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Trajectory sampling and finite-size effects in first-principles stopping power calculations

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npj Computational Materials 2023年第1期9卷 238-246页

作者： Alina Kononov Thomas W.Hentschel Stephanie B.Hansen Andrew D.Baczewski Center for Computing Research Sandia National LaboratoriesAlbuquerqueNMUSA School of Applied&Engineering Physics Cornell UniversityIthacaNYUSA Pulsed Power Sciences Center Sandia National LaboratoriesAlbuquerqueNMUSA

Real-time time-dependent density functional theory(TDDFT)is presently the most accurate available method for computing electronic stopping powers from first ***,obtaining application-relevant results often involves either costly averages over multiple calculations or ad hoc selection of a representative ion *** consider a broadly applicable,quantitative metric for evaluating and optimizing trajectories in this *** methodology enables rigorous analysis of the failure modes of various common trajectory choices in crystalline *** randomly selecting trajectories is common practice in stopping power calculations in solids,we show that nearly 30%of random trajectories in an FCC aluminum crystal will not representatively sample the material over the time and length scales feasibly simulated with TDDFT,and unrepresentative choices incur errors of up to 60%.We also show that finite-size effects depend on ion trajectory via“ouroboros”effects beyond the prevailing plasmon-based interpretation,and we propose a cost-reducing scheme to obtain converged results even when expensive core-electron contributions preclude large *** work helps to mitigate poorly controlled approximations in first-principles stopping power calculations,allowing 1–2 order of magnitude cost reductions for obtaining representatively averaged and converged results.

关键词： size prevailing selecting

m^(6)A reader YTHDF1 promotes cardiac fibrosis by enhancing AXL translation

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Frontiers of Medicine 2024年第3期18卷 499-515页

作者： Han Wu Weitao Jiang Ping Pang Wei Si Xue Kong Xinyue Zhang Yuting Xiong Chunlei Wang Feng Zhang Jinglun Song Yang Yang Linghua Zeng Kuiwu Liu Yingqiong Jia Zhuo Wang Jiaming Ju Hongtao Diao Yu Bian Baofeng Yang Department of Pharmacology(national Key Laboratory of Frigid Zone Cardiovascular Diseases the State-Province Key Laboratories of Biomedicine-Pharmaceutics of ChinaKey Laboratory of Cardiovascular ResearchMinistry of Education)College of PharmacyHarbin Medical UniversityHarbin150081China

Cardiac fibrosis caused by ventricular remodeling and dysfunction such as post-myocardial infarction(MI)can lead to heart *** N6-methyladenosine(m^(6)A)methylation has been shown to play a pivotal role in the occurrence and development of many *** investigating the biological function of the m^(6)A reader YTHDF1 in cardiac fibrosis,adeno-associated virus 9 was used to knock down or overexpress the YTHDF1 gene in mouse hearts,and MI surgery in vivo and transforming growth factor-β(TGF-β)-activated cardiac fibroblasts in vitro were performed to establish fibrosis *** results demonstrated that silencing YTHDF1 in mouse hearts can significantly restore impaired cardiac function and attenuate myocardial fibrosis,whereas YTHDF1 overexpression could further enhance cardiac dysfunction and aggravate the occurrence of ventricular pathological remodeling and fibrotic ***,zinc finger BED-type containing 6 mediated the transcriptional function of the YTHDF1 gene ***1 augmented AXL translation and activated the TGF-β-Smad2/3 signaling pathway,thereby aggravating the occurrence and development of cardiac dysfunction and myocardial ***,our data indicated that YTHDF1 was involved in activation,proliferation,and migration to participate in cardiac fibrosis in *** results revealed that YTHDF1 could serve as a potential therapeutic target for myocardial fibrosis.

