bluuebunny/crossref_metadata_2025 huggingface dataset:
Determination of the electronic portal imaging device pixel‐sensitivity‐map for quality assurance applications. Part 1: Comparison of methods
Authors: Barnes Michael Paul , Sun Baozhou , Oborn Brad Michael , Lamichhane Bishnu , Szwec Stuart , Schmidt Matthew , Cai Bin , Menk Frederick , Greer Peter
Published: April 2022

Purpose

Calibration of a radiotherapy electronic portal imaging device (EPID) using the pixel‐sensitivity‐map (PSM) in place of the flood field correction improves the utility of the EPID for quality assurance applications. Multiple methods are available for determining the PSM and this study provides an evaluation to inform on which is superior.

Methods

Three different empirical methods (“Calvary Mater Newcastle” [CMN], “Varian,” and “WashU”) and a Monte Carlo‐based method of PSM determination were investigated on a single Varian TrueBeam STx linear accelerator (linac) with an aS1200 EPID panel. PSM measurements were performed for each empirical method three successive times using the 6 MV beam. The resulting PSM from each method was compared to the Monte Carlo method as a reference using 2D percentage deviation maps and histograms plus crossplane profiles. The repeatability of generated PSMs was also assessed via 2D standard deviation (SD) maps and histograms. Additionally, the Beam‐Response generated by removal of the PSM from a raw EPID image for each method was visually contrasted. Finally, the practicality of each method was assessed qualitatively and via the measured time required to acquire and export the required images.

Results

The median pixel‐by‐pixel percentage deviation between each of the empirical PSM methods and the Monte Carlo PSM was ‐0.36%, 0.24%, and 0.74% for the CMN, Varian, and WashU methods, respectively. Ninety‐five percent of pixels were found to be repeatable to within ‐0.21%, 0.08%, 0.19%, and 0.35% (1 SD) for the CMN, Monte Carlo, Varian, and WashU methods, respectively. The WashU method was found to be quickest for data acquisition and export and the CMN the slowest.

Conclusion

For the first time four methods of generating the EPID PSM have been compared in detail and strengths and weaknesses of each method have been identified. All methods are considered likely to be clinically acceptable and with similar practical requirements.
Structural Characterization of a Thorarchaeota Profilin Indicates Eukaryotic‐Like Features but with an Extended N‐Terminus
Authors: Inturi Raviteja , Lara Sandra , Derweesh Mahmoud , Chi Celestine N.
Published: April 2022

The emergence of the first eukaryotic cell is preceded by evolutionary events, which are still highly debatable. Clues of the exact sequence of events are beginning to emerge. Recent metagenomics analyses has uncovered the Asgard super‐phylum as the closest yet known archaea host of eukaryotes. Some of these have been tested and confirmed experimentally. However, the bulk of eukaryotic signature proteins predicted to be encoded by the Asgard super‐phylum have not been studied, and their true functions, at least in the context of a eukaryotic cell, are still elusive. For example, there are several different variants of the profilin within each Asgardian Achaea, and there are some conflicting results of their actual roles. Here, the 3D structure of profilin from Thorarchaeota is determined by nuclear magnetic resonance spectroscopy and shows that this profilin has a eukaryotic‐like profilin with a rigid core and an extended N‐terminus previously implicated in polyproline binding. In addition, it is also shown that Thorarchaeota Profilin co‐localizes with eukaryotic actin in cultured HeLa cells. This finding reaffirms the notion that Asgardian encoded proteins possess eukaryotic‐like characteristics and strengthen the likely existence of a complex cytoskeleton already in a last eukaryotic common ancestor.
Solution‐Processed Wafer‐Scale Ag2S Thin Films: Synthesis and Excellent Charge Transport Properties
Authors: Wang Junren , Fu Shuai , Zhang Heng , Graf Robert , Halim Henry , Chen Shuai , Zheng Wenhao , Bonn Mischa , Landfester Katharina , Riedinger Andreas , Wang Hai I.
Published: April 2022

Monoclinic α‐Ag2S is an intriguing member of transition metal sulfides with great potential for all‐inorganic flexible optoelectronics and thermoelectrics. Fabrication of large‐area, high‐quality α‐Ag2S thin films and understanding their charge transport properties are critical for device operations yet have remained largely unexplored. Here, a novel two‐step, the solution‐processed approach is reported to produce wafer‐sized, highly crystalline α‐Ag2S thin films. Ultrafast terahertz (THz) conductivity measurements reveal that photogenerated charge carriers undergo efficient band transport, with room‐temperature mobility of ≈150 cm2 V‐1 s‐1 and a diffusion length exceeding 500 nm. Furthermore, introducing poly(vinyl alcohol) (PVA) as the rigid component into the aqueous silver thiolate precursor enables the synthesis of free‐standing α‐Ag2S thin films with a mobility of ≈35 cm2 V‐1 s‐1, demonstrating their potential for flexible optoelectronics. This study provides a facile synthesis route for high‐quality, large‐area α‐Ag2S thin films with good charge transport properties, relevant for their integration into optoelectronics and wearable electronics.
Automated Laser‐Transfer Synthesis of High‐Density Microarrays for Infectious Disease Screening
Authors: Paris Grigori , Heidepriem Jasmin , Tsouka Alexandra , Liu Yuxin , Mattes Daniela S. , Pinzón Martín Sandra , Dallabernardina Pietro , Mende Marco , Lindner Celina , Wawrzinek Robert , Rademacher Christoph , Seeberger Peter H. , Breitling Frank , Bischoff Frank Ralf , Wolf Timo , Loeffler Felix F.
Published: April 2022

