77,008 results match your criteria automation higher

iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces.

J Chem Theory Comput 2021 Jul 27. Epub 2021 Jul 27.

Qingdao Institute for Theoretical and Computational Sciences, Institute of Frontier and Interdisciplinary Science, Shandong University, Qingdao 266237, Shandong, P. R. China.

It is shown that in the spirit of "from fragments to molecule" for localizing molecular orbitals [ 3643], a prechosen set of occupied/virtual valence/core atomic/fragmental orbitals can be transformed to an equivalent set of localized occupied/virtual pre-localized molecular orbitals (pre-LMO), which can then be taken as probes to select the same number of maximally matching localized occupied/virtual Hartree-Fock (HF) or restricted open-shell HF (ROHF) molecular orbitals as the initial local orbitals spanning the desired complete active space (CAS). In each cycle of the self-consistent field (SCF) calculation, the CASSCF orbitals can be localized by means of the noniterative "top-down least-change" algorithm for localizing ROHF orbitals [ 104104] such that the maximum matching between the orbitals of two adjacent iterations can readily be monitored, leading finally to converged localized CASSCF orbitals that overlap most the guess orbitals. Such an approach is to be dubbed as "imposed CASSCF" (iCASSCF or simply iCAS in short) for good reasons: (1) it has been assumed that only those electronic states that have largest projections onto the active space defined by the prechosen atomic/fragmental orbitals are to be targeted. Read More

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Automated Phylogenetic Analysis Using Best Reciprocal BLAST.

Methods Mol Biol 2021 ;2369:41-63

Wellcome Centre for Anti-infectives Research, School of Life Sciences, University of Dundee, Dundee, UK.

Reconstruction of the evolutionary history of specific protein-coding genes is an essential component of the biological sciences toolkit and relies on identification of orthologs (a gene in different organisms related by vertical descent from a common ancestor and usually presumed to have the same or similar function) and paralogs (a gene related to another in the same organism by descent from a single ancestral gene which may, or may not, retain the same/similar function) across a range of taxa. While obviously essential for the reconstruction of evolutionary histories, ortholog identification is of importance for protein expression, modeling for drug discovery programs, identification of critical residues and other studies. Here we describe an automated system for searching for orthologs and paralogs in eukaryotic organisms. Read More

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January 2021

Multimodality-based knee joint modeling method with bone and cartilage structures for total knee arthroplasty.

Int J Med Robot 2021 Jul 26:e2316. Epub 2021 Jul 26.

School of Mechanical Engineering and Automation, Beihang University, Beijing, China.

Objective: We propose a robust and accurate knee joint modeling method with bone and cartilage structures to enable accurate surgical guidance for knee surgery.

Methods: A multimodality registration strategy is proposed to fuse MR and CT images of the femur and tibia separately to remove spatial inconsistency caused by knee bending in CT/MR scans. Automatic segmentation of the femur, tibia, and cartilages is carried out with ROI clustering and intensity analysis based on the multimodal fusion of images. Read More

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A model based on clinico-biochemical characteristics and deep learning features from MR images for assessing necroinflammatory activity in chronic hepatitis B.

J Viral Hepat 2021 Jul 27. Epub 2021 Jul 27.

Department of Radiology, the Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, Guangdong, 510120, China.

Accurate liver necroinflammatory activity diagnosis could guide the clinical decision-making in chronic hepatitis B (CHB) patients.This study aimed to build a non-invasive diagnostic model for liver necroinflammatory activity by incorporating deep learning features and clinico-biochemical characteristics in CHB patients. A total of 239 CHB patients who underwent liver biopsy were recruited and randomly divided into a training cohort (n = 179) and an independent validation cohort (n = 60). Read More

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MagicChem: a MR system based on needs theory for chemical experiments.

Virtual Real 2021 Jul 22:1-16. Epub 2021 Jul 22.

Jing Hengyi Education College, Hangzhou Normal University, Hangzhou, China.

Real chemical experiments may be dangerous or pollute the environment; meanwhile, the preparation of drugs and reagents is time-consuming. Due to the above-mentioned reasons, few experiments can be actually operated by students, which is not conducive to the chemistry learning and the phenomena principle understanding. Recently, due to the impact of Covid-19, many schools adopt online teaching, which is even more detrimental to students' learning of chemistry. Read More

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Quantitative MRI-based radiomics for noninvasively predicting molecular subtypes and survival in glioma patients.

NPJ Precis Oncol 2021 Jul 26;5(1):72. Epub 2021 Jul 26.

