bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of Parkinson’s disease PACE subtypes and repurposing treatments through integrative analyses of multimodal data
Authors: Su Chang , Hou Yu , Xu Jielin , Xu Zhenxing , Zhou Manqi , Ke Alison , Li Haoyang , Xu Jie , Brendel Matthew , Maasch Jacqueline R. M. A. , Bai Zilong , Zhang Haotan , Zhu Yingying , Cincotta Molly C. , Shi Xinghua , Henchcliffe Claire , Leverenz James B. , Cummings Jeffrey , Okun Michael S. , Bian Jiang , Cheng Feixiong , Wang Fei
Published: July 2024

Parkinson’s disease (PD) is a serious neurodegenerative disorder marked by significant clinical and progression heterogeneity. This study aimed at addressing heterogeneity of PD through integrative analysis of various data modalities. We analyzed clinical progression data (≥5 years) of individuals with de novo PD using machine learning and deep learning, to characterize individuals’ phenotypic progression trajectories for PD subtyping. We discovered three pace subtypes of PD exhibiting distinct progression patterns: the Inching Pace subtype (PD-I) with mild baseline severity and mild progression speed; the Moderate Pace subtype (PD-M) with mild baseline severity but advancing at a moderate progression rate; and the Rapid Pace subtype (PD-R) with the most rapid symptom progression rate. We found cerebrospinal fluid P-tau/α-synuclein ratio and atrophy in certain brain regions as potential markers of these subtypes. Analyses of genetic and transcriptomic profiles with network-based approaches identified molecular modules associated with each subtype. For instance, the PD-R-specific module suggested STAT3, FYN, BECN1, APOA1, NEDD4, and GATA2 as potential driver genes of PD-R. It also suggested neuroinflammation, oxidative stress, metabolism, PI3K/AKT, and angiogenesis pathways as potential drivers for rapid PD progression (i.e., PD-R). Moreover, we identified repurposable drug candidates by targeting these subtype-specific molecular modules using network-based approach and cell line drug-gene signature data. We further estimated their treatment effects using two large-scale real-world patient databases; the real-world evidence we gained highlighted the potential of metformin in ameliorating PD progression. In conclusion, this work helps better understand clinical and pathophysiological complexity of PD progression and accelerate precision medicine.
Estimating the total variance explained by whole-brain imaging for zero-inflated outcomes
Authors: Ren Junting , Loughnan Robert , Xu Bohan , Thompson Wesley K. , Fan Chun Chieh
Published: July 2024

There is a dearth of statistical models that adequately capture the total signal attributed to whole-brain imaging features. The total signal is often widely distributed across the brain, with individual imaging features exhibiting small effect sizes for predicting neurobehavioral phenotypes. The challenge of capturing the total signal is compounded by the distribution of neurobehavioral data, particularly responses to psychological questionnaires, which often feature zero-inflated, highly skewed outcomes. To close this gap, we have developed a novel Variational Bayes algorithm that characterizes the total signal captured by whole-brain imaging features for zero-inflated outcomes. Our zero-inflated variance (ZIV) estimator estimates the fraction of variance explained (FVE) and the proportion of non-null effects (PNN) from large-scale imaging data. In simulations, ZIV demonstrates superior performance over other linear models. When applied to data from the Adolescent Brain Cognitive DevelopmentSM (ABCD) Study, we found that whole-brain imaging features contribute to a larger FVE for externalizing behaviors compared to internalizing behaviors. Moreover, focusing on features contributing to the PNN, ZIV estimator localized key neurocircuitry associated with neurobehavioral traits. To the best of our knowledge, the ZIV estimator is the first specialized method for analyzing zero-inflated neuroimaging data, enhancing future studies on brain-behavior relationships and improving the understanding of neurobehavioral disorders.
Exploring polymorphism, stoichiometric diversity and simultaneous existence of salt and cocrystal during cocrystallization using mechanochemistry
Authors: Gogoi Diptajyoti , Kalita Kalyan J. , Biswakarma Nishant , Arhangelskis Mihails , Deka Ramesh Ch , Thakuria Ranjit
Published: July 2024

We demonstrate here the mechanochemical cocrystallization of trans-aconitic acid with nicotinamide that resulted salt and cocrystal forms with stoichiometric diversity, polymorphism and high Z′′.
Delivery of rapamycin by biomimetic peptide nanoparticles targeting oxidized low-density lipoprotein in atherosclerotic plaques
Authors: Wang Anqi , Yue Kai , Zhong Weishen , Zhang Genpei , Wang Lei , Zhang Hua , Zhang Xinxin
Published: July 2024

Multifunctional peptides can effectively load RAPA and target oxLDL within plaques, suggesting that these peptides have potential as therapeutic agents for atherosclerotic disease.
Adsorbents for hydrogen-bond accepting hazardous chemicals by post-synthetic modification of UiO-66-NH2
Authors: Corbin Daniel A. , Papantonakis Michael R. , Nguyen Viet K. , Breshike Christopher J. , McGill R. Andrew
Published: July 2024

UiO-66 metal–organic frameworks are functionalized with hydrogen-bond donating functional groups to create adsorbents for organophosphate chemicals.
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site fromTrametes versicolor: the case of benzo[a]pyrene and anthracene
Authors: Orlando Carla , Rizzo Isabella Cecilia , Arrigoni Federica , Zampolli Jessica , Mangiagalli Marco , Di Gennaro Patrizia , Lotti Marina , De Gioia Luca , Marino Tiziana , Greco Claudio , Bertini Luca
Published: July 2024

