bluuebunny/crossref_metadata_2025_split huggingface dataset:
Artificial visual perception neural system using a solution-processable MoS2-based in-memory light sensor
Authors: Kumar Dayanand , Joharji Lana , Li Hanrui , Rezk Ayman , Nayfeh Ammar , El-Atab Nazek 
Published: May 2023

AbstractOptoelectronic devices are advantageous in in-memory light sensing for visual information processing, recognition, and storage in an energy-efficient manner. Recently, in-memory light sensors have been proposed to improve the energy, area, and time efficiencies of neuromorphic computing systems. This study is primarily focused on the development of a single sensing-storage-processing node based on a two-terminal solution-processable MoS2 metal–oxide–semiconductor (MOS) charge-trapping memory structure—the basic structure for charge-coupled devices (CCD)—and showing its suitability for in-memory light sensing and artificial visual perception. The memory window of the device increased from 2.8 V to more than 6 V when the device was irradiated with optical lights of different wavelengths during the program operation. Furthermore, the charge retention capability of the device at a high temperature (100 °C) was enhanced from 36 to 64% when exposed to a light wavelength of 400 nm. The larger shift in the threshold voltage with an increasing operating voltage confirmed that more charges were trapped at the Al2O3/MoS2 interface and in the MoS2 layer. A small convolutional neural network was proposed to measure the optical sensing and electrical programming abilities of the device. The array simulation received optical images transmitted using a blue light wavelength and performed inference computation to process and recognize the images with 91% accuracy. This study is a significant step toward the development of optoelectronic MOS memory devices for neuromorphic visual perception, adaptive parallel processing networks for in-memory light sensing, and smart CCD cameras with artificial visual perception capabilities.
Psychosis brain subtypes validated in first-episode cohorts and related to illness remission: results from the PHENOM consortium
Authors: Dwyer Dominic B. , Chand Ganesh B. , Pigoni Alessandro , Khuntia Adyasha , Wen Junhao , Antoniades Mathilde , Hwang Gyujoon , Erus Guray , Doshi Jimit , Srinivasan Dhivya , Varol Erdem , Kahn Rene S. , Schnack Hugo G. , Meisenzahl Eva , Wood Stephen J. , Zhuo Chuanjun , Sotiras Aristeidis , Shinohara Russell T. , Shou Haochang , Fan Yong , Schaulfelberger Maristela , Rosa Pedro , Lalousis Paris A. , Upthegrove Rachel , Kaczkurkin Antonia N. , Moore Tyler M. , Nelson Barnaby , Gur Raquel E. , Gur Ruben C. , Ritchie Marylyn D. , Satterthwaite Theodore D. , Murray Robin M. , Di Forti Marta , Ciufolini Simone , Zanetti Marcus V. , Wolf Daniel H. , Pantelis Christos , Crespo-Facorro Benedicto , Busatto Geraldo F. , Davatzikos Christos , Koutsouleris Nikolaos , Dazzan Paola 
Published: May 2023

AbstractUsing machine learning, we recently decomposed the neuroanatomical heterogeneity of established schizophrenia to discover two volumetric subgroups—a ‘lower brain volume’ subgroup (SG1) and an ‘higher striatal volume’ subgroup (SG2) with otherwise normal brain structure. In this study, we investigated whether the MRI signatures of these subgroups were also already present at the time of the first-episode of psychosis (FEP) and whether they were related to clinical presentation and clinical remission over 1-, 3-, and 5-years. We included 572 FEP and 424 healthy controls (HC) from 4 sites (Sao Paulo, Santander, London, Melbourne) of the PHENOM consortium. Our prior MRI subgrouping models (671 participants; USA, Germany, and China) were applied to both FEP and HC. Participants were assigned into 1 of 4 categories: subgroup 1 (SG1), subgroup 2 (SG2), no subgroup membership (‘None’), and mixed SG1 + SG2 subgroups (‘Mixed’). Voxel-wise analyses characterized SG1 and SG2 subgroups. Supervised machine learning analyses characterized baseline and remission signatures related to SG1 and SG2 membership. The two dominant patterns of ‘lower brain volume’ in SG1 and ‘higher striatal volume’ (with otherwise normal neuromorphology) in SG2 were identified already at the first episode of psychosis. SG1 had a significantly higher proportion of FEP (32%) vs. HC (19%) than SG2 (FEP, 21%; HC, 23%). Clinical multivariate signatures separated the SG1 and SG2 subgroups (balanced accuracy = 64%; p < 0.0001), with SG2 showing higher education but also greater positive psychosis symptoms at first presentation, and an association with symptom remission at 1-year, 5-year, and when timepoints were combined. Neuromorphological subtypes of schizophrenia are already evident at illness onset, separated by distinct clinical presentations, and differentially associated with subsequent remission. These results suggest that the subgroups may be underlying risk phenotypes that could be targeted in future treatment trials and are critical to consider when interpreting neuroimaging literature.
PCPro: a clinically accessible, circulating lipid biomarker signature for poor-prognosis metastatic prostate cancer
Authors: Scheinberg Tahlia , Lin Hui-Ming , Fitzpatrick Michael , Azad Arun A. , Bonnitcha Paul , Davies Amy , Heller Gillian , Huynh Kevin , Mak Blossom , Mahon Kate , Sullivan David , Meikle Peter J. , Horvath Lisa G. 
Published: May 2023