Department of Neurosurgery, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China.

Gliomas can be classified into five molecular groups based on the status of IDH mutation, 1p/19q codeletion, and TERT promoter mutation, whereas they need to be obtained by biopsy or surgery. Thus, we aimed to use MRI-based radiomics to noninvasively predict the molecular groups and assess their prognostic value. We retrospectively identified 357 patients with gliomas and extracted radiomic features from their preoperative MRI images. Read More

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Machine Learning-Based Pipette Positional Correction for Automatic Patch Clamp .

eNeuro 2021 Jul-Aug;8(4). Epub 2021 Jul 26.

Georgia Institute of Technology, George W. Woodruff School of Mechanical Engineering, Atlanta, GA 30332.

Patch clamp electrophysiology is a common technique used in neuroscience to understand individual neuron behavior, allowing one to record current and voltage changes with superior spatiotemporal resolution compared with most electrophysiology methods. While patch clamp experiments produce high fidelity electrophysiology data, the technique is onerous and labor intensive. Despite the emergence of patch clamp systems that automate key stages in the typical patch clamp procedure, full automation remains elusive. Read More

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High throughput screening for autophagy.

Methods Cell Biol 2021 23;165:89-101. Epub 2021 Jan 23.

Centre de Recherche des Cordeliers, Équipe 11 Labellisée par la Ligue Contre le Cancer, Université de Paris, Sorbonne Université, Inserm U1138, Institut Universitaire de France, Paris, France; Université Paris Sud, Paris Saclay, Faculty of Medicine, Kremlin-Bicêtre, France. Electronic address:

Robotized high throughput screening allows for the assessment of autophagy in a large number of samples. Here, we describe a drug discovery platform for the phenotypic identification of novel autophagy inducers by means of automated cell biology workflows employing robotized cell culture, sample preparation and data acquisition. In this setting, fluorescent biosensor cells that express microtubule-associated proteins 1A/1B light chain 3B (best known as LC3) conjugated to green fluorescent protein (GFP), are utilized together with automated high content microscopy for the image-based assessment of autophagy. Read More

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January 2021

Quantum Dot Photocatalysts for Organic Transformations.

J Phys Chem Lett 2021 Jul 26:7180-7193. Epub 2021 Jul 26.

Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.

Quantum dots (QDs) with tunable photo-optical properties and colloidal nature are ideal for a wide range of photocatalytic reactions. In particular, QD photocatalysts for organic transformations can provide new and effective synthetic routes to high value-added molecules under mild conditions. In this Perspective, we discuss the advances of employing QDs for visible-light-driven organic transformations categorized into net reductive reactions, net oxidative reactions, and redox neutral reactions. Read More

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[Application and research progress of robotic-arm in total knee arthroplasty].

Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi 2021 Jul;35(7):913-917

Center for Joint Surgery, the First Affiliated Hospital (Southwest Hospital), Army Medical University, Chongqing, 400038, P.R.China.

Objective: To summarize the application and research progress of robotic-arm in total knee arthroplasty (TKA).

Methods: Relevant literature at home and abroad was extensively reviewed to analyze the advantages and disadvantages of robotic-arm assisted TKA (RATKA).

Results: Accurate reconstruction of lower extremity alignment and rotation alignment, accurate osteotomy and implant prosthesis in TKA are very important to improve the effectiveness and prolong the life of the prosthesis. Read More

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[The safety of TiRobot-guided percutaneous transpedicular screw implantation].

Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi 2021 Jul;35(7):813-817

Department of Orthopedics, Sichuan Academy of Medical Science, People's Hospital of Sichuan Province, Chengdu Sichuan, 610072, P.R.China.

Objective: To evaluate the safety of TiRobot-guided percutaneous transpedicular screw implantation.

Methods: The medical records of 158 patients with thoracolumbar fractures and lumbar degenerative diseases who underwent percutaneous transpedicular screw implantation were retrospectively analyzed between January 2018 and December 2020. The patients were divided into trial group (TiRobot-guided screw implantation, 86 cases) and control group (fluoroscopy-guided screw implantation, 72 cases). Read More

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[Effect of robotic-arm assisted total knee arthroplasty on femoral rotation alignment and its short-term effectiveness].

Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi 2021 Jul;35(7):807-812

Center for Joint Surgery, the First Affiliated Hospital (Southwest Hospital), Army Medical University, Chongqing, 400038, P.R.China.