Laser‐induced forward transfer (LIFT) is a rapid laser‐patterning technique for high‐throughput combinatorial synthesis directly on glass slides. A lack of automation and precision limits LIFT applications to simple proof‐of‐concept syntheses of fewer than 100 compounds. Here, an automated synthesis instrument is reported that combines laser transfer and robotics for parallel synthesis in a microarray format with up to 10 000 individual reactions cm−2. An optimized pipeline for amide bond formation is the basis for preparing complex peptide microarrays with thousands of different sequences in high yield with high reproducibility. The resulting peptide arrays are of higher quality than commercial peptide arrays. More than 4800 15‐residue peptides resembling the entire Ebola virus proteome on a microarray are synthesized to study the antibody response of an Ebola virus infection survivor. Known and unknown epitopes that serve now as a basis for Ebola diagnostic development are identified. The versatility and precision of the synthesizer is demonstrated by in situ synthesis of fluorescent molecules via Schiff base reaction and multi‐step patterning of precisely definable amounts of fluorophores. This automated laser transfer synthesis approach opens new avenues for high‐throughput chemical synthesis and biological screening.
A Heterogeneously Integrated Spiking Neuron Array for Multimode‐Fused Perception and Object Classification
Authors: Zhu Jiaxue , Zhang Xumeng , Wang Rui , Wang Ming , Chen Pei , Cheng Lingli , Wu Zuheng , Wang Yongzhou , Liu Qi , Liu Ming
Published: April 2022

Multimode‐fused sensing in the somatosensory system helps people obtain comprehensive object properties and make accurate judgments. However, building such multisensory systems with conventional metal–oxide–semiconductor technology presents serious device integration and circuit complexity challenges. Here, a multimode‐fused spiking neuron (MFSN) with a compact structure to achieve human‐like multisensory perception is reported. The MFSN heterogeneously integrates a pressure sensor to process pressure and a NbOx‐based memristor to sense temperature. Using this MFSN, multisensory analog information can be fused into one spike train, showing excellent data compression and conversion capabilities. Moreover, both pressure and temperature information are distinguished from fused spikes by decoupling the output frequencies and amplitudes, supporting multimodal tactile perception. Then, a 3 × 3 MFSN array is fabricated, and the fused frequency patterns are fed into a spiking neural network for enhanced tactile pattern recognition. Finally, a larger MFSN array is simulated for classifying objects with different shapes, temperatures, and weights, validating the feasibility of the MFSNs for practical applications. The proof‐of‐concept MFSNs enable the building of multimodal sensory systems and contribute to the development of highly intelligent robotics.
SEEDING to Enable Sensitive Electrochemical Detection of Biomarkers in Undiluted Biological Samples
Authors: Sabaté del Río Jonathan , Woo Hyun‐Kyung , Park Juhee , Ha Hong Koo , Kim Jae‐Ryong , Cho Yoon‐Kyoung
Published: April 2022

Electrochemical biosensors have shown great potential for simple, fast, and cost‐effective point‐of‐care diagnostic tools. However, direct analysis of complex biological fluids such as plasma has been limited by the loss of sensitivity caused by biofouling. By increasing the surface area, the nanostructured electrode can improve detection sensitivity. However, like a double‐edged sword, a large surface area increases the nonspecific adsorption of contaminating proteins. The use of nanoporous structures may prevent fouling proteins. However, there is no straightforward approach for creating nanostructured and nanoporous surfaces compatible with microfabricated thin‐film electrodes. Herein, the preferential etching of chloride and surfactant‐assisted anisotropic gold reduction to create homogeneous, nanostructured, and nanoporous gold electrodes is demonstrated, yielding a 190 ± 20 times larger surface area within a minute without using templates. This process, “surfactant‐based electrochemical etch‐deposit interplay for nanostructure/nanopore growth” (SEEDING), on electrodes enhances the sensitivity and antibiofouling capabilities of amperometric biosensors, enabling direct analysis of tumor‐derived extracellular vesicles (tEVs) in complex biofluids with a limit of detection of 300 tEVs µL−1 from undiluted plasma and good discrimination between patients with prostate cancer from healthy ones with an area under the curve of 0.91 in urine and 0.90 in plasma samples.
Defective Fe Metal–Organic Frameworks Enhance Metabolic Profiling for High‐Accuracy Diagnosis of Human Cancers
Authors: Yang Jing , Yin Xia , Zhang Longzhou , Zhang Xiwen , Lin Yue , Zhuang Linzhou , Liu Wanshan , Zhang Ru , Yan Xuecheng , Shi Li , Di Wen , Feng Lei , Jia Yi , Wang Jinlan , Qian Kun , Yao Xiangdong
Published: April 2022

Cancers heavily threaten human life; therefore, a high‐accuracy diagnosis is vital to protect human beings from the suffering of cancers. While biopsies and imaging methods are widely used as current technologies for cancer diagnosis, a new detection platform by metabolic analysis is expected due to the significant advantages of fast, simple, and cost‐effectiveness with high body tolerance. However, the signal of molecule biomarkers is too weak to acquire high‐accuracy diagnosis. Herein, precisely engineered metal–organic frameworks for laser desorption/ionization mass spectrometry, allowing favorable charge transfer within the molecule–substrate interface and mitigated thermal dissipation by adjusting the phonon scattering with metal nodes, are developed. Consequently, a surprising signal enhancement of ≈10 000‐fold is achieved, resulting in diagnosis of three major cancers (liver/lung/kidney cancer) with area‐under‐the‐curve of 0.908–0.964 and accuracy of 83.2%–90.6%, which promises a universal detection tool for large‐scale clinical diagnosis of human cancers.
Distinct UV–Visible Responsivity Enhancement of GaAs Photodetectors via Monolithic Integration of Antireflective Nanopillar Structure and UV Absorbing IGZO Layer
Authors: Liao Yikai , Zheng Yixiong , Shin Sang‐Ho , Zhao Zhi‐Jun , An Shu , Seo Jung‐Hun , Jeong Jun‐Ho , Kim Munho
Published: April 2022