Abstract
Background
Using comprehensive plasma lipidomic profiling from men with metastatic castration-resistant prostate cancer (mCRPC), we have previously identified a poor-prognostic lipid profile associated with shorter overall survival (OS). In order to translate this biomarker into the clinic, these men must be identifiable via a clinically accessible, regulatory-compliant assay.

Methods
A single regulatory-compliant liquid chromatography-mass spectrometry assay of candidate lipids was developed and tested on a mCRPC Discovery cohort of 105 men. Various risk-score Cox regression prognostic models of OS were built using the Discovery cohort. The model with the highest concordance index (PCPro) was chosen for validation and tested on an independent Validation cohort of 183 men.

Results
PCPro, the lipid biomarker, contains Cer(d18:1/18:0), Cer(d18:1/24:0), Cer(d18:1/24:1), triglycerides and total cholesterol. Within the Discovery and Validation cohorts, men who were PCPro positive had significantly shorter OS compared to those who were PCPro negative (Discovery: median OS 12.0 months vs 24.2 months, hazard ratio (HR) 3.75 [95% confidence interval (CI) 2.29–6.15], p < 0.001, Validation: median OS 13.0 months vs 25.7 months, HR = 2.13 [95% CI 1.46–3.12], p < 0.001).

Conclusions
We have developed PCPro, a lipid biomarker assay capable of prospectively identifying men with mCRPC with a poor prognosis. Prospective clinical trials are required to determine if men who are PCPro positive will benefit from therapeutic agents targeting lipid metabolism.
Senataxin and R-loops homeostasis: multifaced implications in carcinogenesis
Authors: Gatti Veronica , De Domenico Sara , Melino Gerry , Peschiaroli Angelo 
Published: May 2023

AbstractR-loops are inherent byproducts of transcription consisting of an RNA:DNA hybrid and a displaced single-stranded DNA. These structures are of key importance in controlling numerous physiological processes and their homeostasis is tightly controlled by the activities of several enzymes deputed to process R-loops and prevent their unproper accumulation. Senataxin (SETX) is an RNA/DNA helicase which catalyzes the unwinding of RNA:DNA hybrid portion of the R-loops, promoting thus their resolution. The key importance of SETX in R-loops homeostasis and its relevance with pathophysiological events is highlighted by the evidence that gain or loss of function SETX mutations underlie the pathogenesis of two distinct neurological disorders. Here, we aim to describe the potential impact of SETX on tumor onset and progression, trying to emphasize how dysregulation of this enzyme observed in human tumors might impact tumorigenesis. To this aim, we will describe the functional relevance of SETX in regulating gene expression, genome integrity, and inflammation response and discuss how cancer-associated SETX mutations might affect these pathways, contributing thus to tumor development.
Optimal enzyme utilization suggests that concentrations and thermodynamics determine binding mechanisms and enzyme saturations
Authors: Sahin Asli , Weilandt Daniel R. , Hatzimanikatis Vassily 
Published: May 2023