The reactivity of laccases towards non-phenolic polycyclic aromatic hydrocarbons remains unclear. Using molecular modelling the oxidation of anthracene and benzo[a]pyrene by Trametes versicolor fungal laccase is investigated.
Understanding the morphological evolution of anodic tantalum oxide nanostructures in acidic medium
Authors: Mohapatra Biswaranjan D. , Pawlik Kinga , Darowska Izabela , Gondek Łukasz , Pisarek Marcin , Sulka Grzegorz D.
Published: July 2024

This paper shows the effect of anodizing conditions on the chemical composition and morphology of ATO nanostructures, and discusses the kinetics of ATO growth by applying various growth models.
Antitubercular evaluation of dihydropyridine–triazole conjugates: design, synthesis, in vitro screening, SAR and in silico ADME predictions
Authors: Kushawaha Ajay Kishor , Jaiswal Arvind Kumar , Gupta Jay , Katiyar Sarita , Ansari Alisha , Bhatt Hemlata , Sharma Sandeep K. , Choudhury Abhijit Deb , Bhatta Rabi Sankar , Singh Bhupendra N. , Sashidhara Koneni V.
Published: July 2024

The synthesis of a novel series of 32 dihydropyridine–triazole conjugates using click chemistry and their antitubercular activity, structure–activity relationship (SAR) analysis, and ADME predictions are discussed.
Oxidative stress modulating nanomaterials and their biochemical roles in nanomedicine
Authors: Patel Kapil D. , Keskin-Erdogan Zalike , Sawadkar Prasad , Nik Sharifulden Nik Syahirah Aliaa , Shannon Mark Robert , Patel Madhumita , Silva Lady Barrios , Patel Rajkumar , Chau David Y. S. , Knowles Jonathan C. , Perriman Adam W. , Kim Hae-Won
Published: July 2024

Many pathological conditions are predominantly associated with oxidative stress, arising from reactive oxygen species (ROS); therefore, the modulation of redox-activities has been a key strategy to restore normal tissue functions.
3D printed hydrogel network regulation based on macroinitiator-induced rapid photoATRP
Authors: Si Menghan , Zhou Mengjie , Zhang Wenjie , Shi Ge , He Yanjie , Qiao Xiaoguang , Fan Weihua , Pang Xinchang
Published: July 2024

Macroinitiator (PHEA-Br) was successfully applied to 3D printing of hydrogels using photoATRP technology. The macroinitiator induced the building of physical entanglements in the main chemical crosslinking framework.
Hetero-nanojunction armored with carbon layer for boosting water oxidation over RuO2 in acid
Authors: Shang Fanfan , He Huijie , Lin Yuan , An Bei , Cai Hairui , Li Xiaoqian , Wang Weitong , Liang Chao , Yang Shengchun , Wang Bin
Published: July 2024

The regulated electronic structure of RuO2 by the Co3O4|RuO2 nanojunction, together with the carbon coating layer that acts as chain mail, lead to excellent OER performance of (Co3O4|RuO2)@C.
[Sn3OF]PO4vs. [Sn3F3]PO4: enhancing birefringence by breaking the R3 symmetry and realigning lone pairs
Authors: Hu Yuhan , Xu Xi , Wang Ruixi , Han Jingyun , Zhang Shunsong , Zhan Shuhui , Guo Jingyu , Wu Li-Ming , Chen Ling
Published: July 2024

The novel tin(ii) phosphate compound [Sn3OF]PO4 exhibits significantly greater birefringence compared with [Sn3F3]PO4 (Δnobv. = 0.117 versus 0.027@546 nm), achieved by breaking the undesirable symmetry and reorienting stereochemically active lone pairs.
A WS2/Co9S8 heterostructure with a carbon layer anchored in nitrogen-doped graphene foam as an anode for boosting lithium storage
Authors: Chen Guijie , Jiang Xinyue , Huang Chen , Zhang Junye , Wang Mingyi , Tan Wenqi , Qin Likang , Wang Linlin , Lu Shigang , Chen Luyang
Published: July 2024

A self-supporting electrode with a WS2/Co9S8 heterogeneous structure accelerates electron transportation and demonstrates remarkable electrochemical performance for Li+ storage.
Chiral phosphoric acid-catalyzed enantioselective synthesis of biphenyl-bridged ε-sultams via the Friedel–Crafts reactions of cyclic N-sulfonylimines with indolizines
Authors: Li Qian , Xu Yuan-Yuan , Feng Bi-Xi , Wang Tao , Wang You-Qing
Published: July 2024

An asymmetric aza-Friedel–Crafts arylation of biphenyl-bridged seven-membered cyclic N-sulfonylimines with indolizines via chiral phosphoric acid is realized, affording chiral indolizine modified ε-sultams with up to 99% yield and 99% ee.
Zwitterion detection with a fluorescent squaramide cryptand: a study on size-dependent salt recognition and sensing
Authors: Zaleskaya-Hernik Marta , Wilczek Marcin , Dobrzycki Łukasz , Romański Jan
Published: July 2024

Size-dependent recognition was achieved by mechanochemical-assisted solid–liquid extraction of amino acids using a squaramide-based cryptand.
Selective hydrogenation of CO2 to formic acid with higher yield in an aqueous medium with a nano-nickel-metal catalyst: reaction parameter optimization by response surface methodology (RSM)
Authors: Ranjan Rajeev , Biswas Prakash , Pant K. K.
Published: July 2024