Broadband ultraviolet–visible photodetection has been attracting growing research interests in fields of environment, energy, and imaging. Considering the suitable bandgap and high absorption coefficient, GaAs is one of the best candidates for ultraviolet–visible photodetection. In this work, a monolithic integration strategy of nanopillar antireflective structure and InGaZnO (IGZO) ultraviolet absorbing layer is proposed to enhance the ultraviolet–visible spectral responsivity of GaAs photodetectors. Both nanopillar topography and IGZO layer exhibit antireflective performance, leading to the enhancement of the light absorption and responsivity of the photodetectors. By the combination of nanopillar structure and IGZO layer, a distinct responsivity enhancement of more than one‐order magnitude covering 300–800 nm wavelength range is realized compared with planar GaAs photodetectors. This work offers great promises for advanced GaAs‐based ultraviolet–visible optoelectronics.
Microscale Perovskite Quantum Dot Light‐Emitting Diodes (Micro‐PeLEDs) for Full‐Color Displays
Authors: Bai Wenhao , Xuan Tongtong , Zhao Haiyan , Shi Shuchen , Zhang Xiaoyu , Zhou Tianliang , Wang Le , Xie Rong‐Jun
Published: April 2022

Group III–V semiconductor‐based microscale light‐emitting diode (micro‐LED) displays are recognized as one of the most promising display technologies with superhigh brightness and resolution, strong contrast, and superlarge color gamut but currently suffer from low efficiency, low production yield, and high cost. Here, it is proposed to realize cost‐effective and full‐color micro‐LED displays by using microscale perovskite quantum dot LEDs (micro‐PeLEDs) as emitters. Bright and uniform red‐, green‐, and blue‐emitting (RGB) micro‐PeLED arrays with each pixel size as small as 45 µm are fabricated by in situ inkjet printing a perovskite quantum dot (PeQD) emissive layer in the structure of indium tin oxide/poly(3,4‐ethylenedioxythiophene)‐poly(styrenesulfonate) (PEDOT:PSS)/poly(9‐vinylcarbazole) (PVK)/sodium dodecyl sulfate (SDS)/PeQD/1,3,5‐tris(1‐phenyl‐1H‐benzimidazol‐2‐yl)benzene (TPBi)/LiF/Al. These RGB micro‐PeLED arrays display an external quantum efficiency of 0.832%, 0.419%, and 0.052% for red, green, and blue colors, a resolution of 210 PPI, and a wide color gamut (135% of the National Television Standards Committee standard). The authors further demonstrate flexible and full‐color active‐matrix micro‐PeLED displays, which have potential applications in future ultrahigh‐definition displays, light communication, and artificial intelligence.
Tailoring Lanthanide Upconversion Luminescence through Material Designs and Regulation Strategies
Authors: Zheng Xiang , Kankala Ranjith Kumar , Liu Chen‐Guang , Wen Yuan , Wang Shi‐Bin , Chen Ai‐Zheng , Zhang Yong
Published: April 2022

The anti‐Stokes upconversion luminescence (UCL) generated from lanthanide‐doped upconversion nanoparticles (UCNPs) has been highly favorable. Nevertheless, the future success of UCNPs is critically reliant on efficient tailoring of UCL, which has always been intensively focused and comprehensively studied. Notably, in recent years, several reports propose paradigm‐shifting techniques and strategies in tailoring UCL, which greatly accelerate the development of the field. Therefore, the authors feel there is an urge to conduct an essential review and discussion on recent advances in tailoring UCL via internal material designs and external regulation strategies. The review starts with explicit discussions on the intricate material design of UCNPs, including orthogonal UCNP designs, hybrid upconversion systems, and highly doped designs. Subsequently, tailoring UCL via remote regulation strategies will be reviewed, including the upconversion manipulation with a microcavity, near‐field effect, excitation power density, heat, and polarization angle. The innovations in the UCL tailoring strategies have significantly contributed to the progression of the field. The results demonstrated in these studies can potentially trigger new experimental designs in lots of other areas and further promote the future practical application of UCNPs.
Hysteresis‐Suppressed Reversible Oxygen‐Redox Cathodes for Sodium‐Ion Batteries
Authors: Voronina Natalia , Shin Min‐Young , Kim Hee‐Jae , Yaqoob Najma , Guillon Olivier , Song Seok Hyun , Kim Hyungsub , Lim Hee‐Dae , Jung Hun‐Gi , Kim Younghak , Lee Han‐Koo , Lee Kug‐Seung , Yazawa Koji , Gotoh Kazuma , Kaghazchi Payam , Myung Seung‐Taek
Published: April 2022

Oxygen‐redox‐based cathode materials for sodium‐ion batteries (SIBs) have attracted considerable attention in recent years owing to the possibility of delivering additional capacity in the high‐voltage region. However, they still suffer from not only fast capacity fading but also poor rate capability. Herein, P2‐Na0.75[Li0.15Ni0.15Mn0.7]O2 is introduced, an oxygen‐redox‐based layered oxide cathode material for SIBs. The effect of Ni doping on the electrochemical performance is investigated by comparison with Ni‐free P2‐Na0.67[Li0.22Mn0.78]O2. The Na0.75[Li0.15Ni0.15Mn0.7]O2 delivers a specific capacity of ≈160 mAh g−1 in the voltage region of 1.5–4.6 V at 0.1 C in Na cells. Combined experiments (galvanostatic cycling, neutron powder diffraction, X‐ray absorption spectroscopy, X‐ray photoelectron spectroscopy, and nuclear magnetic resonance (7Li NMR)) and theoretical studies (density functional theory calculations) confirm that Ni substitution not only increases the operating voltage and decreases voltage hysteresis but also improves the cycling stability by reducing Li migration from transition metal to Na layers. This research demonstrates the effect of Li and Ni co‐doping in P2‐type layered materials and suggests a new strategy of using Mn‐rich cathode materials via oxygen redox with optimization of doping elements for SIBs.
Advanced Ru/Ni/WC@NPC Multi‐Interfacial Electrocatalyst for Efficient Sustainable Hydrogen and Chlor‐Alkali Co‐Production
Authors: Salah Abdulwahab , Zhang Lunan , Tan Huaqiao , Yu Feiyang , Lang Zhongling , Al‐Ansi Nabilah , Li Yangguang
Published: April 2022