AbstractDeciphering the metabolic functions of organisms requires understanding the dynamic responses of living cells upon genetic and environmental perturbations, which in turn can be inferred from enzymatic activity. In this work, we investigate the optimal modes of operation for enzymes in terms of the evolutionary pressure driving them toward increased catalytic efficiency. We develop a framework using a mixed-integer formulation to assess the distribution of thermodynamic forces and enzyme states, providing detailed insights into the enzymatic mode of operation. We use this framework to explore Michaelis-Menten and random-ordered multi-substrate mechanisms. We show that optimal enzyme utilization is achieved by unique or alternative operating modes dependent on reactant concentrations. We find that in a bimolecular enzyme reaction, the random mechanism is optimal over any other ordered mechanism under physiological conditions. Our framework can investigate the optimal catalytic properties of complex enzyme mechanisms. It can further guide the directed evolution of enzymes and fill in the knowledge gaps in enzyme kinetics.
Translational reprogramming as a driver of antimony-drug resistance in Leishmania
Authors: Gutierrez Guarnizo Sneider Alexander , Tikhonova Elena B. , Karamyshev Andrey L. , Muskus Carlos E. , Karamysheva Zemfira N. 
Published: May 2023

AbstractLeishmania is a unicellular protozoan that has a limited transcriptional control and mostly uses post-transcriptional regulation of gene expression, although the molecular mechanisms of the process are still poorly understood. Treatments of leishmaniasis, pathologies associated with Leishmania infections, are limited due to drug resistance. Here, we report dramatic differences in mRNA translation in antimony drug-resistant and sensitive strains at the full translatome level. The major differences (2431 differentially translated transcripts) were demonstrated in the absence of the drug pressure supporting that complex preemptive adaptations are needed to efficiently compensate for the loss of biological fitness once they are exposed to the antimony. In contrast, drug-resistant parasites exposed to antimony activated a highly selective translation of only 156 transcripts. This selective mRNA translation is associated with surface protein rearrangement, optimized energy metabolism, amastins upregulation, and improved antioxidant response. We propose a novel model that establishes translational control as a major driver of antimony-resistant phenotypes in Leishmania.
Concerted oxygen diffusion across heterogeneous oxide interfaces for intensified propane dehydrogenation
Authors: Chen Sai , Luo Ran , Zhao Zhi-Jian , Pei Chunlei , Xu Yiyi , Lu Zhenpu , Zhao Chengjie , Song Hongbo , Gong Jinlong 
Published: May 2023

AbstractPropane dehydrogenation (PDH) is an industrial technology for direct propylene production which has received extensive attention in recent years. Nevertheless, existing non-oxidative dehydrogenation technologies still suffer from the thermodynamic equilibrium limitations and severe coking. Here, we develop the intensified propane dehydrogenation to propylene by the chemical looping engineering on nanoscale core-shell redox catalysts. The core-shell redox catalyst combines dehydrogenation catalyst and solid oxygen carrier at one particle, preferably compose of two to three atomic layer-type vanadia coating ceria nanodomains. The highest 93.5% propylene selectivity is obtained, sustaining 43.6% propylene yield under 300 long-term dehydrogenation-oxidation cycles, which outperforms an analog of industrially relevant K-CrOx/Al2O3 catalysts and exhibits 45% energy savings in the scale-up of chemical looping scheme. Combining in situ spectroscopies, kinetics, and theoretical calculation, an intrinsically dynamic lattice oxygen “donator-acceptor” process is proposed that O2- generated from the ceria oxygen carrier is boosted to diffuse and transfer to vanadia dehydrogenation sites via a concerted hopping pathway at the interface, stabilizing surface vanadia with moderate oxygen coverage at pseudo steady state for selective dehydrogenation without significant overoxidation or cracking.
Ni-catalyzed mild hydrogenolysis and oxidations of C–O bonds via carbonate redox tags
Authors: Toupalas Georgios , Ribadeau-Dumas Loélie , Morandi Bill 
Published: May 2023

AbstractOxygenated molecules are omnipresent in natural as well as artificial settings making the redox transformation of the present C–O bonds a central tool for their processing. However, the required (super)stoichiometric redox agents which traditionally include highly reactive and hazardous reagents pose multiple practical challenges including process safety hazards or special waste management requirements. Here, we report a mild Ni-catalyzed fragmentation strategy based on carbonate redox tags for redox transformations of oxygenated hydrocarbons in the absence of any external redox equivalents or other additives. The purely catalytic process enables the hydrogenolysis of strong C(sp2)–O bonds including that of enol carbonates as well as the catalytic oxidation of C–O bonds under mild conditions down to room temperature. Additionally, we investigated the underlying mechanism and showcased the benefits of carbonate redox tags in multiple applications. More broadly, the work herein demonstrates the potential of redox tags for organic synthesis.
Structure-dependence and metal-dependence on atomically dispersed Ir catalysts for efficient n-butane dehydrogenation
Authors: Chen Xiaowen , Qin Xuetao , Jiao Yueyue , Peng Mi , Diao Jiangyong , Ren Pengju , Li Chengyu , Xiao Dequan , Wen Xiaodong , Jiang Zheng , Wang Ning , Cai Xiangbin , Liu Hongyang , Ma Ding 
Published: May 2023

