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Vibrational spectroscopy investigation of ternary co-crystal formation of nitrofurantoin, nicotinamide and fumaric acid

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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 2025年 338卷 126215页

作者： Yang, Ruizhao Chen, Xiaoqi Wu, Huiping Pang, Wanting Zeng, Xiaoliu Huang, Xianyi Li, Quanfu Li, Tinghui Qin, Binyi Guangxi Normal Univ Coll Phys Sci & Technol Guilin 541004 Peoples R China Yulin Normal Univ Sch Phys & Telecommun Engn Yulin 537000 Peoples R China Guangxi Normal Univ Sch Elect & Informat Engn Guilin 541004 Peoples R China Guangxi Normal Univ Key Lab Brain inspired Comp & Intelligent Chips Guilin Peoples R China Guangxi Normal Univ Educ Dept Guangxi Zhuang Autonomous Reg Key Lab Integrated Circuits & Microsyst Guilin Peoples R China Yulin Normal Univ Guangxi Coll & Univ Key Lab Complex Syst Optimizat & Big Data Proc Yulin 537000 Peoples R China Yulin Normal Univ Ctr Appl Math Guangxi Yulin 537000 Peoples R China

Pharmaceutical co-crystal technology, characterized by its green, simple, efficient, and potent nature, offers unique advantages in optimizing the pharmacological and physicochemical properties of drugs, thus providing an innovative strategy for the development of drug formulations. In this study, we successfully synthesized the nitrofurantoin-nicotinamide-fumaric acid co-crystal using dry grinding and comprehensively characterized it using vibrational spectroscopy techniques. PXRD spectral analysis indicates that the synthesized co-crystal is not merely a reproduction of the individual components or a product of physical mixing of the three, but represents the formation of a novel crystalline phase. This finding is further supported by results from terahertz (THz) spectroscopy and Raman vibrational spectroscopy. Infrared spectroscopy analysis suggests the formation of a cocrystalline structure among nitrofurantoin, nicotinamide, and fumaric acid molecules, mediated by hydrogen bonding interactions. In addition, this study used density functional theory (DFT) to optimize the co-crystal structure, thoroughly investigated key characteristics Hirshfeld surfaces and hydrogen bonds among other weak intermolecular interactions, and successfully determined the corresponding vibrational modes. These nitrofurantoin-nicotinamide-fumaric acid co-crystal, but also provide a treasure of co-crystal structural insights

关键词： Pharmaceutical co-crystal Vibrational spectroscopy Weak intermolecular interactions Vibrational modes DFT theoretical calculations

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Flexible iontronic sensing

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CHEMICAL SOCIETY REVIEWS 2025年第10期54卷 2025 Apr 1页

作者： Li, Yang Bai, Ningning Chang, Yu Liu, Zhiguang Liu, Jianwen Li, Xiaoqin Yang, Wenhao Niu, Hongsen Wang, Weidong Wang, Liu Zhu, Wenhao Chen, Di Pan, Tingrui Guo, Chuan Fei Shen, Guozhen Shandong Univ Sch Integrated Circuits Jinan 250101 Peoples R China Xidian Univ Sch Mechanoelect Engn Xian 710071 Peoples R China Univ Sci & Technol China Dept Precis Machinery & Precis Instrumentat Hefei 230027 Anhui Peoples R China Univ Sci & Technol China Inst Innovat Med Devices Suzhou Inst Adv Res Ctr Intelligent Med Equipment & Devices Suzhou 215123 Jiangsu Peoples R China Univ Jinan Sch Informat Sci & Engn Shandong Prov Key Lab Ubiquitous Intelligent Comp Jinan 250022 Peoples R China Univ Sci & Technol China Dept Modern Mech CAS Key Lab Mech Behav & Design Mat Hefei 230027 Peoples R China Southern Univ Sci & Technol Dept Mat Sci & Engn Shenzhen 518055 Peoples R China Beijing Inst Technol Sch Integrated Circuits & Elect Beijing 100081 Peoples R China

