to some, mocking texts. These tweets received an original counter-discourse with the creation of @smartbeteta, a parody
account of politics. This paper analyzes the parodic performance by focusing on the pragmatic strategies embedded in
@smartbeteta’s tweets and the role adopted by this account in the communication flows.
An exact, coordinate independent classical firewall transformation
Authors: Strauss Nathaniel A , Whiting Bernard F 
Published: November 2023

AbstractA proposal for resolving the black hole information paradox was recently put forward by ’t Hooft in the form of his firewall transformation. Although this proposal has begun to gain some limited traction, its physical foundation is still somewhat obscure. Here we develop a classical Hamiltonian analog, which is oriented towards quantization, by using the canonical formalism developed by Arnowitt, Deser, and Misner (ADM). We use a model of two null, spherical shells in a Schwarzschild black hole background, and within our ADM formalism we are able to characterize the dynamics of the entire system, especially at the point of collision, and we reproduce the related Dray–’t Hooft–Redmount formula. Finally, we are able to find a classical analog for ’t Hooft’s firewall transformation. Unlike ’t Hooft’s firewall transformation and previous classical analogs, the classical firewall transformation we obtain is free from approximation and maintains the coordinate independence of the ADM formalism. We leave to future work the quantization of the theory.
A geomagnetic vector evolutionary compensation method using Woodbury equation
Authors: Zhang Qi , Liu Zhongyan , Xu Yujing , Guan Feng , Huang Bo , Pan Mengchun , Hu Jiafei , Chen Zhuo , Qiu Xiaotian , Tang Ying 
Published: November 2023

Abstract
High-accuracy geomagnetic vector measurements inevitably suffer from the magnetic interference derived from ferromagnetic materials and electric equipment. Traditionally, to eliminate the influence of magnetic interference, a compensation process can be implemented to estimate the interference parameters that contain hard-iron and soft-iron parameters. The traditional compensation method did not consider the situation where the interference parameters would vary over time due to the change in magnetic properties. To overcome this problem, we proposed an evolutionary compensation method based on the Woodbury equation. Using this approach, the interference parameters can be iteratively updated during the measurement process by combining the previous information and the latest measurement data. Both simulation and experimentation were undertaken to evaluate the effectiveness of our proposed approach. The results demonstrate that the proposed method is successful in minimizing the impact of magnetic interference variations. The experiment shows that the RMS errors of geomagnetic filed total intensity and three components can be decreased from 4042.57 nT, 1425.84 nT, 5342.40 nT, and 2921.34 nT to 170.57 nT, 58.39 nT, 207.99 nT and 137.75 nT respectively by traditional method, while with evolutionary method the errors can be reduced to 47.37 nT, 16.19 nT, 57.61 nT and 38.38 nT respectively.
Activated vortex lattice transition in a superconductor with combined sixfold and twelvefold anisotropic interactions
Authors: Minogue D , Eskildsen M R , Reichhardt C , Reichhardt C J O 
Published: November 2023

Abstract
Numerical simulations are used to examine the transition dynamics between metastable and ground state vortex lattice phases in a system with combined sixfold and twelvefold contributions to the vortex–vortex interactions. The system is initially annealed using a twelvefold anisotropy, yielding domains of two different orientations and separated by grain boundaries. The vortex–vortex interaction is then suddenly changed to a sixfold anisotropy, rendering the twelvefold state metastable. Applying a drive that mimics an oscillating magnetic field causes the metastable state to decay, indicated by the structure factor that evolves from twelve to six peaks. The results fit the behavior seen in recent small-angle neutron scattering studies of the vortex lattice in MgB2. At higher drive amplitudes, the decay exhibits a two step process in which the initial fast decrease is followed by a slower regime where avalanches or bursts are correlated with dislocation annihilation events. The results are compared to other types of metastable systems with quenched disorder that decay under a periodic external drive.
Nonlinear polarization holography of nanoscale iridium films
Authors: Hazra Mouli , Paul Pallabi , Kim Doyeong , David Christin , Gräfe Stefanie , Peschel Ulf , Kübel Matthias , Szeghalmi Adriana , Pfeiffer Adrian N 
Published: November 2023

Abstract
Attosecond nonlinear polarization spectroscopy designates the subcycle-precise retrieval of the electric field of a femtosecond laser pulse together with the nonlinear polarization response that the laser pulse triggers in a sample. Here, we introduce a method that is all-optical and applicable to metal films. The method is called nonlinear polarization holography because it is based on the comparison of two time-domain holograms with and without a metal film on a substrate. The working principle can be understood as the time-domain analog of holographic interferometry, in which the comparison of two spatial holograms reveals changes in an object’s size and position with interferometric precision (i.e. to fractions of the wavelength). Analogously, nonlinear polarization holography provides subcycle precision (i.e. to fractions of the optical period). Nonlinear polarization holography is used here to retrieve the time-domain nonlinear response of a nanoscale iridium film. Using density matrix calculations it is shown that the knowledge of the nonlinear response with subcycle precision allows distinguishing excitation and relaxation mechanisms of low-energetic electrons.
Generation of ultrashort Rayleigh wave pulses using the combination of temporal and spatial pulse compression technique
Authors: Jiang Chuanliu , Li Zhichao , Wang Shujuan 
Published: November 2023