AbstractSingle-site pincer-ligated iridium complexes exhibit the ability for C-H activation in homogeneous catalysis. However, instability and difficulty in catalyst recycling are inherent disadvantages of the homogeneous catalyst, limiting its development. Here, we report an atomically dispersed Ir catalyst as the bridge between homogeneous and heterogeneous catalysis, which displays an outstanding catalytic performance for n-butane dehydrogenation, with a remarkable n-butane reaction rate (8.8 mol·gIr−1·h−1) and high butene selectivity (95.6%) at low temperature (450 °C). Significantly, we correlate the BDH activity with the Ir species from nanoscale to sub-nanoscale, to reveal the nature of structure-dependence of catalyst. Moreover, we compare Ir single atoms with Pt single atoms and Pd single atoms for in-depth understanding the nature of metal-dependence at the atomic level. From experimental and theoretical calculations results, the isolated Ir site is suitable for both reactant adsorption/activation and product desorption. Its remarkable dehydrogenation capacity and moderate adsorption behavior are the key to the outstanding catalytic activity and selectivity.
Characterization of ZmPMP3g function in drought tolerance of maize
Authors: Lei Ling , Pan Hong , Hu Hai-Yang , Fan Xian-Wei , Wu Zhen-Bo , Li You-Zhi 
Published: May 2023

AbstractThe genes enconding proteins containing plasma membrane proteolipid 3 (PMP3) domain are responsive to abiotic stresses, but their functions in maize drought tolerance remain largely unknown. In this study, the transgenic maize lines overexpressing maize ZmPMP3g gene were featured by enhanced drought tolerance; increases in total root length, activities of superoxide dismutase and catalase, and leaf water content; and decreases in leaf water potential, levels of O2−·and H2O2, and malondialdehyde content under drought. Under treatments with foliar spraying with abscisic acid (ABA), drought tolerance of both transgenic line Y7-1 overexpressing ZmPMP3g and wild type Ye478 was enhanced, of which Y7-1 showed an increased endogenous ABA and decreased endogenous gibberellin (GA) 1 (significantly) and GA3 (very slightly but not significantly) and Ye478 had a relatively lower ABA and no changes in GA1 and GA3. ZmPMP3g overexpression in Y7-1 affected the expression of multiple key transcription factor genes in ABA-dependent and -independent drought signaling pathways. These results indicate that ZmPMP3g overexpression plays a role in maize drought tolerance by harmonizing ABA-GA1-GA3 homeostasis/balance, improving root growth, enhancing antioxidant capacity, maintaining membrane lipid integrity, and regulating intracellular osmotic pressure. A working model on ABA-GA-ZmPMP3g was proposed and discussed.
Assessment of the impacts of climat change on water supply system pipe failures
Authors: Fan Xudong , Zhang Xijin , Yu Allen , Speitel Matthew , Yu Xiong 
Published: May 2023

AbstractClimate change is projected to have profound impacts on the resilience and sustainability of built infrastructure. This study aims to understand the impacts of climate change on water supply systems and to facilitate adaptive actions. A premium database maintained by the Cleveland Water Division, Cleveland, Ohio, USA is analyzed. It contains 29,621 pipe failure records of 51,832 pipes over the past 30 years, representing one of the largest dataset in current literature. From the database, pipe failure rate models have been developed for water pipes made of different types of materials at different ages. The influence of climate (temperature and precipitation) on fragility of water pipes are obtained. Based on the developed climate-fragility failure rate models, the impacts of climate change on the water systems located in different geographic regions are evaluated by predicting the failure rate and number of failures in the water systems in the next 80 years (2020 to 2100). Climate models are used to predict weather under different climate change scenarios. The results demonstrate that the impacts of climate change on water supply system are likely complicated and are dependent upon factors such as the geographic location, pipe material, pipe age, and maintenance strategies. Water pipes in the cold regions may experience fewer number breaks due to the warmer weather and less severe winter, whereas those located in the hot regions may experience more failures associated with more corrosion. Different pipe replacement strategies are compared, which demonstrate the importance of considering the aging of water supply system in future maintenance decisions. This study enriches current understandings on the impacts of climate change on the water systems. The results will help water utilities to design climate change adaptation strategies.
The expression pattern of pyruvate dehydrogenase kinases predicts prognosis and correlates with immune exhaustion in clear cell renal cell carcinoma
Authors: Nunes-Xavier Caroline E. , Emaldi Maite , Mingo Janire , Øyjord Tove , Mælandsmo Gunhild M. , Fodstad Øystein , Errarte Peio , Larrinaga Gorka , Llarena Roberto , López José I. , Pulido Rafael 
Published: May 2023