The emerging flexible iontronic sensing (FITS) technology has introduced a novel modality for tactile perception, mimicking the topological structure of human skin while providing a viable strategy for seamless integration with biological systems. With research progress, FITS has evolved from focusing on performance optimization and structural enhancement to a new phase of integration and intelligence, positioning it as a promising candidate for next-generation wearable devices. Therefore, a review from the perspective of technological development trends is essential to fully understand the current state and future potential of FITS devices. In this review, we examine the latest advancements in FITS. We begin by examining the sensing mechanisms of FITS, summarizing research progress in material selection, structural design, and the fabrication of active and electrode layers, while also analysing the challenges and bottlenecks faced by different segments in this field. Next, integrated systems based on FITS devices are reviewed, highlighting their applications in human-machine interaction, healthcare, and environmental monitoring. Additionally, the integration of artificial intelligence into FITS is explored, focusing on optimizing front-end device design and improving the processing and utilization of back-end data. Finally, building on existing research, future challenges for FITS devices are identified and potential solutions are proposed.

关键词： Integration

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Two-step graph propagation for incomplete multi-view clustering

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NEURAL NETWORKS 2025年 183卷 106944页

作者： Zhang, Xiao Pu, Xinyu Che, Hangjun Liu, Cheng Qin, Jun South Cent Minzu Univ Wuhan 430074 Peoples R China South Cent Minzu Univ Key Lab Cyber Phys Fus Intelligent Comp State Ethn Affairs Commiss Wuhan 430074 Peoples R China Southwest Univ Coll Elect & Informat Engn Chongqing 400715 Peoples R China Chongqing Key Lab Nonlinear Circuits & Intelligent Chongqing 400715 Peoples R China Shantou Univ Dept Comp Sci Shantou 515063 Peoples R China Shantou Univ Guangdong Prov Key Lab Infect Dis & Mol Immunopath Shantou 515063 Peoples R China

Incomplete multi-view clustering addresses scenarios where data completeness cannot be guaranteed, diverging from traditional methods that assume fully observed features. Existing approaches often overlook high-order correlations present in multiple similarity graphs, and suffer from inefficiencies due to iterative optimization procedures. To overcome these limitations, we propose a graph-based model leveraging graph propagation to effectively handle incomplete data. The proposed method translates incomplete instances into incomplete graphs, and infers missing entries through a graph propagation strategy, ensuring the inferred data is meaningful and contextually relevant. Specifically, a self-guided graph is constructed to capture global relationships, while partial graphs represent view-specific similarities. The self-guided graph is first completed through self-guided graph propagation, which subsequently aids in the propagation of the partial graphs. The key contribution of graph propagation is to propagate information from complete data to incomplete data. Furthermore, the high-order correlation across multiple views is captured by low-rank tensor learning. To enhance computational efficiency, the optimization procedure is decoupled and implemented in a stepwise manner, eliminating the need for iterative updates. Extensive experiments validate the robustness of the proposed method, demonstrating superior performance compared to state-of-the-art methods, even when all instances are incomplete.

关键词： Incomplete multi-view clustering Graph propagation Low-rank tensor Stepwise optimization

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An index-free sparse neural network using two-dimensional semiconductor ferroelectric field-effect transistors

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NATURE ELECTRONICS 2025年第3期8卷 1-13页

作者： Ning, Hongkai Wen, Hengdi Meng, Yuan Yu, Zhihao Fu, Yuxiang Zou, Xilu Shen, Yilin Luo, Xiai Zhao, Qiyue Zhang, Tao Liu, Lei Zhu, Shitong Li, Taotao Li, Weisheng Li, Li Gao, Li Shi, Yi Wang, Xinran Nanjing Univ Sch Elect Sci & Engn Natl Lab Solid State Microstruct Nanjing Peoples R China Nanjing Univ Collaborat Innovat Ctr Adv Microstruct Nanjing Peoples R China Nanjing Univ Posts & Telecommun Sch Integrated Circuit Sci & Engn Nanjing Peoples R China Suzhou Lab Cent Lab Suzhou Peoples R China Nanjing Univ Sch Integrated Circuits Suzhou Peoples R China Nanjing Univ Interdisciplinary Res Ctr Future Intelligent Chips Suzhou Peoples R China Nanjing Univ Posts & Telecommun Inst Adv Mat Sch Mat Sci & Engn State Key Lab Organ Elect & Informat Displays Nanjing Peoples R China