Rational design and construction of a new high‐efficiency hydrogen evolution electrocatalyst operating stably under high temperature, strong alkaline, and high salt conditions are the key challenges for realizing economically sustainable hydrogen generation and low energy consumption chlor‐alkali co‐production. Herein, according to requirements of hydrogen evolution reaction (HER) electrocatalysts under chlor‐alkali electrolysis conditions, a three‐component Ru/Ni/WC electrocatalyst with a weak exothermic effect for the water adsorption step (∆HH2O = −0.12 eV), low water dissociation energy barrier (ΔGb = 0.61 eV), and close‐to‐zero Gibbs free adsorption energy (∆GH* = −0.03 eV) is designed through density functional theory calculations. Under the guidance of theoretical calculations, a novel multi‐interface composite electrocatalyst is successfully prepared, denoted as Ru/Ni/WC@NPC (Ru wt.% = 4.13%). In a strongly alkaline medium, Ru/Ni/WC@NPC (Ru wt.% = 4.13%) records an excellent HER electrocatalytic activity with a very low overpotential (η10 = −3 mV) at 20 °C and even demonstrates exciting HER behavior at 90 °C (η10 = +2.8 mV). Most importantly, the electrochemical test under simulated chlor‐alkali electrolysis condition demonstrates better HER performance than the industrial cathode material of commercial 20% Pt/C and low carbon steel. Generally, this study reveals a new strategy and reference for constructing effective and robust HER electrocatalysts that match with the chlor‐alkali industry.
Photocharging of Semiconductor Materials: Database, Quantitative Data Analysis, and Application in Organic Synthesis
Authors: Savateev Oleksandr
Published: April 2022

Photocharging or photodoping is a process in which electrons are accumulated in a semiconductor upon bandgap excitation followed by quenching of the photogenerated holes by reductants. In semiconductors with excess of electrons, negative charge is compensated by cations, of which the most ubiquitous is H+. Photocharging of semiconductors has been studied since 1980s both from a fundamental perspective and application—as source of electrons and protons for reduction of organic compounds in the dark, solar‐to‐electric energy conversion, and recently also in the design of autonomous microswimmers. In this review, experimental data collected over 40 years of research are summarized and quantified. Maximum specific concentration of electrons stored in 1 g of a semiconductor, maximum average number of electrons stored per semiconductor particle, initial rate of photocharging, and initial rate of discharging are calculated for six classes of semiconductor materials, Ti‐, Zn‐, Cd‐, In‐, W‐based and graphitic carbon nitrides. Dependence of these parameters on material specific surface area, particle volume, and other properties is analyzed and trends are derived. A public database of photocharged materials is created to facilitate design of high‐performing materials with photocharging function, their application as rechargeable reductants in organic synthesis and development of devices.
Light Management in Perovskite Photovoltaic Solar Cells: A Perspective
Authors: Berry Florian , Mermet‐Lyaudoz Raphaël , Cuevas Davila Jose Maria , Djemmah Djihad Amina , Nguyen Hai Son , Seassal Christian , Fourmond Erwann , Chevalier Céline , Amara Mohamed , Drouard Emmanuel
Published: April 2022

Light management is essential for metal‐halide perovskite solar cells to achieve record performance. In this review, criteria on materials, processes, and photonic engineering are established to enhance primarily the short circuit current density for high energy yields. These criteria are used to analyze a large panel of solutions envisaged in the literature for single junction cells. In addition, a perspective acquired from rigorous electromagnetic simulations performed on various comparable structures is introduced to clarify the results of the analyses and to pave the way for further performance enhancement in the case of all‐perovskite, two‐terminal tandem cells.
High‐Energy Ni‐Rich Cathode Materials for Long‐Range and Long‐Life Electric Vehicles
Authors: Namkoong Been , Park Nam‐Yung , Park Geon‐Tae , Shin Ji‐Yong , Beierling Thorsten , Yoon Chong S. , Sun Yang‐Kook
Published: April 2022

Li‐ion batteries (LIBs) in electric vehicles (EVs) are usually operated intermittently and maintained at high states of charge (SoCs) for long periods. Because the internal particles of Ni‐rich cathodes are easily exposed to the electrolyte at high SoCs owing to mechanical instability, the electrolyte exposure time—during which highly reactive Ni4+ ions react with the electrolyte—critically affects the degradation of the cathode. Here, 1 mol% B doping of a core–shell concentration gradient (CSG) Li[Ni0.88Co0.10Al0.02]O2 cathode (CSG‐NCA88) is shown to dramatically alter the microstructure of the cathode and effectively protect the particle interior from parasitic electrolyte attack. The B‐doped CSG‐NCA88 cathode, CSG‐NCAB87, maintains its original microstructure even after holding for 500 h in the fully charged state, whereas irreversible structural damage occurs in the pristine CSG‐NCA88 cathode during the prolonged electrolyte exposure. The long‐term cycling results confirm that the capacity retention of the cathodes is determined by the electrolyte exposure time at a high SoC and that microstructural modification can effectively suppress the time‐dependent degradation from electrolyte attack. The proposed CSG‐NCAB87 cathode can be utilized at full capacity without restricting the SoC, thus realizing the development of economical high‐energy‐density LIBs.
Segregation and intermixing in polydisperse liquid–solid fluidized beds: A multifluid model validation study
Authors: Tiwari Shashank S. , Ghatage Swapnil V. , Joshi Jyeshtharaj B. , Kong Bo
Published: April 2022