A nano-nickel catalyst (∼21 nm) was synthesized for CO2 conversion to formic acid (FA). FA selectivity was ∼100% with a formation rate of 2245 μmol g−1 h−1. Na2CO3 acted as a promoter which enhanced CO2 adsorption and FA yield.
Quantitative analysis of protein lipidation and acyl-CoAs reveals substrate preferences of the S-acylation machinery
Authors: Busquets-Hernández Carla , Ribó Silvia , Gratacós-Batlle Esther , Carbajo Daniel , Tsiotsia Alexandra , Blanco-Canosa Juan B. , Chamberlain Luke H. , Triola Gemma
Published: July 2024

Hydroxylamine treatment of lipidated proteins combined with mass spectrometry analysis of the released fatty acid hydroxamates show that the S-acylome is heterogeneous and its composition does not fully resemble the acyl-CoAs pools.
Asymmetric total syntheses of sarglamides A, C, D, E, and F
Authors: Kim Ryungwoo , Wu Yanting , Tong Rongbiao
Published: July 2024

The first collective total synthesis of sarglamides A, C, D, E, and F is achieved in 6–7 steps by exploiting the bio-inspired Diels–Alder reaction and one-pot reductive amination/aza-Michael addition or cycloetherification/transamination.
Co-Expression of type 1 fimbriae and flagella in Escherichia coli: consequences for adhesion at interfaces
Authors: Ramesh Kumar Udayanidhi , Nguyen Nam T. , Dewangan Narendra K. , Mohiuddin Sayed Golam , Orman Mehmet A. , Cirino Patrick C. , Conrad Jacinta C.
Published: July 2024

Interfacial adhesion of E. coli and motion actuated by adherent bacteria can be tuned by controlling the co-expression of fimbriae and flagella.
Conductive 2D dithiolene MOF-based electrodes for low-temperature high-performance energy storage
Authors: Wang Bing , Song Wen-Wei , Liu Lin , Gu Xue-Jun , Han Zheng-Bo , Liang Fu-Shun , Wang Shi-Ming
Published: July 2024

Two hierarchical porous conductive MOF-based electrodes show high capacitance retention when working at −60 °C. This represents an unprecedented MOF electrode material used in the field of low-temperature energy storage.
Metal–organic framework-derived single-atom catalysts for electrocatalytic energy conversion applications
Authors: Cui Mingjin , Xu Bo , Shi Xinwei , Zhai Qingxi , Dou Yuhai , Li Guisheng , Bai Zhongchao , Ding Yu , Sun Wenping , Liu Huakun , Dou Shixue
Published: July 2024

Single-atom catalysts (SACs) derived from metal–organic frameworks (MOFs) are revolutionizing electrocatalytic energy conversion.
Enhancing electron transport through metal oxide adjustments in perovskite solar cells and their suitability for X-ray detection
Authors: Li Xin , Aftab Sikandar , Liu Hailiang , Vikraman Dhanasekaran , Hussain Sajjad , Al-Kahtani Abdullah A. , Koyyada Ganesh , Kang Jungwon , Akman Erdi
Published: July 2024

Inverted planar perovskite solar cells with PCBM ETL have poor film formation and charge transfer. Adding MgO improves photoluminescence, carrier lifetime, and efficiency to 15.12%, and enhances X-ray detector performance.
A Consensus to Revise the Minimum Speech Test Battery–Version 3
Authors: Dunn Camille C. , Zwolan Teresa A. , Balkany Thomas J. , Strader Heather L. , Biever Allison , Gifford René H. , Hall Melissa W. , Holcomb Meredith A. , Hill Heidi , King English R. , Larky Jannine , Presley Regina , Reed Meaghan , Shapiro William H. , Sydlowski Sarah A. , Wolfe Jace
Published: July 2024

Purpose:

The Minimum Speech Test Battery (MSTB) for adults was introduced in 1996 (Nilsson et al., 1996) and subsequently updated in 2011 (Advanced-Bionics et al., 2011). The MSTB has been widely used by clinicians as a guide for cochlear implant (CI) candidacy evaluations and to document post-operative speech recognition performance. Due to changes in candidacy over the past 10 years, a revision to the MSTB was needed.

Method:

In 2022, the Institute for Cochlear Implant Training (ICIT) recruited a panel of expert CI audiologists to update and revise the MSTB. This panel utilized a modified Delphi consensus process to revise the test battery and to improve its applicability considering recent changes in CI care.

Results:

This resulted in the MTSB–Version 3 (MSTB-3), which includes test protocols for identifying not only traditional CI candidates but also possible candidates for electric–acoustic stimulation and patients with single-sided deafness and asymmetric hearing loss. The MSTB-3 provides information that supplements the earlier versions of the MSTB, such as recommendations of when to refer patients for a CI, recommended patient-reported outcome measures, considerations regarding the use of cognitive screeners, and sample report templates for clinical documentation of pre- and post-operative care. Electronic versions of test stimuli, along with all the materials described above, will be available to clinicians via the ICIT website (
https://www.cochlearimplanttraining.com
).