AbstractRenal cancer cells constitute a paradigm of tumor cells with a glycolytic reprogramming which drives metabolic alterations favouring cell survival and transformation. We studied the expression and activity of pyruvate dehydrogenase kinases (PDK1-4), key enzymes of the energy metabolism, in renal cancer cells. We analysed the expression, subcellular distribution and clinicopathological correlations of PDK1-4 by immunohistochemistry of tumor tissue microarray samples from a cohort of 96 clear cell renal cell carcinoma (ccRCC) patients. Gene expression analysis was performed on whole tumor tissue sections of a subset of ccRCC samples. PDK2 and PDK3 protein expression in tumor cells correlated with lower patient overall survival, whereas PDK1 protein expression correlated with higher patient survival. Gene expression analysis revealed molecular association of PDK2 and PDK3 expression with PI3K signalling pathway, as well as with T cell infiltration and exhausted CD8 T cells. Inhibition of PDK by dichloroacetate in human renal cancer cell lines resulted in lower cell viability, which was accompanied by an increase in pAKT. Together, our findings suggest a differential role for PDK enzymes in ccRCC progression, and highlight PDK as actionable metabolic proteins in relation with PI3K signalling and exhausted CD8 T cells in ccRCC.
Modelling the reopen strategy from dynamic zero-COVID in China considering the sequela and reinfection
Authors: Wu Sijin , Huang Zhejun , Grant-Muller Susan , Gu Dongfeng , Yang Lili 
Published: May 2023

AbstractAlthough the dynamic zero-COVID policy has effectively controlled virus spread in China, China has to face challenges in balancing social-economic burdens, vaccine protection, and the management of long COVID symptoms. This study proposed a fine-grained agent-based model to simulate various strategies for transitioning from a dynamic zero-COVID policy with a case study in Shenzhen. The results indicate that a gradual transition, maintaining some restrictions, can mitigate infection outbreaks. However, the severity and duration of epidemics vary based on the strictness of the measures. In contrast, a more direct transition to reopening may lead to rapid herd immunity but necessitate preparedness for potential sequelae and reinfections. Policymakers should assess healthcare capacity for severe cases and potential long-COVID symptoms and determine the most suitable approach tailored to local conditions.
Denoising diffusion probabilistic models for 3D medical image generation
Authors: Khader Firas , Müller-Franzes Gustav , Tayebi Arasteh Soroosh , Han Tianyu , Haarburger Christoph , Schulze-Hagen Maximilian , Schad Philipp , Engelhardt Sandy , Baeßler Bettina , Foersch Sebastian , Stegmaier Johannes , Kuhl Christiane , Nebelung Sven , Kather Jakob Nikolas , Truhn Daniel 
Published: May 2023

AbstractRecent advances in computer vision have shown promising results in image generation. Diffusion probabilistic models have generated realistic images from textual input, as demonstrated by DALL-E 2, Imagen, and Stable Diffusion. However, their use in medicine, where imaging data typically comprises three-dimensional volumes, has not been systematically evaluated. Synthetic images may play a crucial role in privacy-preserving artificial intelligence and can also be used to augment small datasets. We show that diffusion probabilistic models can synthesize high-quality medical data for magnetic resonance imaging (MRI) and computed tomography (CT). For quantitative evaluation, two radiologists rated the quality of the synthesized images regarding "realistic image appearance", "anatomical correctness", and "consistency between slices". Furthermore, we demonstrate that synthetic images can be used in self-supervised pre-training and improve the performance of breast segmentation models when data is scarce (Dice scores, 0.91 [without synthetic data], 0.95 [with synthetic data]).