Multifluid model (MFM) simulations have been carried out on liquid–solid fluidized beds (LSFB) consisting of binary and higher‐order polydisperse particle mixtures. The role of particle–particle interactions was found to be as crucial as the drag force under laminar and homogenous LSFB flow regimes. The commonly used particle–particle closure models are designed for turbulent and heterogeneous gas–solid flow regimes and thus exhibit limited to no success when implemented for LSFB operating under laminar and homogenous conditions. A need is perceived to carry out direct numerical simulations of liquid–solid flows and extract data from them to develop rational closure terms to account for the physics of LSFB. Finally, a recommendation flow regime map signifying the performance of the MFM has been proposed. This map will act as a potential guideline to identify whether or not the bed expansion characteristics of a given polydisperse LSFB can be correctly simulated using MFM closures tested.
The immature Homo naledi ilium from the Lesedi Chamber, Rising Star Cave, South Africa
Authors: Cofran Zachary , VanSickle Caroline , Valenzuela Reynaldo , García‐Martínez Daniel , Walker Christopher S. , Hawks John , Zipfel Bernhard , Williams Scott A. , Berger Lee R.
Published: April 2022

Objectives

Homo naledi is represented by abundant remains from the Dinaledi Chamber of the Rising Star Cave system in South Africa. While pelvic elements from the Dinaledi Chamber of the cave are fragmentary, a relatively complete ilium (U.W. 102a–138) was recovered from the Lesedi Chamber. We reconstructed and analyzed the Lesedi ilium, providing qualitative descriptions and quantitative assessment of its morphology and developmental state.

Materials and Methods

We compared the Lesedi ilium to remains from the Dinaledi Chamber, other South African hominin fossils, and an ontogenetic series of human ilia. We used the Dinaledi adults as a guide for reconstructing the Lesedi ilium. To assess development of the Lesedi ilium, we compared immature/mature proportional ilium height for fossils and humans. We used 3D geometric morphometrics (GMs) to examine size and shape variation among this sample.

Results

The Lesedi ilium showed incipient development of features expressed in adult H. naledi ilia. The proportional height of the Lesedi ilium was within the range of human juveniles between 4–11 years of age. GM analyses showed that the Lesedi ilium had an iliac blade shape similar to those of australopiths and an expanded auricular surface more similar to humans.

Conclusions

The reconstructed Lesedi specimen represents the best preserved ilium of H. naledi, confirming the australopith‐like iliac blade morphology first hypothesized in adult specimens, and establishing that this anatomy was present early in this species' ontogeny. In contrast to australopiths, the Lesedi ilium displays an enlarged sacroiliac joint, the significance of which requires further investigation.
Quantification of amyloid beta and tau PET without a structural MRI
Authors: Landau Susan M. , Ward Tyler J. , Murphy Alice , Iaccarino Leonardo , Harrison Theresa M. , La Joie Renaud , Baker Suzanne , Koeppe Robert A. , Jagust William J. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: April 2022

Introduction

Relying on magnetic resonance imaging (MRI) for quantification of positron emission tomography (PET) images may limit generalizability of the results. We evaluated several MRI‐free approaches for amyloid beta (Aβ) and tau PET quantification relative to MRI‐dependent quantification cross‐sectionally and longitudinally.

Methods

We compared baseline MRI‐free and MRI‐dependent measurements of Aβ PET ([18F]florbetapir [FBP], N = 1290, [18F]florbetaben [FBB], N = 290) and tau PET ([18F]flortaucipir [FTP], N = 768) images with respect to continuous and dichotomous agreement, effect sizes of Aβ+ impaired versus Aβ– unimpaired groups, and longitudinal standardized uptake value ratio (SUVR) slopes in a subset of individuals.

Results

The best‐performing MRI‐free approaches had high continuous and dichotomous agreement with MRI‐dependent SUVRs for Aβ PET and temporal flortaucipir (R2 ≥0.95; ± agreement ≥92%) and for Alzheimer's disease–related effect sizes; agreement was slightly lower for entorhinal flortaucipir and longitudinal slopes.

Discussion

There is no consistent loss of baseline or longitudinal AD‐related signal with MRI‐free Aβ and tau PET image quantification.
Use of blood pressure measurements extracted from the electronic health record in predicting Alzheimer's disease: A retrospective cohort study at two medical centers
Authors: Tjandra Donna , Migrino Raymond Q. , Giordani Bruno , Wiens Jenna
Published: April 2022

Introduction

Studies investigating the relationship between blood pressure (BP) measurements from electronic health records (EHRs) and Alzheimer's disease (AD) rely on summary statistics, like BP variability, and have only been validated at a single institution. We hypothesize that leveraging BP trajectories can accurately estimate AD risk across different populations.

Methods

In a retrospective cohort study, EHR data from Veterans Affairs (VA) patients were used to train and internally validate a machine learning model to predict AD onset within 5 years. External validation was conducted on patients from Michigan Medicine (MM).

Results

The VA and MM cohorts included 6860 and 1201 patients, respectively. Model performance using BP trajectories was modest but comparable (area under the receiver operating characteristic curve [AUROC] = 0.64 [95% confidence interval (CI) = 0.54–0.73] for VA vs. AUROC = 0.66 [95% CI = 0.55–0.76] for MM).