Conclusion:

The goal of the MSTB-3 is to be an evidence-based test battery that will facilitate a streamlined standard of care for adult CI candidates and recipients that will be widely used by CI clinicians.
Strategies and solutions to green concrete construction material
Authors: Tzortzi Julia Nerantzia , Hasbini Rola A.
Published: July 2024

With escalating adverse effects, climate change is, presently, a critical global issue. The primary agent is the atmospheric high level of carbon dioxide and other pollutants. Concrete significantly contributes to greenhouse gas emissions. Green building is, therefore, a professional responsibility. This analysis briefly proposes various possibilities for reverting to green concrete in construction, advising strategies and solutions implementable at the several life cycle phases of the construction material. Multi-faceted sustainable aspects would pertain to eco-friendly extraction and manufacturing processes, thermal energy-efficient layout, scrubbing of pollutants, and recyclability. In particular, the study sheds light on an important experimental possibility of symbiosing the inert building material with the biological realm: the Living Concrete. At Politecnico Di Milano – Department of Architecture, Built Environment & Construction Engineering, we, first, realized a symbiotic concrete tile with macro-algae Ulva lactuca; then, we developed the experiment to conceive a novel “living concrete” construction finish material designed to absorb/scrub carbon dioxide from the atmosphere. This material consists of concrete blocks with Chlorella vulgaris cultivated on their surface. C. vulgaris is common microalgae with photosynthetic activity. This new photosynthetic concrete finish material was further developed and realized at the University of Verona – Department of Biotechnology with the help of expert professors. Researching effective negative greenhouse gas emissions techniques (NGHGET) from the chemical, physical and/or biological realm presents a valid approach to address and solve climate change problem.
Effect of Inverter Voltage Levels on Torque Ripples of PMSM Drive
Authors: Pandraka Vinodh Kumar , Rao Tinnavelli Ramamohan , Anil Kumar Rajagiri , Prasad Bhupathi Hari , Lakshmi Gundebommu Sree
Published: July 2024

This paper investigates the performance of Permanent Magnet Synchronous Motors (PMSM) in terms of torque ripples, a critical aspect affecting their operational efficiency and stability. Torque ripples in AC motors are primarily attributed to the switching action of the inverter Insulated Gate Bipolar Transistors (IGBTs), resulting in current fluctuations that directly influence motor torque. Mitigating these ripples is crucial for enhancing motor performance and reducing mechanical stress. This study focuses on utilizing multilevel inverters to minimize torque ripples by smoothing the motor current through harmonic elimination. Three different types of inverters, namely 2-level, 3-level, and 5-level inverters, are simulated to assess their impact on torque ripple reduction. The torque ripples were obtained from two methods where direct simulation is a method chosen and in second method, the average torque is subtracted from instantaneous torque samples. Stator currents are analyzed in the alpha-beta frame to evaluate the effectiveness of each inverter configuration in producing smoother current profiles and subsequently reducing torque ripples. Additionally, simulations are conducted under varying load torque conditions to assess the robustness and applicability of the proposed methodology across a wide range of operating conditions.
Enhancing Electric Vehicle Efficiency with a Novel SIMO DC-DC Converter: Integrating Multiple Speed Transmissions and Regenerative Braking
Authors: Velliyangiri B. , Dharaneesh R. , Bala Surya G. , Ragul Kannan T. , Boopathi K.
Published: July 2024

An innovative single-input multi-output (SIMO) Direct Current (DC)-DC switched capacitor (SC) converter charged and discharged the flying capacitors by utilising one separate independent voltage source (Vbat or Vin) to control the EV's speed. The switching pulse interval remained constant, allowing for the generation of different voltage ratios. To regulate the velocities of EV, this study developed a number of speed transmissions. Utilising the SIMO DC-DC converter, the chosen and controlled battery voltage was produced. For motoring, or forwarding operation, four transmissions were used, while the other three transmissions were used for regenerative braking. A total of seven transmissions were generated by the proposed converter. Regenerative braking involved feeding the recovered voltage back into the battery, while the motor operated using energy from the fuel cell, photovoltaic cells, and the battery. Electronic add- ons like LED lights, the electric vehicle sound system, and charging ports for mobile devices and laptops all relied on the SIMO DC-DC converter. For various gear ratios, the suggested SIMO DC-DC converter used the energy restored in regenerative braking to recharge the battery. To further validate the proposed system, modelling, simulation, and analysis are employed. The 12 V fixed-voltage input and the 12 to 53 V output voltages are its intended uses. To ensure the system was reliable, it was simulated by the PSIM tool. Validation of the proposed converter provides strong proof of concept for regenerative braking and braking procedures.
Harnessing Supercapacitors for Sustainable Energy Storage: A Technical Overview and Critical Analysis
Authors: Kumar Sahu Santosh , Rama Sreekanth P.S. , Dhar Badgayan Nitesh , John Erinle Tunji
Published: July 2024

The historic United Nations summit on 01st January 2016 adopted the 17 Sustainable Development Goals (SDGs) and set the 2030 Agenda for Sustainable Development. Energy is a key part of the sustainable development agenda however the current renewable energy system faces several limitations like intermittency, grid integration challenges, and energy storage efficiency. Supercapacitor possesses high energy storage efficiency, high power density, and resource efficiency which enables them to contribute to different SDGs like promoting clean energy generation when integrated with renewable energy solutions (SDG 7), in industrial processes like water treatment plants it can energy efficiency reduce operational cost (SDG 6), it can also improve electric vehicle performance by improving energy efficiency and thereby contributing to SDG 11. Considering the different applications of supercapacitors in achieving sustainability, the current review article focuses on the importance of supercapacitors and their types. It also reviews different materials for electrodes and electrolytes and a note on future scope besides applications.
What is the cure for absolute infertility? Biomedicalisation and routinisation of surrogacy and uterus transplantation in Nordic medical journals
Authors: Eriksson Lise
Published: July 2024