The fine-grained dynamic sparsity in biological synapses is an important element in the energy efficiency of the human brain. Emulating such sparsity in an artificial system requires off-chip memory indexing, which has a considerable energy and latency overhead. Here, we report an in-memory sparsity architecture in which index memory is moved next to individual synapses, creating a sparse neural network without external memory indexing. We use a compact building block consisting of two non-volatile ferroelectric field-effect transistors acting as a digital sparsity and an analogue weight. The network is formulated as the Hadamard product of the sparsity and weight matrices, and the hardware, which is comprised of 900 ferroelectric field-effect transistors, is based on wafer-scale chemical-vapour-deposited molybdenum disulfide integrated through back-end-of-line processes. With the system, we demonstrate key synaptic processes-including pruning, weight update and regrowth-in an unstructured and fine-grained manner. We also develop a vectorial approximate update algorithm and optimize training scheduling. Through this software-hardware co-optimization, we achieve 98.4% accuracy in an EMNIST letter recognition task under 75% sparsity. Simulations on large neural networks show a tenfold reduction in latency and a ninefold reduction in energy consumption when compared with a dense network of the same performance.

关键词： Energy utilization

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Enhancing the Robustness of Random Boolean Networks by Epigenetic Regulation

IEEE Transactions on Computational Biology and Bioinformatic...

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IEEE Transactions on Computational Biology and Bioinformatics 2025年第1期22卷 261-270页

作者： Junxiu Liu Jufang Dai Qiang Fu Min Su Yuling Luo Sheng Qin Su Yang Lingxi Ma Guangxi Key Lab of Brain-inspired Computing and Intelligent Chips School of Electronic and Information Engineering Guangxi Normal University Guilin China Education Department of Guangxi Zhuang Autonomous Region Key Laboratory of Nonlinear Circuits and Optical Communications Guangxi Normal University Guilin China Department of Computer Science Swansea University Swansea U.K.

Random Boolean Network (RBN) is a type of regulatory network in which the nodes have Boolean values representing their states. The robustness of RBNs against perturbations is a crucial characteristic, and there has been a growing interest in enhancing the network's robustness. In this study, a biologically inspired epigenetic regulation method is proposed to enhance the robustness of the RBNs. A frequency encoding method based on pulse counting is employed to encode the node states within a sliding time window, thereby improving the form of epigenetic regulation. To verify the performance of this method, an antifragility indicator is adopted to measure the robustness of RBNs and yeast cell networks at different scales. The experimental results demonstrate that the networks with epigenetic regulation exhibit excellent robustness, even in the presence of large-scale networks and severe perturbations. This approach provides a new perspective and idea for designing robust RBNs and discrete networks.

关键词： Epigenetics Robustness Regulation Perturbation methods Complexity theory DNA Gene expression Evolution (biology) Encoding Computational biology

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Neuromorphic Visual Computing with ZnMgO QDs-Based UV-Responsive Optoelectronic Synaptic Devices for Image Encryption and Recognition

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SMALL 2025年第15期21卷 e2412531页

作者： Guo, Zilong Kan, Hao Zhang, Jiaqi Li, Yang Univ Jinan Sch Informat Sci & Engn Shandong Prov Key Lab Ubiquitous Intelligent Comp Jinan 250022 Peoples R China Jilin Univ Coll Mat Sci & Engn Minist Educ Key Lab Automobile Mat Changchun 130012 Peoples R China Shandong Univ Sch Integrated Circuits Jinan 250101 Peoples R China