关键词： cardiac fibrosis YTHDF1 AXL ZBED6 heart failure

Diagnostic performance of intravascular ultrasound-based fractional flow reserve in evaluating of intermediate left main stenosis

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Journal of Geriatric Cardiology 2024年第1期21卷 34-43页

作者： Yong-Gang SUI Cheng YANG Chang-Dong GUAN Yan-Lu XU Na-Qiong WU Wei-Xian YANG Yong-Jian WU Ke-Fei DOU Yue-Jin YANG Shu-Bin QIAO Wei YU Bo XU Sheng-Xian TU Jie QIAN Department of Cardiology Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Catheterization laboratories Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Biomedical Instrument Institute School of Biomedical EngineeringShanghai Jiao Tong UniversityShanghaiChina national Clinical Research Center for Cardiovascular Diseases BeijingChina

BACKGROUND The recently introduced ultrasonic flow ratio(UFR),is a novel fast computational method to derive fractional flow reserve(FFR)from intravascular ultrasound(IVUS)*** the present study,we evaluate the diagnostic performance of UFR in patients with intermediate left main(LM)*** This is a prospective,single center study enrolling consecutive patients with presence of intermediated LM lesions(diameter stenosis of 30%-80%by visual estimation)underwent IVUS and FFR *** independent core laboratory assessed offline UFR and IVUS-derived minimal lumen area(MLA)in a blinded *** Both UFR and FFR were successfully achieved in 41 LM patients(mean age,62.0±9.9 years,46.3%diabetes).An acceptable correlation between UFR and FFR was identified(r=0.688,P50%(AUC=0.66,P<0.001)and numerically higher than IVUS-derived MLA(AUC=0.82;P=0.09).Patient level diagnostic accuracy,sensitivity and specificity for UFR to identify FFR≤0.80 was 82.9%(95%CI:70.2-95.7),93.1%(95%CI:82.2-100.0),58.3%(95%CI:26.3-90.4),*** In patients with intermediate LM diseases,UFR was proved to be associated with acceptable correlation and high accuracy with pressure wire-based FFR as standard *** present study supports the use of UFR for functional evaluation of intermediate LM stenosis.

关键词： stenosis flow fractional

A Correlation-Based Stochastic Model for Massive MIMO Channel

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China Communications 2024年第1期21卷 175-187页

作者： Yang Liu Gang Li Chengxiang Wang national Mobile Communications Research Laboratory School of Information Science and EngineeringSoutheast UniversityNanjing 211189China School of Internet of Things Engineering Jiangnan UniversityWuxi 214122China Pervasive Communication Research Center Purple Mountain LaboratoriesNanjing 211111China

In this paper,the channel impulse response matrix(CIRM)can be expressed as a sum of couplings between the steering vectors at the base station(BS)and the eigenbases at the mobile station(MS).Nakagami distribution was used to describe the fading of the coupling between the steering vectors and the *** measurements were carried out to evaluate the performance of this proposed ***,the physical implications of this model were illustrated and the capacities are *** addition,the azimuthal power spectrum(APS)of several models was ***,the channel hardening effect was simulated and *** showed that the proposed model provides a better fit to the measured results than the other CBSM,i.e.,Weichselberger ***,the proposed model can provide better tradeoff between accuracy and complexity in channel *** CIRM model can be used for massive MIMO design in the future communication system design.

关键词： CBSM channel capacity channel hardening channel modeling massive MIMO

The evolution of cancer genomic medicine in Japan and the role of the national Cancer Center Japan

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Cancer Biology & Medicine 2024年第1期21卷 29-44页

作者： Teruhiko Yoshida Yasushi Yatabe Ken Kato Genichiro Ishii Akinobu Hamada Hiroyuki Mano Kuniko Sunami Noboru Yamamoto Takashi Kohno Department of Genetic Medicine and Services National Cancer Center HospitalTokyo 104-0045Japan Department of Diagnostic Pathology National Cancer Center HospitalTokyo 104-0045Japan Clinical Research Support Offce Clinical Research Coordinating SectionBiobank Translational Research Support SectionNational Cancer Center HospitalTokyo 104-0045Japan Department of Pathology and Clinical laboratories National Cancer Center Hospital EastChiba 277-8577Japan Division of Molecular Pharmacology National Cancer Center Research InstituteTokyo 104-0045Japan national Cancer Center Research Institute Tokyo 104-0045Japan Department of Laboratory Medicine National Cancer Center HospitalTokyo 104-0045Japan Department of Experimental Therapeutics National Cancer Center HospitalTokyo 104-0045Japan Division of Genome Biology National Cancer Center Research InstituteTokyo 104-0045Japan