Conclusion

Approaches that directly leverage BP trajectories from EHR data could aid in AD risk stratification across institutions.
Early Predictors of Clinical andMRIOutcomes UsingLeast Absolute Shrinkage and Selection Operator (LASSO)in Multiple Sclerosis
Authors: Bose Gauruv , Healy Brian C. , Lokhande Hrishikesh A. , Sotiropoulos Marinos G. , Polgar‐Turcsanyi Mariann , Anderson Mark , Glanz Bonnie I. , Guttman Charles R. G. , Bakshi Rohit , Weiner Howard L. , Chitnis Tanuja
Published: April 2022

Objective

The objective of this study was to identify predictors in common between different clinical and magnetic resonance imaging (MRI) outcomes in multiple sclerosis (MS) by comparing predictive models.

Methods

We analyzed 704 patients from our center seen at MS onset, measuring 37 baseline demographic, clinical, treatment, and MRI predictors, and 10‐year outcomes. Our primary aim was identifying predictors in common among clinical outcomes: aggressive MS, benign MS, and secondary‐progressive (SP)MS. We also investigated MRI outcomes: T2 lesion volume (T2LV) and brain parenchymal fraction (BPF). The performance of the full 37‐predictor model was compared with a least absolute shrinkage and selection operator (LASSO)‐selected model of predictors in common between each outcome by the area under the receiver operating characteristic curves (AUCs).

Results

The full 37‐predictor model was highly predictive of clinical outcomes: in‐sample AUC was 0.91 for aggressive MS, 0.81 for benign MS, and 0.81 for SPMS. After variable selection, 10 LASSO‐selected predictors were in common between each clinical outcome: age, Expanded Disability Status Scale, pyramidal, cerebellar, sensory and bowel/bladder signs, timed 25‐foot walk ≥6 seconds, poor attack recovery, no sensory attacks, and time‐to‐treatment. This reduced model had comparable cross‐validation AUC as the full 37‐predictor model: 0.84 versus 0.81 for aggressive MS, 0.75 versus 0.73 for benign MS, and 0.76 versus 0.75 for SPMS, respectively. In contrast, 10‐year MRI outcomes were more strongly influenced by initial T2LV and BPF than clinical outcomes.

Interpretation

Early prognostication of MS is possible using LASSO modeling to identify a limited set of accessible clinical features. These predictive models can be clinically usable in treatment decision making once implemented into web‐based calculators. ANN NEUROL 2022;92:87–96
Motor Progression and Nigrostriatal Neurodegeneration in Parkinson Disease
Authors: Furukawa Koji , Shima Atsushi , Kambe Daisuke , Nishida Akira , Wada Ikko , Sakamaki Haruhi , Yoshimura Kenji , Terada Yuta , Sakato Yusuke , Mitsuhashi Masahiro , Sawamura Masanori , Nakanishi Etsuro , Taruno Yosuke , Yamakado Hodaka , Fushimi Yasutaka , Okada Tomohisa , Nakamoto Yuji , Takahashi Ryosuke , Sawamoto Nobukatsu
Published: April 2022

Objective

The motor severity in Parkinson disease (PD) is believed to parallel dopaminergic terminal degeneration in the striatum, although the terminal was reported to be virtually absent by 4 years postdiagnosis. Meanwhile, neuromelanin‐laden dopamine neuron loss in the substantia nigra (SN) elucidated a variability at early stages and gradual loss with less variability 10 years postdiagnosis. Here, we aimed to clarify the correlation between motor impairments and striatal dopaminergic terminal degeneration and nigral neuromelanin‐laden dopamine neuron loss at early to advanced stages of PD.

Methods

Ninety‐three PD patients were divided into early and advanced subgroups based on motor symptom duration and whether motor fluctuation was present. Striatal dopaminergic terminal degeneration was evaluated using a presynaptic dopamine transporter tracer, 123I‐ioflupane single photon emission computed tomography (SPECT). Nigral neuromelanin‐laden dopamine neuron density was assessed by neuromelanin‐sensitive magnetic resonance imaging (NM‐MRI).

Results

In patients with early stage PD (motor symptoms for ≤8 or 10 years), motor dysfunction during the drug‐off state was paralleled by a decline in 123I‐ioflupane uptake in the striatum despite the absence of a correlation with reductions in NM‐MRI signals in SN. Meanwhile, in patients with advanced stage PD (motor symptoms for >8 or 10 years and with fluctuation), the degree of motor deficits during the drug‐off state was not correlated with 123I‐ioflupane uptake in the striatum, despite its significant negative correlation with NM‐MRI signals in SN.

Interpretation

We propose striatal dopaminergic terminal loss measured using 123I‐ioflupane SPECT and nigral dopamine neuron loss assessed with NM‐MRI as early stage and advanced stage motor impairment biomarkers, respectively. ANN NEUROL 2022;92:110–121
Electronically Engineering Water Resistance in Methane Combustion with an Atomically Dispersed Tungsten on PdO Catalyst
Authors: Hou Zhiquan , Dai Lingyun , Deng Jiguang , Zhao Guofeng , Jing Lin , Wang Yueshuai , Yu Xiaohui , Gao Ruyi , Tian Xinrong , Dai Hongxing , Wang Dingsheng , Liu Yuxi
Published: April 2022

Improving the low‐temperature water‐resistance of methane combustion catalysts is of importance for industrial applications and it is challenging. A stepwise strategy is presented for the preparation of atomically dispersed tungsten species at the catalytically active site (Pd nanoparticles). After an activation process, a Pd−O−W1‐like nanocompound is formed on the PdO surface with an atomic scale interface. The resulting supported catalyst has much better water resistance than the conventional catalysts for methane combustion. The integrated characterization results confirm that catalytic combustion of methane involves water, proceeding via a hydroperoxyl‐promoted reaction mechanism on the catalyst surface. The results of density functional theory calculations indicate an upshift of the d‐band center of palladium caused by electron transfer from atomically dispersed tungsten, which greatly facilitates the adsorption and activation of oxygen on the catalyst.
Synergistic combination: Promising nanoplatform W‐POM NCs@ HKUST‐1 for photothermal and chemodynamic reinforced anti‐tumor therapy
Authors: Liu Jiale , Huang Mengyao , Hua Zhongyu , Ni Jiatong , Dong Yi , Feng Zeran , Sun Tiedong , Chen Chunxia
Published: April 2022