Retina-inspired optoelectronic neuromorphic devices integrating optical sensing and computation are the key components in realizing neuromorphic visual computing. In particular, UV-responsive optoelectronic synaptic devices hold significant value for advanced neuromorphic vision systems, as they can expand human visual perception. Herein, we demonstrate a UV-responsive optoelectronic synaptic device based on ZnMgO quantum dots (QDs) designed for in-sensor computing in neuromorphic vision applications. The device demonstrates voltage-driven short-term and long-term synaptic plasticity, as well as multiple photoinduced synaptic functions. Based on this device, an in-sensor image-blending encryption method has been designed, which can effectively reduce the risk of data leakage during transmission. Furthermore, an in-sensor reservoir computing (RC) system with image processing functions is constructed, which integrates a photonic reservoir layer (PRL) for image preprocessing and a multilayer perceptron (MLP) capable of image recognition. The system achieves 98.6% accuracy in recognizing Fashion-MNIST images and maintains 83% accuracy under 60% random noise, showcasing its robustness. This work introduces a novel approach for developing UV-responsive optoelectronic synaptic devices equipped with dual-mode modulation of both electrical and optical signals, offering new perspectives and solutions for integrated applications in neuromorphic vision systems.

关键词： image processing neuromorphic visual computing optoelectronic synaptic device UV-responsive ZnMgO QDs

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A skin-inspired optoelectromechanically coupled system for 3-axis airflow sensor

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NANO ENERGY 2025年 135卷

作者： Wu, Xiaozhong Zhang, Ziyu Zhao, Haonan Wang, Yang Zhou, Junjie Meng, Deyu He, Yanle Liu, Min Zhang, Yifei Xue, Zhongying Jiang, Chengming Zhang, Miao Di, Zengfeng Mei, Yongfeng Guo, Qinglei Shandong Univ Sch Integrated Circuits Jinan 250100 Peoples R China Fudan Univ Int Inst Intelligent Nanorobots & Nanosyst Dept Mat Sci Shanghai 200438 Peoples R China Chinese Acad Sci Shanghai Inst Microsyst & Informat Technol State Key Lab Mat Integrated Circuits Shanghai 200050 Peoples R China Dalian Univ Technol State Key Lab High Performance Precis Mfg Dalian 116024 Peoples R China

Flexible airflow sensors that can detect the non-contact forces have broad prospects in environmental/climate monitoring, aircraft control, breathing monitoring, and human-computer interaction. Promising results have been achieved in terms of the sensing performances, however more challenging characteristics, such as the tunable detection range of airflow speed and 3-axis detection, are rarely investigated. Here, we demonstrate a skin-inspired optoelectromechanically coupled system, consisting of mechanically deformable elastic pillar array and photodetectors, for 3-axis airflow sensor. The mechanical deformation of elastic pillars induced by airflow can be optoelectrically coupled to photodetectors. As a result, variations in the collected photocurrent provide capabilities to quantitatively determine the speed of the incident airflow. Manipulating the Young's modulus and filling factor of elastic pillar array leads to tunable effective detection range of airflow speed. Through the integration of the developed optoelectromechanically coupled system on a hemispherical substrate, as well as the deep neural network processing, 3-axis airflow sensing is demonstrated. Our study may open an avenue to develop the high-performance airflow sensor, which can be further extended to various types of optoelectricallybased multifunctional sensors or systems by integrating other functional materials.