Objective: To investigate the improvement of femoral rotation alignment in total knee arthroplasty (TKA) by robotic-arm assisted positioning and osteotomy and its short-term effectiveness.

Methods: Between June 2020 and November 2020, 60 patients (60 knees) with advanced osteoarthritis of the knee, who met the selection criteria, were selected as the study subjects. Patients were randomly divided into two groups according to the random number table method, with 30 patients in each group. Read More

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Characterization of automatic treatment planning approaches in radiotherapy.

Phys Imaging Radiat Oncol 2021 Jul 13;19:60-65. Epub 2021 Jul 13.

Department of Radiation Oncology, The Netherlands Cancer Institute, Plesmanlaan 121, 1066 CX Amsterdam, The Netherlands.

Background And Purpose: Automatic approaches are widely implemented to automate dose optimization in radiotherapy treatment planning. This study systematically investigates how to configure automatic planning in order to create the best possible plans.

Materials And Methods: Automatic plans were generated using protocol based automatic iterative optimization. Read More

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Machine learning applications in radiation oncology.

Phys Imaging Radiat Oncol 2021 Jul 24;19:13-24. Epub 2021 Jun 24.

South Western Sydney Clinical School, Faculty of Medicine, University of New South Wales, Sydney, NSW, Australia.

Machine learning technology has a growing impact on radiation oncology with an increasing presence in research and industry. The prevalence of diverse data including 3D imaging and the 3D radiation dose delivery presents potential for future automation and scope for treatment improvements for cancer patients. Harnessing this potential requires standardization of tools and data, and focused collaboration between fields of expertise. Read More

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Convolutional neural network-based ensemble methods to recognize Bangla handwritten character.

PeerJ Comput Sci 2021 28;7:e565. Epub 2021 Jun 28.

Department of Computer Science and Engineering, East West University, Dhaka, Bangladesh.

In this era of advancements in deep learning, an autonomous system that recognizes handwritten characters and texts can be eventually integrated with the software to provide better user experience. Like other languages, Bangla handwritten text extraction also has various applications such as post-office automation, signboard recognition, and many more. A large-scale and efficient isolated Bangla handwritten character classifier can be the first building block to create such a system. Read More

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Inferring Trust From Users' Behaviours; Agents' Predictability Positively Affects Trust, Task Performance and Cognitive Load in Human-Agent Real-Time Collaboration.

Front Robot AI 2021 8;8:642201. Epub 2021 Jul 8.

Department of Computer and Information Sciences, University of Strathclyde, Glasgow, United Kingdom.

Collaborative virtual agents help human operators to perform tasks in real-time. For this collaboration to be effective, human operators must appropriately trust the agent(s) they are interacting with. Multiple factors influence trust, such as the context of interaction, prior experiences with automated systems and the quality of the help offered by agents in terms of its transparency and performance. Read More

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Transcriptomic Analysis Identified ARHGAP Family as a Novel Biomarker Associated With Tumor-Promoting Immune Infiltration and Nanomechanical Characteristics in Bladder Cancer.

Front Cell Dev Biol 2021 7;9:657219. Epub 2021 Jul 7.

Department of Urology, Huashan Hospital, Fudan University, Shanghai, China.

Bladder cancer (BCa) is a common lethal urinary malignancy worldwide. The role of ARHGAP family genes in BCa and its association with immuno-microenvironment remain largely unknown. ARHGAP family expression and immune infiltration in BCa were analyzed by bioinformatics analysis. Read More

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Recognition of Flexion and Extension Imagery Involving the Right and Left Arms Based on Deep Belief Network and Functional Near-Infrared Spectroscopy.

J Healthc Eng 2021 29;2021:5533565. Epub 2021 Jun 29.

Brain Cognition and Brain-Computer Intelligence Integration Group, Kunming University of Science and Technology, Kunming 650500, China.

Brain-computer interaction based on motor imagery (MI) is an important brain-computer interface (BCI). Most methods for MI classification are based on electroencephalogram (EEG), and few studies have investigated signal processing based on MI-Functional Near-Infrared Spectroscopy (fNIRS). In addition, there is a need to improve the classification accuracy for MI fNIRS methods. Read More

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Monitoring System-Based Flying IoT in Public Health and Sports Using Ant-Enabled Energy-Aware Routing.

J Healthc Eng 2021 1;2021:1686946. Epub 2021 Jul 1.

Department of Information Technology Specialization, FPT University, Hoa Lac High Tech Park, Hanoi, Vietnam.