Chemodynamic therapy (CDT) uses the conversion of H2O2 to ·OH triggered by Fenton‐like reactions to treat tumors, but the treatment is not complete due to insufficient intracellular H2O2 content. Photothermal therapy (PTT) uses photothermal materials for photothermal conversion to kill tumors, but it is limited by the extent of exogenous light transmission and cannot achieve satisfactory therapeutic effects. Therefore, designing a composite nanomaterial that amplifies CDT and couples it with PTT for tumor treatment is a major challenge. Herein, we designed a W‐POM NCs@HKUST‐1 nanoplatform that combines PTT and CDT and has better targeting properties. It shows high stability and photothermal conversion efficiency under the irradiation of near‐infrared light and efficiently catalyzes the generation of intracellular hydroxyl radicals, this composite material exhibits higher lethality than single therapeutic strategies. This study expands the application area of POM@MOF composite nanomaterials and provides a promising means of enhanced tumor therapy.
Rheological, flame retardancy, and thermomechanical properties of polymethyl methacrylate composites: Effects of flame retardant and toughener
Authors: Yang Bin , Xu Xiang , Shi Zhiqiang , Wang Siyu , Chen Xinya , Wang Tiange , Ke Yuchao , Zheng Zhengzhi , Su Lifen , Qian Jiasheng , Xia Ru , Jiang Tao
Published: April 2022

In this work, polymethyl methacrylate (PMMA) composites modified with diethylaluminum phosphonate (ADP) and epoxy resin (EP) as flame retardant and toughener, respectively, were prepared via solution method for improvement on both flame retardancy and toughening purposes. The effects of ADP and EP loadings on the viscoelastic, flame retardant and thermomechanical behaviors of the resultant composites were intensively investigated using rheometer, CONE calorimetry, oxygen index (LOI) and dynamic mechanical thermal analysis (DMTA), respectively. Heat flux complexity was obviously displayed when ADP and EP loadings increased. DMTA result showed that the increase of the modulus of the composites was primarily due to an interpenetrating polymer network (IPN) formed by the addition of EP, and the tensile properties were found to be greatly improved. In addition, our study also showed that at an ADP loading of 28% the maximum heat release rate (pHRR) of composites decreased by 63% as compared to neat PMMA with increase by 88% in LOI and V‐0 grade in UL‐94 test achieved. The composites prepared in this study bore excellent fire performance together with desired toughness, and the current work thus has practical significance for further expanding the application range of PMMA composites.
The existential threat of nuclear war: A psychoanalytic comment1
Authors: Ramzy Nadia
Published: April 2022

Utilizing primarily the information and data compiled by both the editorial board of The Bulletin of the Atomic Scientists as well as that of former nuclear war planner, Daniel Ellsberg, this paper discusses a number of heretofore classified or little publicly known dimensions of the nuclear war planning of the United States and other nuclear armed nation states, including policies of first use and command and control, the occurrence of false alarms and accidents, and the dynamics of nuclear detonation that would result in nuclear winter and worldwide famine. As such, the focus on these topics is an attempt to ameliorate both our shared ignorance regarding the once again growing threat of nuclear war, and its consequence—nuclear winter, as well as, the tendency of large groups to engage in collective denial in relation to thinking about the unthinkable, utilizing a definition from psychoanalysis of the defense mechanism of denial.
Chirality Induction in a Hydrophilic Metallohelicate
Authors: Morie Masayuki , Sekiya Ryo , Haino Takeharu
Published: April 2022

The title compound is a water‐soluble triply stranded metallohelicate 1Fe composed of TEG‐chain‐installed calix[4]arene‐based bis‐bidentate ligands and Fe3+ cations. This compound can incorporate up to two molecules of small chiral cations (G1 and G2). Interestingly, G1 shows positive cooperativity for host‐guest complexation, whereas G2 exhibits noncooperativity, despite having a greater affinity for 1Fe than G1. Density functional theory (DFT) calculations indicate the metallohelicate cavity expands upon encapsulation of the first guest. This conformational change facilitates the entrapment of the second guest and explains why the interaction parameters of G1 and G2 are larger than 1, despite electrostatic repulsion between the guests. The DFT calculation predicts an intermolecular interaction between the phenyl groups of G1 in the cavity, whereas no such interaction is found for G2. This difference can explain the distinct molecular recognition of G1 and G2. CD spectroscopy shows that both (R)‐G1 and (R)‐G2 induce (M)‐helicity in 1Fe and vice versa. DFT calculations suggest that the chirality of the guests is transmitted to 1Fe via CH/O hydrogen bonds between the guest and the C=O bond on the calix[4]arene strand. The CD intensity of 1Fe is nonlinear in the ee% of (R)‐ and (S)‐G1, indicating that the presence of the first guest increases the affinity of 1Fe toward a second guest with the same chirality due to preorganization by the first guest.
Semiparametric empirical likelihood inference for abundance from one‐inflated capture–recapture data
Authors: Liu Yang , Li Pengfei , Liu Yukun , Zhang Riquan
Published: April 2022