关键词： Silicon nanomembrane Airflow sensor Skin-inspired electronics Photodetectors Optoelectromechanically coupled systems

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Nanoscale Spatially Resolved Terahertz Response of a PbS-Graphene Heterostructure

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ACS NANO 2025年第11期19卷 10943-10954页

作者： Qiu, Fucheng Feng, Shuanglong Yang, Zhongbo Yang, Chan Chen, Ligang Hu, Min Li, Hua Guo, Yunchang Tian, Zhen Han, Jiaguang Huang, Zhiming Xiong, Qihua Wang, Huabin Chinese Acad Sci Chongqing Inst Green & Intelligent Technol Ctr Super Resolut Opt Chongqing 400714 Peoples R China Chinese Acad Sci Chongqing Inst Green & Intelligent Technol Chongqing Engn Res Ctr High Resolut & Three Dimens Chongqing 400714 Peoples R China Univ Chinese Acad Sci Chongqing Sch Chongqing 400714 Peoples R China Univ Elect Sci & Technol China Terahertz Res Ctr Sch Elect Sci & Engn Chengdu 610054 Peoples R China Chinese Acad Sci Shanghai Inst Microsyst & Informat Technol Natl Key Lab Mat Integrated Circuits Shanghai 200050 Peoples R China Yihuang Wuxi Spectrum Measurement & Control Co Ltd Wuxi 214024 Peoples R China Tianjin Univ Coll Precis Instrument & Optoelect Engn Ctr Terahertz Waves Minist Educ Tianjin 300072 Peoples R China Tianjin Univ Key Lab Optoelect Informat & Technol Minist Educ Tianjin 300072 Peoples R China Chinese Acad Sci Shanghai Inst Tech Phys Natl Lab Infrared Phys Shanghai 200083 Peoples R China Tsinghua Univ State Key Lab Low Dimens Quantum Phys Beijing 100084 Peoples R China Tsinghua Univ Dept Phys Beijing 100084 Peoples R China

Heterostructures have promising applications in photonics and optoelectronics, mainly due to their high electron mobility and broadband photoresponse covering visible, infrared, and terahertz (THz) ranges. However, it is challenging to detect heterostructures in high definition with conventional THz techniques. Here we demonstrate a THz nanoscopic imaging method which is capable of resolving the local THz response of PbS-graphene heterostructures based upon a sophisticated THz near-field optical microscope. The interaction between the THz near field and the heterostructure is further explored by numerical simulations. The results reveal that both the composition and structure of the layers composing the heterostructure contribute to the THz signal. Furthermore, we develop a reliably finite dipole model suitable for retrieving THz optoelectronic properties of multilayered systems from measured THz hyperspectra, and realize mapping the local effective permittivity and conductivity of the heterostructure. Our work discloses the mechanism of the THz response of heterostructures, and provides a useful method for high-definition quantifying complex THz materials and devices.

关键词： terahertz near field permittivity conductivity hyperspectrum finite dipole model

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Direct Visualization of the Impurity Occupancy Road Map in Ni-Substituted van der Waals Ferromagnet Fe3GaTe2

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NANO LETTERS 2025年第11期25卷 4260-4266页

作者： Yuan, Jian Wang, Haonan Hou, Xiaofei Zhang, Binshuo Wei, Yurui Guo, Jiangteng Sun, Lu Yu, Zhenhai Liu, Xiangqi Xia, Wei Wang, Xia Liu, Xuerong Chen, Yulin Zhang, Shihao Fu, Xuewen Qu, Ke Yang, Zhenzhong Guo, Yanfeng ShanghaiTech Univ Sch Phys Sci & Technol Shanghai 201210 Peoples R China East China Normal Univ Shanghai Ctr Brain Inspired Intelligent Mat & Devi Dept Elect Key Lab Polar Mat & Devices MOEMinist Educ Shanghai 200241 Peoples R China ShanghaiTech Univ Sch Informat Sci & Technol Shanghai 201210 Peoples R China Nankai Univ Sch Phys Ultrafast Electron Microscopy Lab Key Lab Weak Light Nonlinear PhotonMinist Educ Tianjin 300071 Peoples R China Hunan Univ Sch Phys & Elect Changsha 410082 Peoples R China ShanghaiTech Univ Analyt Instrumentat Ctr Shanghai 201210 Peoples R China ShanghaiTech Univ ShanghaiTech Lab Topol Phys Shanghai 201210 Peoples R China Univ Oxford Dept Phys Clarendon Lab Oxford OX1 3PU England

