Nanomaterials (Basel)
November 2024
The computer-assisted inverse design of photonic computing, especially by leveraging artificial intelligence algorithms, offers great convenience to accelerate the speed of development and improve calculation accuracy. However, traditional thickness-based modulation methods are hindered by large volume and difficult fabrication process, making it hard to meet the data-driven requirements of flexible light modulation. Here, we propose a diffractive deep neural network (DNN) framework based on a three-layer all-dielectric phased transmitarray as hidden layers, which can perform the classification of handwritten digits.
View Article and Find Full Text PDFComput Struct Biotechnol J
October 2023
Synthetic lethal (SL) pairs are pairs of genes whose simultaneous loss-of-function results in cell death, while a damaging mutation of either gene alone does not affect the cell's survival. This makes SL pairs attractive targets for precision cancer therapies, as targeting the unimpaired gene of the SL pair can selectively kill cancer cells that already harbor the impaired gene. Limited by the difficulty of finding true SL pairs, especially on specific cell types, current computational approaches provide only limited insights because of overlooking the crucial aspects of cellular context dependency and mechanistic understanding of SL pairs.
View Article and Find Full Text PDFLipophilicity is a fundamental physical property that significantly affects various aspects of drug behavior, including solubility, permeability, metabolism, distribution, protein binding, and toxicity. Accurate prediction of lipophilicity, measured by the logD7.4 value (the distribution coefficient between n-octanol and buffer at physiological pH 7.
View Article and Find Full Text PDFUsing DNA methylation profiles ( = 15,456) from 348 mammalian species, we constructed phyloepigenetic trees that bear marked similarities to traditional phylogenetic ones. Using unsupervised clustering across all samples, we identified 55 distinct cytosine modules, of which 30 are related to traits such as maximum life span, adult weight, age, sex, and human mortality risk. Maximum life span is associated with methylation levels in subclass homeobox genes and developmental processes and is potentially regulated by pluripotency transcription factors.
View Article and Find Full Text PDFThree-dimensional (3D) conformations of a small molecule profoundly affect its binding to the target of interest, the resulting biological effects, and its disposition in living organisms, but it is challenging to accurately characterize the conformational ensemble experimentally. Here, we proposed an autoregressive torsion angle prediction model Tora3D for molecular 3D conformer generation. Rather than directly predicting the conformations in an end-to-end way, Tora3D predicts a set of torsion angles of rotatable bonds by an interpretable autoregressive method and reconstructs the 3D conformations from them, which keeps structural validity during reconstruction.
View Article and Find Full Text PDFClaims surrounding exceptional longevity are sometimes disputed or dismissed for lack of credible evidence. Here, we present three DNA methylation-based age estimators (epigenetic clocks) for verifying age claims of centenarians. The three centenarian clocks were developed based on n = 7039 blood and saliva samples from individuals older than 40, including n = 184 samples from centenarians, 122 samples from semi-supercentenarians (aged 105 +), and 25 samples from supercentenarians (aged 110 +).
View Article and Find Full Text PDFBecause of helical phase wavefront distribution, vortex electromagnetic waves are considered to carry more information and additional degrees of freedom than traditional spherical waves. Therefore, a vortex wave carrying orbital angular momentum (OAM) can improve inversion and imaging accuracy. In this work, we revisit the reconstruction of three-dimensional objects in layered composite structures extended with OAM.
View Article and Find Full Text PDFDuring the past few years, a lot of efforts have been devoted in studying optical analog computing with artificial structures. Up to now, much of them are primarily focused on classical mathematical operations. How to use artificial structures to simulate quantum algorithm is still to be explored.
View Article and Find Full Text PDFPurpose: To investigate the feasibility of automatic identification and classification of hip fractures using deep learning, which may improve outcomes by reducing diagnostic errors and decreasing time to operation.
Materials And Methods: Hip and pelvic radiographs from 1118 studies were reviewed, and 3026 hips were labeled via bounding boxes and classified as normal, displaced femoral neck fracture, nondisplaced femoral neck fracture, intertrochanteric fracture, previous open reduction and internal fixation, or previous arthroplasty. A deep learning-based object detection model was trained to automate the placement of the bounding boxes.
Zeolitic imidazolate frameworks (ZIFs), a group of metal-organic frameworks (MOFs), hold promise as building blocks in electromagnetic (EM) wave absorbing/shielding materials and devices. In this contribution, we proposed a facile strategy to synthesize three-dimensional ZIF-67-based hierarchical heterostructures through coordinated reaction of a preceramic component, poly(dimethylsilylene)diacetylene (PDSDA) with ZIF-67, followed by carbonizing the PDSDA-wrapped ZIF at high temperature. The introduction of PDSDA leads to controllable generation of a surface network containing branched carbon nanotubes and regional distributed graphitic carbons, in addition to the nanostructures with a well-defined size and porous surface made by cobalt nanoparticles.
View Article and Find Full Text PDFMetamaterials, artificially structured electromagnetic (EM) materials, have enabled the realization of many unconventional EM properties not found in nature, such as negative refractive index, magnetic response, invisibility cloaking, and so on. Based on these man-made materials with novel EM properties, various devices are designed and realized. However, quantum analog devices based on metamaterials have not been achieved so far.
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