This article investigates 20 years of discursive struggles in Nordic medical journals around the process of legitimating and routinising gestational surrogacy and uterus transplantation in Finland and Sweden. The comparative analysis through critical discourse analysis suggests that influential health care professionals have contributed to different levels of legal and cultural adaptation of the methods, prioritising non-commercial gestational surrogacy in Finland and uterus transplantation in Sweden. The article identifies central discursive turning points in the medical journal discussions by interpreting them against the background of medical and policy developments in Finland and Sweden during the analysed twenty-year period. Legitimation and routinisation of surrogacy and uterus transplantation were developed through biomedicalisation by representing them as infertility treatments and emphasising the relational dynamics between donors and recipients—a connection that in the Nordic context is often based on kinship or close relationships. The diagnosis of absolute uterine factor infertility was central to representing women as on the boundary between fertile and infertile, as they may have functioning ovaries. Through the biomedicalised rhetoric of equal opportunities for biogenetic motherhood, the diagnosed women’s ambiguous reproductive status was used to legitimise the two methods as cures for absolute infertility, thereby reinforcing hegemonic family and kinship norms.
From brain “scar” to “bat shit crazy”: negotiating the madness of sexual violence discourse
Authors: Yapp Emma
Published: July 2024

This article analyses how people who identify with psychiatric diagnoses in England and Wales make sense of and talk about their experiences of sexual violence. I examine how interview participants engaged with the hegemonic trauma discourse, as well as the consequences of this for meaning-making, affective pain, and the feminist imperative to ‘speak out’. The hegemonic trauma discourse is characterised by leaving a psychological ‘scar’; is premised on a sudden interruption to a ‘good life’; and is considered pathologically unspeakable without intervention. This discourse was both validating and affectively painful for participants, and interventions targeting dissociation were helpful for assuaging distress. However, it was additionally normative and exclusionary, and did not fulfil the political promise of ‘speaking out’, as all participants faced myriad socio-political denial.
Competition between rate strengthening and gravitational acceleration induces stick-slips of inclined granular flow
Authors: Khalid Muhammad Irslan , Fei Jianbo , Wei Jiayan , Peng Donglin , Chen Xiangsheng
Published: July 2024

This study conducted experiments on dry granular mass released on an inclined flume. The periodic acceleration and deceleration of the flow, that is, the stick-slip phenomenon, was observed during the experiments. To investigate the stick-slip motion mechanism, numerical simulations were conducted with the inclusion of the shear-strengthening μ(I)-rheology into the elasto-plastic models of granular flow. The stick-slip phenomenon was captured naturally without the modification of the empirical friction law. The results revealed that the competition between the rate strengthening implemented by the μ(I)-rheology and the gravitational acceleration along the inclined plane induces stick-slips. By considering the experimental results in combination with the simulation results, the effects of the particle size, gate size opening, surface roughness, and frictional parameters of μ(I)-rheology on the stick-slip phenomenon were elucidated.
Predicting crack behavior in holed plates using deep learning
Authors: Wang Weiming , Sun Nanlong , Yu Youfan , Zhang Zhongpeng
Published: July 2024

In this study, we introduce a methodology for predicting the behavior of cracks in holed plates. The foundation of our methodology lies in the generation of rich dataset finite element simulations. These simulations capture the complex mechanical responses exhibited by holed plates under varying initial geometries. Using this dataset as training input, we employ a multilayer perceptron deep learning model to discern the underlying relationships between the plate’s initial geometry and its subsequent crack behavior. Through meticulous data preprocessing and fine-tuning of the model architecture, the MLP undergoes rigorous training and validation to optimize its predictive capabilities. Mean squared errors are utilized to assess the accuracy and generalization capacity of the trained model. The results suggest that this model can serve as a powerful rapid predictive tool, capable of analyzing crack behavior in new instances of the plate’s geometry with remarkable efficiency and accuracy.
Early-emerging combinatorial thought: Human infants flexibly combine kind and quantity concepts
Authors: Pomiechowska Barbara , Bródy Gábor , Téglás Ernő , Kovács Ágnes Melinda
Published: July 2024

Combinatorial thought, or the ability to combine a finite set of concepts into a myriad of complex ideas and knowledge structures, is the key to the productivity of the human mind and underlies communication, science, technology, and art. Despite the importance of combinatorial thought for human cognition and culture, its developmental origins remain unknown. To address this, we tested whether 12-mo-old infants (
N
= 60), who cannot yet speak and only understand a handful of words, can combine quantity and kind concepts activated by verbal input. We proceeded in two steps: first, we taught infants two novel labels denoting quantity (e.g., “mize” for 1 item; “padu” for 2 items, Experiment 1). Then, we assessed whether they could combine quantity and kind concepts upon hearing complex expressions comprising their labels (e.g., “
padu
duck”, Experiments 2-3). At test, infants viewed four different sets of objects (e.g., 1 duck, 2 ducks, 1 ball, 2 balls) while being presented with the target phrase (e.g., “padu duck”) naming one of them (e.g., 2 ducks). They successfully retrieved and combined on-line the labeled concepts, as evidenced by increased looking to the named sets but not to distractor sets. Our results suggest that combinatorial processes for building complex representations are available by the end of the first year of life. The infant mind seems geared to integrate concepts in novel productive ways. This ability may be a precondition for deciphering the ambient language(s) and building abstract models of experience that enable fast and flexible learning.
Mechanism of phosphate release from actin filaments
Authors: Wang Yihang , Wu Jiangbo , Zsolnay Vilmos , Pollard Thomas D. , Voth Gregory A.
Published: July 2024