Impurity substitution is effective for studying the intrinsic properties of a quantum material. When the target element has multiple Wyckoff positions, it is challenging but essential to know the exact position and occupancy order of the impurity atoms. Via comprehensive experimental and theoretical investigations, we establish the Ni substitution road map in van der Waals ferromagnet Fe3GaTe2. The results unambiguously reveal that in (Fe1-x Ni-x)(3)GaTe2, Ni atoms initially form interlayer gap Ni3 sites when x < 0.1 and then gradually occupy Fe2 sites. When x > 0.75, they start to substitute for Fe1 sites and eventually realize full occupation. Accordingly, T C and saturation moments both show nonlinear decreases tied to the different roles of Ni3, Fe1, and Fe2 sites in the spin Hamiltonian. The results not only yield fruitful insights into the roles of different Fe sites in Fe3GaTe2 but also set a paradigm for the future study of impurity substitution on other quantum materials.

关键词： van der Waals ferromagnet high Curie temperature impurity substitution magnetic exchange

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InspirationOnly: synthesizing expiratory CT from inspiratory CT to estimate parametric response map

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MEDICAL & BIOLOGICAL ENGINEERING & COMPUTING 2025年 1-18页

作者： Zhang, Tiande Pang, Haowen Wu, Yanan Xu, Jiaxuan Liang, Zhenyu Xia, Shuyue Jin, Chenwang Chen, Rongchang Qi, Shouliang Northeastern Univ Coll Med & Biol Informat Engn Shenyang Peoples R China Northeastern Univ Key Lab Intelligent Comp Med Image Minist Educ Shenyang Peoples R China Beijing Inst Technol Sch Integrated Circuits & Elect Beijing Peoples R China Guangzhou Med Univ Natl Ctr Resp Med Natl Clin Res Ctr Resp DisAffiliated Hosp 1 State Key Lab Resp DisGuangzhou Inst Resp Hlth Guangzhou Peoples R China Shenyang Med Coll Cent Hosp Resp Dept Shenyang Peoples R China Xi An Jiao Tong Univ Affiliated Hosp 1 Dept Radiol Xian Peoples R China South Univ Sci & Technol Affiliated Hosp 1 Shenzhen Peoples HospJinan Univ Shenzhen Inst Resp DisKey Lab Resp Dis ShenzhenA Shenzhen Peoples R China

Chronic obstructive pulmonary disease (COPD) is a highly heterogeneous disease with various phenotypes. Registered inspiratory and expiratory CT images can generate the parametric response map (PRM) that characterizes phenotypes' spatial distribution and proportions. However, increased radiation dosage, scan time, quality control, and patient cooperation requirements limit the utility of PRM. This study aims to synthesize a PRM using only inspiratory CT scans. First, a CycleGAN with perceptual loss and a multiscale discriminator (MPCycleGAN) is proposed and trained to synthesize registered expiratory CT images from inspiratory images. Next, a strategy named InspirationOnly is introduced, where synthesized images replace actual expiratory CT images. The image synthesizer outperformed state-of-the-art models, achieving a mean absolute error of 105.66 +/- 36.64 HU, a peak signal-to-noise ratio of 21.43 +/- 1.87 dB, and a structural similarity of 0.84 +/- 0.02. The intraclass correlation coefficients of emphysema, fSAD, and normal proportions between the InspirationOnly and ground truth were 0.995, 0.829, and 0.914, respectively. The proposed MPCycleGAN enables the InspirationOnly strategy to yield PRM using only inspiratory CT. The estimated COPD phenotypes are consistent with those from dual-phase CT and correlated with the spirometry parameters. This offers a potential tool for characterizing phenotypes of COPD, particularly when expiratory CT images are unavailable.

关键词： Deep learning Chronic obstructive pulmonary disease Generative adversarial network Artificial intelligence

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