The journey to implement cancer genomic medicine(CGM)in oncology practice began in the 1980s,which is considered the dawn of genetic and genomic cancer *** the time,a variety of activating oncogenic alterations and their functional significance were unveiled in cancer cells,which led to the development of molecular targeted therapies in the 2000s and *** CGM is still a relatively new discipline and it is difficult to predict to what extent CGM will benefit the diverse pool of cancer patients,the national Cancer Center(NCC)of Japan has already contributed considerably to CGM advancement for the conquest of *** back at these past achievements of the NCC,we predict that the future of CGM will involve the following:1)A biobank of paired cancerous and non-cancerous tissues and cells from various cancer types and stages will be *** quantity and quality of these samples will be compatible with omics *** biobank samples will be linked to longitudinal clinical information.2)New technologies,such as whole-genome sequencing and artificial intelligence,will be introduced and new bioresources for functional and pharmacologic analyses(e.g.,a patient-derived xenograft library)will be systematically deployed.3)Fast and bidirectional translational research(bench-to-bedside and bedside-to-bench)performed by basic researchers and clinical investigators,preferably working alongside each other at the same institution,will be implemented;4)Close collaborations between academia,industry,regulatory bodies,and funding agencies will be established.5)There will be an investment in the other branch of CGM,personalized preventive medicine,based on the individual's genetic predisposition to cancer.

关键词： Cancer genomic medicine biobank patient-derived xenograft multi-gene panel test whole genome sequencing

Decoding defect statistics from diffractograms via machine learning

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npj Computational Materials 2021年第1期7卷 601-609页

作者： Cody Kunka Apaar Shanker Elton Y.Chen Surya R.Kalidindi Rémi Dingreville Center for Integrated Nanotechnologies Sandia National LaboratoriesAlbuquerqueNMUSA.2Georgia Institute of TechnologyAtlantaGAUSA

Diffraction techniques can powerfully and nondestructively probe materials while maintaining high resolution in both space and ***,these characterizations have been limited and sometimes even erroneous due to the difficulty of decoding the desired material information from features of the ***,these features are identified non-comprehensively via human intuition,so the resulting models can only predict a subset of the available structural *** the present work we show(i)how to compute machine-identified features that fully summarize a diffractogram and(ii)how to employ machine learning to reliably connect these features to an expanded set of structural *** exemplify this framework,we assessed virtual electron diffractograms generated from atomistic simulations of irradiated *** based on machine-identified features rather than human-identified features,our machine-learning model not only predicted one-point statistics(***)but also a two-point statistic(*** distribution)of the defect ***,this work demonstrates that machine-learning models that input machine-identified features significantly advance the state of the art for accurately and robustly decoding diffractograms.

关键词： diff learning defect

Mitigating set-stuck failure in 3D phase change memory: substituting square pulses with surge pulses

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Science China(Information Sciences) 2024年第5期67卷 295-301页

作者： Ninghua LI Wang CAI Jun XIANG Hao TONG Weiming CHENG Xiangshui MIAO School of Integrated Circuits Huazhong University of Science and Technology Hubei Yangtze Memory laboratories Hubei Institute of Measurement and Testing Technology

In the devices that integrate phase change memory(PCM) and ovonic threshold switching(OTS),the OTS threshold voltage often surpasses the RESET operation voltage of PCM. The conventional application of square pulses hinders the successful completion of the SET operation in these integrated devices. To address this challenge, a novel pulse called the surge pulse is introduced, which comprises a high amplitude pulse for OTS activation and a low amplitude pulse for PCM operation. By employing COMSOL simulation,the operational effectiveness of both square pulses and surge pulses is validated. Test results reveal that using a square pulse to operate the integrated device accelerates the occurrence of SET-stuck failure(SSF).In contrast, the surge pulse enables the integrated device to operate for at least 1000 cycles while preserving the essential cyclic characteristics. Additionally, an investigation into the overshoot component of the surge pulse is conducted, revealing that an increase in overshoot amplitude and pulse width also accelerates the emergence of SSF. By applying the theory of ion migration induced by the electric field, the root cause of SSF in integrated devices is explained, and the accuracy of the theory is validated through the application of a reverse pulse. In summary, this study elucidates the rationality of replacing the square pulse with a surge pulse, presenting a superior approach for operating PCM and OTS integrated devices.