After ATP-actin monomers assemble filaments, the ATP’sγ-phosphate is hydrolyzedwithin seconds and dissociates over minutes. We used all-atom molecular dynamics simulations to sample the release of phosphate from filaments and study residues that gate release. Dissociation of phosphate from Mg2+is rate limiting and associated with an energy barrier of 20 kcal/mol, consistent with experimental rates of phosphate release. Phosphate then diffuses within an internal cavity toward a gate formed by R177, as suggested in prior computational studies and cryo-EM structures. The gate is closed when R177 hydrogen bonds with N111 and is open when R177 forms a salt bridge with D179. Most of the time, interactions of R177 with other residues occlude the phosphate release pathway. Machine learning analysis reveals that the occluding interactions fluctuate rapidly, underscoring the secondary role of backdoor gate opening in Pirelease, in contrast with the previous hypothesis that gate opening is the primary event.
The discourse functions of simple copulas in Dzongkha
Authors: Watters Stephen
Published: July 2024

The marking on copular verbs in Tibetic languages is regarded as an exemplar of egophoricity, although the extent
to which it has been grammaticalized varies between languages. Dzongkha, a southern Tibetic language, is somewhat atypical of the
egophoric pattern in the sense that the basic opposition in copulas exhibits a mirative pattern, wherein the non-mirative
(egophoric) copula occurs with all grammatical persons in declaratives and interrogatives, and the mirative (non-egophoric) occurs
with the 3rd person and rarely with 1st and 2nd persons. The conversational data studied for this paper also show that the speaker
need not take knowledge stances that bifurcate the world between objectively ‘old’ and ‘new’ knowledge and the attendant
associations of knowledge with a particular grammatical person. Rather, the speaker’s representation of events is subjective, and
dependent, in part, on the knowledge stances between speaker and respondent. What is in view in conversational interaction are the
social goals of the conversation — assertions, face-saving strategies, and arriving at mutually shared knowledge — and the
Dzongkha copulas are a manipulable linguistic resource in achieving these.
Influence of discrete laser surface melting on scuffing resistance of W6Mo5Cr4V2 steel gear
Authors: Lv You , Cui Bo , Sun Zhaolong , Xiao Xinlei
Published: July 2024

The gear transmission system is advancing towards high-speed and heavy-duty applications. Among the main failure modes of the system, tooth surface scuffing due to increased tooth surface temperature has emerged as a prominent concern in mechanical transmission. Addressing the enhancement of gear scuffing resistance has thus become an urgent challenge in this field. This paper utilized discrete laser surface melting (DLSM) treatment to create discrete laser surface melted (DLSMed) units on the surface of W6Mo5Cr4V2 steel gears, resembling the radial ribs found on the surface of Limaria basilica. The paper investigated the size, hardness, residual austenite content, and residual stress of the DLSMed units at varying current intensities and laser frequencies. Microstructural observations were conducted on the DLSMed units, followed by gear scuffing experiments performed on the Forschungsstelle für Zahnräder und Getriebebau (FZG) testing machine. The experimental findings revealed that the change in laser frequency had a clearly weaker impact on the size of the DLSMed unit compared to current intensity. The DLSMed unit consisted of two parts: the melting zone (MZ) and the heat-affected zone (HAZ), with equiaxed and dendritic microstructures, respectively. Both zones exhibited refinement with increasing current intensity and laser frequency. Moreover, the microhardness of the DLSMed unit showed significant improvement compared to that of as-received gears. The scuffing resistance of DLSMed gears was found to be closely linked to their initial surface roughness. Residual stress formation in DLSMed gears was attributed to thermal stress and microstructural stress. The distribution pattern of DLSMed units had varying effects on the scuffing load-carrying capacity of DLSMed gears. Specifically, DLSMed gears with transverse distribution of DLSMed units demonstrated a 12.5% improvement in anti-scuffing performance compared to those with longitudinal distribution. Finally, this paper elucidated the mechanism through which DLSM enhances the scuffing resistance of W6Mo5Cr4V2 steel gears.
Densification mechanism and microstructural evolution of Si3N4 composites with CeO2 as additives during spark plasma sintering
Authors: Zhan Lina , Zhang Yao , Zhang Xuan , Xia Yuzhibiao , Liu Yao
Published: July 2024

The densification mechanism of CeO2 doped Si3N4 ceramics during spark plasma sintering (SPS) was investigated. The sintering process was observed to undergo significant densification at the intermediate stage of sintering (1435 °C–1816 °C), and the density and grain size of CeO2 doped Si3N4 ceramic were found to be greater than those of pure Si3N4 ceramic under the same sintering conditions. To determine the densification mechanism, a creep model was utilized to determine the densification mechanism which could be interpreted based on the values of the stress exponent (n) and the apparent activation energy (Q
d). The results revealed that the Q
d of pure Si3N4 (381.15 kJ mol−1) is higher than that of Si3N4-CeO2 powder (265.61 kJ mol−1). Moreover, the stress exponent n of Si3N4-CeO2 powder (1.12–1.33) was higher than that of pure Si3N4 powder (1.00–1.18). This can be attributed to the fact that the addition of CeO2 resulted in the formation of a liquid phase at the grain boundary which leading to a shift in the controlling mechanism from grain boundary diffusion to grain boundary sliding.
Synthetic diamonds grow in liquid metal at ambient pressure
Authors: Dumé Isabelle
Published: July 2024