In recent decades, the Internet of flying networks has made significant progress. Several aerial vehicles communicate with one another to form flying ad hoc networks. Unmanned aerial vehicles perform a wide range of tasks that make life easier for humans. Read More

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An Attention Mechanism Oriented Hybrid CNN-RNN Deep Learning Architecture of Container Terminal Liner Handling Conditions Prediction.

Bin Li Yuqing He

Comput Intell Neurosci 2021 8;2021:3846078. Epub 2021 Jul 8.

School of Transportation, Fujian University of Technology, Fuzhou 350118, China.

The booming computational thinking and deep learning make it possible to construct agile, efficient, and robust deep learning-driven decision-making support engine for the operation of container terminal handling systems (CTHSs). Within the conceptual framework of computational logistics, an attention mechanism oriented hybrid convolutional neural network and recurrent neural network deep learning architecture (AMO-HCR-DLA) is proposed technically to predict the container terminal liner handling conditions that mainly include liner handling time (LHT) and total working time of quay crane farm (TWT-QCF) for a calling liner. Consequently, the container terminal oriented logistics generalized computation (CTO-LGC) automation and intelligence are established tentatively by AMO-HCR-DLA. Read More

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Introduction and Characteristics of SARS-CoV-2 in North-East of Romania During the First COVID-19 Outbreak.

Front Microbiol 2021 7;12:654417. Epub 2021 Jul 7.

Department of Human Health and Development, Stefan cel Mare University of Suceava, Suceava, Romania.

Romania officially declared its first Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) case on February 26, 2020. The first and largest coronavirus disease 2019 (COVID-19) outbreak in Romania was recorded in Suceava, North-East region of the country, and originated at the Suceava regional county hospital. Following sheltering-in-place measures, infection rates decreased, only to rise again after relaxation of measures. Read More

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Stochastic Force-based Insertion Depth and Tip Position Estimations of Flexible FBG-Equipped Instruments in Robotic Retinal Surgery.

IEEE ASME Trans Mechatron 2021 Jun 8;26(3):1512-1523. Epub 2020 Sep 8.

Laboratory for Computational Sensing and Robotics (LCSR) at the Johns Hopkins University, Baltimore, MD, 21218, USA.

Vitreoretinal surgery is among the most delicate surgical tasks during which surgeon hand tremor may severely attenuate surgeon performance. Robotic assistance has been demonstrated to be beneficial in diminishing hand tremor. Among the requirements for reliable assistance from the robot is to provide precise measurements of system states e. Read More

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A Multi-Tissue Global Estimation Framework for Asymmetric Fiber Orientation Distributions.

Med Image Comput Comput Assist Interv 2018 Sep 13;11072:45-52. Epub 2018 Sep 13.

Department of Radiology and BRIC, University of North Carolina, Chapel Hill, USA.

In connectomics, tractography involves tracing connections across gray-white matter boundaries in gyral blades of complex cortical convolutions. To date, most tractography algorithms exhibit gyral bias with fiber streamlines preferentially terminating at gyral crowns rather than sulcal banks or fundi. In this work, we will demonstrate that a multi-tissue global estimation framework of the asymmetric fiber orientation distribution function (AFODF) will mitigate the effects of gyral bias and will allow fiber streamlines at gyral blades to make sharper turns into the cortical gray matter. Read More

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September 2018

Penalized Geodesic Tractography for Mitigating Gyral Bias.

Med Image Comput Comput Assist Interv 2018 Sep 13;11072:12-19. Epub 2018 Sep 13.

Department of Radiology and BRIC, University of North Carolina, Chapel Hill, USA.

In this paper, we introduce a penalized geodesic tractography (PGT) algorithm for mitigating gyral bias in cortical tractography, which is essential for improving cortical connectomics. Unlike deterministic and probabilistic tractography algorithms that perform one-way tracking, PGT solves a global optimization problem in estimating the pathways connecting multiple regions, instead of local step-by-step orientation tracing. PGT is unconfounded by local false-positive or false-negative fiber orientations and ensures that fiber streamlines that are intended to connect two regions do not terminate prematurely. Read More

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September 2018

Moving average and standard deviation thresholding (MAST): a novel algorithm for accurate R-wave detection in the murine electrocardiogram.

J Comp Physiol B 2021 Jul 25. Epub 2021 Jul 25.

School of Computing, Queen's University, Kingston, ON, Canada.