Abstract
Rayleigh waves generated by electromagnetic acoustic transducers (EMATs) have been widely used in nondestructive testing and evaluations. To improve the signal to noise ratio (SNR) and spatial resolution of Rayleigh waves simultaneously, the combination of temporal and spatial pulse compression (TSPC) technique is proposed. By analyzing the topology diagram of the typical pulse compression technique, a frequency modulated signal acts as the stretcher and a wavelength modulated meander line coil acts as the compressor. Experimental results indicate that the ultrasound fields of Rayleigh waves using the proposed TSPC technique show a spike shape in the spatial domain. Compared with the typical meander-line coil EMATs, the TSPC technique shows significant improvement of the generated Rayleigh waves. The SNR has increased by 12 dB while the main lobe width has decreased by about 98%.
An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations
Authors: Mir Showkat Ahmad , Razzokov Jamoliddin , Mukherjee Vishwajeet , Baitharu Iswar , Nayak Binata 
Published: November 2023

Abstract
Acetylcholinesterase (AChE) is crucial for the breakdown of acetylcholine to acetate and choline, while the inhibition of AChE by anatoxin-a (ATX-a) results in severe health complications. This study explores the structural characteristics of ATX-a and its interactions with AChE, comparing to the reference molecule atropine for binding mechanisms. Molecular docking simulations reveal strong binding affinity of both ATX-a and atropine to AChE, interacting effectively with specific amino acids in the binding site as potential inhibitors. Quantitative assessment using the MM-PBSA method demonstrates a significantly negative binding free energy of −81.659 kJ mol−1 for ATX-a, indicating robust binding, while atropine exhibits a stronger binding affinity with a free energy of −127.565 kJ mol−1. Umbrella sampling calculates the ΔG
bind values to evaluate binding free energies, showing a favorable ΔG
bind of −36.432 kJ mol−1 for ATX-a and a slightly lower value of −30.12 kJ mol−1 for atropine. This study reveals the dual functionality of ATX-a, acting as both a nicotinic acetylcholine receptor agonist and an AChE inhibitor. Remarkably, stable complexes form between ATX-a and atropine with AChE at its active site, exhibiting remarkable binding free energies. These findings provide valuable insights into the potential use of ATX-a and atropine as promising candidates for modulating AChE activity.
US crop yield losses from hydroclimatic hazards
Authors: Choi Eunkyoung , Rigden Angela J , Tangdamrongsub Natthachet , Jasinski Michael F , Mueller Nathaniel D 
Published: November 2023

Abstract
Hydroclimatic stresses can negatively impact crop production via water deficits (low soil water supply and high atmospheric demand) or surpluses (high soil water supply and low atmospheric demand). However, the impact of both stresses on crop yields at regional scales is not well understood. Here we quantified yield sensitivities and corresponding spatio-temporal yield losses of US rainfed maize, soybeans, sorghum, and spring wheat to hydroclimatic stresses by considering the joint impacts of root-zone soil moisture and atmospheric evaporative demand from 1981 to 2020. We show that crop yields can be reduced similarly by two major hydroclimatic hazards, which are defined as the most yield damaging conditions over time: ‘Low Supply + High Demand’ and ‘High Supply + Low Demand’. However, more exposure to ‘Low Supply + High Demand’ hazard led to the largest annual yield losses (7%–17%) across all four crops over time. Modeled yield losses due to these hazards were significantly associated with crop insurance lost costs. The extent of yield losses varies considerably by crop and location, highlighting the need for crop-specific and regionally tailored adaptation strategies.
Plasma nitrogen fixation system with dual-loop enhancement for improved energy efficiency and its efficacy for lettuce cultivation
Authors: HAN 韩 Zeyang 泽阳 , ZHANG 张 Mengxue 梦雪 , ZHANG 张 Di 頔 , HE 何 Xin 欣 , JING 井 Tianjun 天军 , GE 葛 Zhixuan 知轩 , LI 李 Yuge 玉鸽 , ZHU 朱 Tong 童 , REN 任 Yunhong 云鸿 , ZHONG 仲 Chongshan 崇山 , JI 季 Fang 方 
Published: November 2023

Abstract
Plasma nitrogen fixation (PNF) has been emerging as a promising technology for greenhouse gas-free and renewable energy-based agriculture. Yet, most PNF studies seldom address practical application-specific issues. In this work, we present the development of a compact and automatic PNF system for on-site agricultural applications. The system utilized a gliding-arc discharge as the plasma source and employed a dual-loop design to generate

from air and water under atmospheric conditions. Experimental results showed that the system with a dual-loop design performs well in terms of energy costs and production rates. Optimal operational parameters for the system were determined through experimentation, resulting in an energy cost of 13.9 MJ mol−1 and an energy efficiency of 16 g kWh−1 for

production, respectively. Moreover, the concentration of exhausted NO
x
was below the emission standards. Soilless lettuce cultivation experiments demonstrated that

produced by the PNF system could serve as liquid nitrate nitrogen fertilizer. Overall, our work demonstrates the potential of the developed PNF system for on-site application in the production of green-leaf vegetables.