Researchers at the Institute for Basic Science (IBS) in South Korea have shown that it is possible to make polycrystalline diamond films at standard pressures.
Did big animals evolve due to an ancient lull in Earth’s magnetic field?
Authors: Dumé Isabelle
Published: July 2024

An unusual lull in the Earth’s magnetic field nearly 600 million years ago may have triggered a rise in the planet’s oxygen levels, thereby allowing large, complex animals to evolve and thrive for the first time.
Physicist elected president of Mexico
Authors: Gwynne Peter
Published: July 2024

Physicist Claudia Sheinbaum Pardo has been elected president of Mexico following a landslide victory in which she gained more than twice as many votes as her nearest opponent.
‘Hidden’ citations conceal the true impact of research
Authors: Allen Michael
Published: July 2024

Papers introducing concepts that have since become common knowledge are often under-cited by researchers, skewing those articles’ true impact.
Ursula’s cat
Authors: Crease Robert P
Published: July 2024

Robert P Crease pays tribute to the science-fiction writer Ursula K Le Guin, who 50 years ago introduced Schrödinger’s famous image into popular culture.
Technology phoenix
Authors: McKenzie James
Published: July 2024

James McKenzie explains what we can learn from electric-vehicle manufacturer Nikola Corporation, which is finally coming good despite its founder being jailed.
Physics in Ukraine
Authors: Lusito Eric
Published: July 2024

The Ukrainian city of Kharkiv was a major target during the first days of the Russian invasion and, as the Russian army advances, it continues to face attacks by drones and missiles. But when he travelled to Kharkiv in November 2023, photographer Eric Lusito discovered a resilient community of scientists doing everything in their power to continue their research.
Life and death in the universe
Authors: Skipper Katherine
Published: July 2024

Katherine Skipper reviews Things That Go Bump in the Universe by C Renée James.
Learning around the clock
Authors: Barber Betty
Published: July 2024

Betty Barber reviews The Clockwork Conspiracy by Sam Sedgman.
Beyond quantum annealing: optimal control solutions to maxcut problems
Authors: Pecci Giovanni , Wang Ruiyi , Torta Pietro , Mbeng Glen Bigan , Santoro Giuseppe
Published: July 2024

Quantum Annealing (QA) relies on mixing two Hamiltonian terms, a simple driver and a complex problem Hamiltonian, in a linear combination. The time-dependent schedule for this mixing is often taken to be linear in time: improving on this linear choice is known to be essential and has proven to be difficult. Here, we present different techniques for improving on the linear-schedule QA along two directions, conceptually distinct but leading to similar outcomes: 1) the first approach consists of constructing a Trotter-digitized QA (dQA) with schedules parameterized in terms of Fourier modes or Chebyshev polynomials, inspired by the Chopped Random Basis algorithm for optimal control in continuous time; 2) the second approach is technically a Quantum Approximate Optimization Algorithm (QAOA), whose solutions are found iteratively using linear interpolation or expansion in Fourier modes. Both approaches emphasize finding smooth optimal schedule parameters, ultimately leading to hybrid quantum–classical variational algorithms of the alternating Hamiltonian Ansatz type. We apply these techniques to MaxCut problems on weighted 3-regular graphs with N = 14 sites, focusing on hard instances that exhibit a small spectral gap, for which a standard linear-schedule QA performs poorly. We characterize the physics behind the optimal protocols for both the dQA and QAOA approaches, discovering shortcuts to adiabaticity-like dynamics. Furthermore, we study the transferability of such smooth solutions among hard instances of MaxCut at different circuit depths. Finally, we show that the smoothness pattern of these protocols obtained in a digital setting enables us to adapt them to continuous-time evolution, contrarily to generic non-smooth solutions. This procedure results in an optimized QA schedule that is implementable on analog devices.
Physical properties of InxSey and CuInSe2 thin films with potential application in radiation detectors
Authors: Molina-Mil T , Sastré-Hernández J , Aguilar-Hernández J , Hernández-Pérez M A , Vázquez-López C , Conteras-Puente G
Published: July 2024

A study of InxSey and CuInSe2 thin films processed by the thermal co-evaporation technique by evaluating its physical properties is carried out. Both InxSey as well as CuInSe2 thin films were synthesized by multi-source thermal co-evaporation technique, using Knudsen-type effusion cells. The optical, structural, electrical, and morphological properties of each film were analyzed in order to determine the feasibility at the formation of a p-CuInSe2/n-InxSey heterojunction. InxSey films exhibited bandgap values in the range of 2.4–2.7 eV which was determined by UV–vis spectroscopic analysis. Vibrational modes associated to In2Se3 as well as Se are presented in the InxSey films according to Raman studies. The irregular morphology of the grains on the InxSey surface, with an average size of 380 nm are related to both In2Se3 and Se materials according to Raman spectroscopy and Scanning Electron Microscopy analysis. The InxSey thin films showed resistivity vales around 10–3 Ω·cm. The Hackee´s figure of Merit (FOMH) analysis supported the physical assumption that InxSey thin films are feasible to be used as window layer in a photovoltaic device because of the high values of FOMH obtained for samples processed at 300 °C. On the other hand, an influence on the morphology of the CuInSe2 films was observed when the films were synthetized at different substrate temperature. Uniform CuInSe2 films with agglomerated cauliflower-like grains with an average size of 1.8 μm were observed by SEM. The presence of binary phases within the CuInSe2 compound were detected through Raman and x-ray characterization. Average crystallite size of 61 nm and microstrain around 2.5 × 10–3 were estimated for the CuInSe2 films through x-ray analysis. According to the physical properties analyzed the InxSey/CuInSe2 semiconductor bilayer can be a suitable candidate for application in photovoltaic devices as well as charged particle detector.
Graph constrained empirical wavelet transform and its application in bearing fault diagnosis
Authors: Tan Yuan , Zhao Shui , Lv Xiaorong , Shao Shifen , Chen Bingyan , Fan Xiyan
Published: July 2024