Abundance estimation from capture–recapture data is of great importance in many disciplines. Analysis of capture–recapture data is often complicated by the existence of one‐inflation and heterogeneity problems. Simultaneously taking these issues into account, existing abundance estimation methods are usually constructed on the basis of conditional likelihood under one‐inflated zero‐truncated count models. However, the resulting Horvitz–Thompson‐type estimators may be unstable, and the resulting Wald‐type confidence intervals may exhibit severe undercoverage. In this paper, we propose a semiparametric empirical likelihood (EL) approach to abundance estimation under one‐inflated binomial and Poisson regression models. To facilitate the computation of the EL method, we develop an expectation‐maximization algorithm. We also propose a new score test for the existence of one‐inflation and prove its asymptotic normality. Our simulation studies indicate that compared with existing estimators, the proposed score test is more powerful and the maximum EL estimator has a smaller mean square error. The advantages of our approaches are further demonstrated by analyses of prinia data from Hong Kong and drug user data from Bangkok.
Integrated analysis of single‐cell RNA‐seq dataset and bulk RNA‐seq dataset constructs a prognostic model for predicting survival in human glioblastoma
Authors: Lai Wenwen , Li Defu , Kuang Jie , Deng Libin , Lu Quqin
Published: April 2022

Background

Glioblastoma (GBM) is the most common primary malignant brain tumor in adults. For patients with GBM, the median overall survival (OS) is 14.6 months and the 5‐year survival rate is 7.2%. It is imperative to develop a reliable model to predict the survival probability in new GBM patients. To date, most prognostic models for predicting survival in GBM were constructed based on bulk RNA‐seq dataset, which failed to accurately reflect the difference between tumor cores and peripheral regions, and thus show low predictive capability. An effective prognostic model is desperately needed in clinical practice.

Methods

We studied single‐cell RNA‐seq dataset and The Cancer Genome Atlas‐glioblastoma multiforme (TCGA‐GBM) dataset to identify differentially expressed genes (DEGs) that impact the OS of GBM patients. We then applied the least absolute shrinkage and selection operator (LASSO) Cox penalized regression analysis to determine the optimal genes to be included in our risk score prognostic model. Then, we used another dataset to test the accuracy of our risk score prognostic model.

Results

We identified 2128 DEGs from the single‐cell RNA‐seq dataset and 6461 DEGs from the bulk RNA‐seq dataset. In addition, 896 DEGs associated with the OS of GBM patients were obtained. Five of these genes (LITAF, MTHFD2, NRXN3, OSMR, and RUFY2) were selected to generate a risk score prognostic model. Using training and validation datasets, we found that patients in the low‐risk group showed better OS than those in the high‐risk group. We validated our risk score model with the training and validating datasets and demonstrated that it can effectively predict the OS of GBM patients.

Conclusion

We constructed a novel prognostic model to predict survival in GBM patients by integrating a scRNA‐seq dataset and a bulk RNA‐seq dataset. Our findings may advance the development of new therapeutic targets and improve clinical outcomes for GBM patients.
Bridging structural and functional biomarkers in functional movement disorder using network mapping
Authors: Sojka Petr , Slovák Matěj , Věchetová Gabriela , Jech Robert , Perez David L. , Serranová Tereza
Published: April 2022

Background

 There are gaps in our neurobiological understanding of functional movement disorder (FMD).

Objectives

We investigated gray matter volumetric profiles in FMD, and related findings to resting‐state functional connectivity (rsFC) profiles using Human Connectome Project data.

Methods

Volumetric differences between 53 FMD patients and 50 controls were examined, as well as relationships between individual differences in FMD symptom severity and volumetric profiles. Atrophy network mapping was also used to probe whether FMD‐related structural alterations preferentially impacted brain areas with dense rsFC.

Results

Compared to controls without neurological comorbidities (albeit with mild depression and anxiety as a group), the FMD cohort did not show any volumetric differences. Across patients with FMD, individual differences in symptom severity negatively correlated with right supramarginal and bilateral superior temporal gyri volumes. These findings remained significant adjusting for FMD subtype or antidepressant use, but did not remain statistically significant adjusting for depression and anxiety scores. Symptom severity‐related structural alterations mapped onto regions with dense rsFC—identifying several disease epicenters in default mode, ventral attention, and salience networks.

Conclusions

This study supports that FMD is a multinetwork disorder with an important role for the temporoparietal junction and its related connectivity in the pathophysiology of this condition. More research is needed to explore the intersection of functional neurological symptoms and mood.
Quality of life predicts rehabilitation prognosis in Parkinson's disease patients
Authors: Meng Detao , Jin Zhaohui , Chen Keke , Yu Xin , Wang Yixuan , Du Wenjun , Wei Jingran , Xi Jianing , Fang Boyan
Published: April 2022

Background

Rehabilitation has been reported to improve the quality of life (QoL) of patients with Parkinson's disease (PD). Nevertheless, not all patients are satisfied with rehabilitation outcomes and could achieve a significant improvement in QoL.

Objective

To detect possible predictors of QoL improvement in patients with PD after rehabilitation.

Methods

A total of 86 PD patients were included and followed up for 3 months with a 39‐item Parkinson's Disease Questionnaire summary index (PDQ‐39 SI) as the primary endpoint. All patients received 2 weeks of multidisciplinary intensive rehabilitation treatment (MIRT). Changes in patients' QoL were assessed using the PDQ‐39 at baseline and at the 3‐month follow‐up. The reliable change index (RCI) was adapted to determine the individual QoL outcome. The predictors of QoL outcome were detected using logistic regression analysis.

Results

After a 3‐month follow‐up, PDQ‐39 SI decreased significantly from 22.95 ± 9.75 to 18.73 ± 10.32 (P < 0.001). Scores for QoL improved (RCI>10.9) after rehabilitation for 18.6% of the patients, and 74.4% of patients reported an unchanged QoL (−10.9≤RCI≤10.9), while 7.0% of patients reported a worsening of QoL (RCI<−10.9). Among the baseline parameters, the PDQ‐39 SI was a baseline predictor for changes in QoL in the logistic regression model (OR: 1.15, CI: 1.07–1.24, P < 0.001).

Conclusions

MIRT could improve QoL for some patients with PD, and PDQ‐39 score at baseline is the most important predictor for QoL improvements after rehabilitation for this patients.