关键词： surge pulse phase change memory (PCM) integration SET-stuck failure (SSF) square pulse

Improved Belief Propagation Decoder for LDPC-CRC-Polar Codes with Bit-Freezing

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China Communications 2024年第7期21卷 135-148页

作者： Qasim Jan Yin Chao Pan Zhiwen Muhammad Furqan Zakir Ali You Xiaohu national Mobile Communications Research Laboratory Southeast UniversityNanjing 210096China Purple Mountain laboratories Nanjing 211100China Department of Computer Science National University of Computer and Emerging Sciences Peshawar Campus 25100Pakistan Department of Software Engineering Capital University of Science and Technology(CUST)Islamabad 44000Pakistan Department of Computer Sciences Bahria University Lahore CampusPakistan

Though belief propagation bit-flip(BPBF)decoding improves the error correction performance of polar codes,it uses the exhaustive flips method to achieve the error correction performance of CA-SCL decoding,thus resulting in high decoding complexity and *** alleviate this issue,we incorporate the LDPC-CRC-Polar coding scheme with BPBF and propose an improved belief propagation decoder for LDPC-CRC-Polar codes with bit-freezing(LDPCCRC-Polar codes BPBFz).The proposed LDPCCRC-Polar codes BPBFz employs the LDPC code to ensure the reliability of the flipping set,i.e.,critical set(CS),and dynamically update *** modified CS is further utilized for the identification of error-prone *** proposed LDPC-CRC-Polar codes BPBFz obtains remarkable error correction performance and is comparable to that of the CA-SCL(L=16)decoder under medium-to-high signal-to-noise ratio(SNR)*** gains up to 1.2dB and 0.9dB at a fixed BLER=10-4compared with BP and BPBF(CS-1),*** addition,the proposed LDPC-CRC-Polar codes BPBFz has lower decoding latency compared with CA-SCL and BPBF,i.e.,it is 15 times faster than CA-SCL(L=16)at high SNR regions.

关键词： belief propagation bit-flipping concatenated codes LDPC-CRC-Polar codes polar codes

Development and validation of a model integrating clinical and coronary lesion-based functional assessment for longterm risk prediction in PCI patients

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Journal of Geriatric Cardiology 2024年第1期21卷 44-63页

作者： Shao-Yu WU Rui ZHANG Sheng YUAN Zhong-Xing CAI Chang-Dong GUAN Tong-Qiang ZOU Li-Hua XIE Ke-Fei DOU State Key Laboratory of Cardiovascular Disease BeijingChina Cardiometabolic Medicine Center Fu Wai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Catheterization laboratories Fu Wai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina Department of Cardiology Fu Wai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina

OBJECTIVES To establish a scoring system combining the ACEF score and the quantitative blood flow ratio(QFR) to improve the long-term risk prediction of patients undergoing percutaneous coronary intervention(PCI).METHODS In this population-based cohort study, a total of 46 features, including patient clinical and coronary lesion characteristics, were assessed for analysis through machine learning models. The ACEF-QFR scoring system was developed using 1263consecutive cases of CAD patients after PCI in PANDA Ⅲ trial database. The newly developed score was then validated on the other remaining 542 patients in the *** In both the Random Forest Model and the Deep Surv Model, age, renal function(creatinine), cardiac function(LVEF)and post-PCI coronary physiological index(QFR) were identified and confirmed to be significant predictive factors for 2-year adverse cardiac events. The ACEF-QFR score was constructed based on the developmental dataset and computed as age(years)/EF(%) + 1(if creatinine ≥ 2.0 mg/d L) + 1(if post-PCI QFR ≤ 0.92). The performance of the ACEF-QFR scoring system was preliminarily evaluated in the developmental dataset, and then further explored in the validation dataset. The ACEF-QFR score showed superior discrimination(C-statistic = 0.651;95% CI: 0.611-0.691, P < 0.05 versus post-PCI physiological index and other commonly used risk scores) and excellent calibration(Hosmer–Lemeshow χ^(2)= 7.070;P = 0.529) for predicting 2-year patient-oriented composite endpoint(POCE). The good prognostic value of the ACEF-QFR score was further validated by multivariable Cox regression and Kaplan–Meier analysis(adjusted HR = 1.89;95% CI: 1.18–3.04;log-rank P < 0.01) after stratified the patients into high-risk group and low-risk *** An improved scoring system combining clinical and coronary lesion-based functional variables(ACEF-QFR)was developed, and its ability for prognostic prediction in patients with PCI was further validated to be signi

关键词： patients coronary prediction