The signal decomposition based on frequency domain distribution is a fundamental methodology for mechanical component fault diagnosis. However, existing methods face challenges such as susceptibility to noise interference and limited adaptability. Therefore, this paper proposes the graph constrained empirical wavelet transform (GCEWT) method. This method introduces structured information, such as the interrelationships among different parts of the frequency domain distribution of vibration signals, into the boundary detection process of empirical wavelet transform. The high-dimensional connectivity among different parts of the time-frequency distribution is utilized to construct an adjacency matrix. By constructing an adjacent graph, the proposed method encodes the adjacency relationships among frequency bands to constrain the low-dimensional spatial relationships between them. In conjunction with spectral clustering algorithms, the GCEWT method determines the boundaries for empirical wavelet transformation in the frequency domain. This approach achieves structured and adaptive decomposition of vibration signals from components of critical equipment, facilitating the structured and adaptive extraction of fault features. The effectiveness of the proposed method is validated using vibration data from both wind turbine drivetrain systems and aircraft engines. The experimental results demonstrate that the proposed method yields more reasonable signal decomposition results compared to traditional algorithms. Additionally, the proposed method proves to be more effective in extracting weak fault features of bearings in the presence of noise.
Quantum extreme learning of molecular potential energy surfaces and force fields
Authors: Lo Monaco Gabriele , Bertini Marco , Lorenzo Salvatore , Massimo Palma G
Published: July 2024

Quantum machine learning algorithms are expected to play a pivotal role in quantum chemistry simulations in the immediate future. One such key application is the training of a quantum neural network to learn the potential energy surface and force field of molecular systems. We address this task by using the quantum extreme learning machine paradigm. This particular supervised learning routine allows for resource-efficient training, consisting of a simple linear regression performed on a classical computer. We have tested a setup that can be used to study molecules of any dimension and is optimized for immediate use on NISQ devices with a limited number of native gates. We have applied this setup to three case studies: lithium hydride, water, and formamide, carrying out both noiseless simulations and actual implementation on IBM quantum hardware. Compared to other supervised learning routines, the proposed setup requires minimal quantum resources, making it feasible for direct implementation on quantum platforms, while still achieving a high level of predictive accuracy compared to simulations. Our encouraging results pave the way towards the future application to more complex molecules, being the proposed setup scalable.
Self-supervised representations and node embedding graph neural networks for accurate and multi-scale analysis of materials
Authors: Kong Jian-Gang , Zhao Ke-Lin , Li Jian , Li Qing-Xu , Liu Yu , Zhang Rui , Zhu Jia-Ji , Chang Kai
Published: July 2024

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which may lose the physical insight of multi-scale information about materials. And the process of labeling data consumes many resources and inevitably introduces errors, which constrains the accuracy of prediction. We propose to train the GNN model by self-supervised learning on the node and edge information of the crystal graph. Compared with the popular manually constructed material descriptors, the self-supervised atomic representation can reach better prediction performance on material properties. Furthermore, it may provide physical insights by tuning the range information. Applying the self-supervised atomic representation on the magnetic moment datasets, we show how they can extract rules and information from the magnetic materials. To incorporate rich physical information into the GNN model, we develop the node embedding graph neural networks (NEGNN) framework and show significant improvements in the prediction performance. The self-supervised material representation and the NEGNN framework may investigate in-depth information from materials and can be applied to small datasets with increased prediction accuracy.
A direct approach to sharp Li-Yau estimates on closed manifolds with negative Ricci lower bound
Authors: Song Xingyu , Wu Ling , Zhu Meng
Published: July 2024

Recently, Qi S. Zhang [A Sharp Li-Yau gradient bound on Compact Manifolds, https://arxiv.org/2110.08933, 2021] has derived a sharp Li-Yau estimate for positive solutions of the heat equation on closed Riemannian manifolds with the Ricci curvature bounded below by a negative constant. The proof is based on an integral iteration argument which utilizes Hamilton’s gradient estimate, heat kernel Gaussian bounds and parabolic Harnack inequality.

In this paper, we show that the sharp Li-Yau estimate can actually be obtained directly following the classical maximum principle argument, which simplifies the proof in Qi S. Zhang’s paper. In addition, we apply the same idea to the heat and conjugate heat equations under the Ricci flow and prove some Li-Yau type estimates with optimal coefficients.
Irreducibility of some crystalline loci with irregular Hodge–Tate weights
Authors: Bartlett Robin
Published: July 2024

We show that loci of crystalline representations of

G
K

G_K

for

K

/

Q

p

K/\mathbb {Q}_p

an unramified extension are irreducible when the Hodge–Tate weights are fixed and sufficiently small. This was previously known for weights in the interval

[
−
p
,
0
]

[-p,0]

and in this paper we show how that this bound can be relaxed provided the Hodge–Tate weights are sufficiently irregular at certain embeddings. This is motivated by the desire to extend the conjectures of Breuil–Mézard [Duke Math. J. 115 (2002), pp. 205–310] on loci of potentially crystalline representations to irregular weights.