Advances in implantable radio-telemetry or diverse biologging devices capable of acquiring high-resolution ambulatory electrocardiogram (ECG) or heart rate recordings facilitate comparative physiological investigations by enabling detailed analysis of cardiopulmonary phenotypes and responses in vivo. Two priorities guiding the meaningful adoption of such technologies are: (1) automation, to streamline and standardize large dataset analysis, and (2) flexibility in quality-control. The latter is especially relevant when considering the tendency of some fully automated software solutions to significantly underestimate heart rate when raw signals contain high-amplitude noise. Read More

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Robotic Pharmacy Implementation and Outcomes in Saudi Arabia. A Twenty-One Month Review.

JMIR Hum Factors 2021 Jul 23. Epub 2021 Jul 23.

Medical Affairs, Medication Management Solutions, Becton Dickinson Limited, Dubai, AE.

Background: We describe the introduction, use and evaluation of an automation and integration pharmacy development program in a private facility in Saudi Arabia. The project was specifically undertaken to increase throughput, reduce medication dispensing error rates, improve patient satisfaction, and to free up pharmacists' time for increased face-to-face consultations with patients.

Objective: We forecasted growth of our outpatient service at 25% per annum over 5-year and 10-year horizons and set out to prepare our outpatient pharmacy service to meet this demand. Read More

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Whole-brain Functional Connectivity Dynamics associated with Electroconvulsive Therapy Treatment Response.

Biol Psychiatry Cogn Neurosci Neuroimaging 2021 Jul 22. Epub 2021 Jul 22.

Tri-Institutional Center for Translational Research in Neuroimaging and Data Science (TReNDS), Georgia State University, Georgia Institute of Technology, Emory University, Atlanta, Georgia, United States; Department of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia, United States; Department of Psychiatry, Yale University, School of Medicine, New Haven, Connecticut, United States; Department of Psychology, Computer Science, Neuroscience Institute, and Physics, Georgia State University, Atlanta, Georgia, United States.

Background: Depressive episodes (DEP) characterized by abnormalities in cognitive functions and mood is a leading cause of disability. Electroconvulsive therapy (ECT), which involves a brief electrical stimulation of the anesthesia brain, is one of the most effective treatments used in patients with DEP due to its rapid efficacy.

Methods: In this work, we investigated how dynamic brain functional connectivity responds to ECT and whether the dynamic responses are associated with treatment outcomes and side effects in patients. Read More

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Fixed-time ESO based fixed-time integral terminal sliding mode controller design for a missile.

ISA Trans 2021 Jul 13. Epub 2021 Jul 13.

College of Automation Engineering, Institute of Flight Control, Nanjing University of Aeronautics and Astronautics, Nanjing, 211106, China. Electronic address:

This paper studies a novel fixed-time extended state observer based fixed-time integral terminal sliding mode controller for partial integrated guidance and control design. Firstly, a class of arbitrary-order systems with fixed-time stability is proposed by utilizing homogeneous approach, whose upper bound of convergence time is given. Then, an arbitrary-order fixed-time integral terminal sliding mode control is designed based on the proposed arbitrary-order fixed-time stable system, which avoids the singular problem. Read More

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3D Concrete Printing: A Systematic Review of Rheology, Mix Designs, Mechanical, Microstructural, and Durability Characteristics.

Materials (Basel) 2021 Jul 7;14(14). Epub 2021 Jul 7.

Construction Robot and Automation Laboratory, Department of Civil and Environmental Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722, Korea.

This paper provides a state-of-the-art report on the up-to-date research on the emerging 3D concrete printing technology from the concrete materials perspective. It reviews the recent research focused on understanding and characterizing the rheological necessities of the concrete printing process and discusses how the researchers are tailoring compatible mix proportions for the 3D concrete printing process by using eco-friendly binders, waste aggregates, chemical admixtures, and nano-additives. This paper systematically evaluates anisotropic behavior in the mechanical properties of printed concrete and establishes an order for anisotropic behavior in the compressive, flexural, and tensile strengths along three different axes (, , and axes) of printed concrete. Read More

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Water Extraction Method Based on Multi-Texture Feature Fusion of Synthetic Aperture Radar Images.

Sensors (Basel) 2021 Jul 20;21(14). Epub 2021 Jul 20.

School of Automation, Nanjing Institute of Technology, Nanjing 211167, China.

Lakes play an important role in the water ecosystem on earth, and are vulnerable to climate change and human activities. Thus, the detection of water quality changes is of great significance for ecosystem assessment, disaster warning and water conservancy projects. In this paper, the dynamic changes of the Poyang Lake are monitored by Synthetic Aperture Radar (SAR). Read More

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