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ML-DTI: Mutual Learning Mechanism for Interpretable Drug-Target Interaction Prediction.

J Phys Chem Lett 2021 May 27;12(17):4247-4261. Epub 2021 Apr 27.

Artificial Intelligence Medical Center, School of Intelligent Systems Engineering, Sun Yat-sen University, Shenzhen 510275, China.

Deep learning (DL) provides opportunities for the identification of drug-target interactions (DTIs). The challenges of applying DL lie primarily with the lack of interpretability. Also, most of the existing DL-based methods formulate the drug and target encoder as two independent modules without considering the relationship between them. Read More

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GraphRegNet: Deep Graph Regularisation Networks on Sparse Keypoints for Dense Registration of 3D Lung CTs.

IEEE Trans Med Imaging 2021 Apr 19;PP. Epub 2021 Apr 19.

In the last two years learning-based methods have started to show encouraging results in different supervised and unsupervised medical image registration tasks. Deep neural networks enable (near) real time applications through fast inference times and have tremendous potential for increased registration accuracies by task-specific learning. However, estimation of large 3D deformations, for example present in inhale to exhale lung CT or interpatient abdominal MRI registration, is still a major challenge for the widely adopted U-Net-like network architectures. Read More

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Self-organized Operational Neural Networks with Generative Neurons.

Neural Netw 2021 Mar 17;140:294-308. Epub 2021 Mar 17.

Department of Computing Sciences, Tampere University, Finland. Electronic address:

Operational Neural Networks (ONNs) have recently been proposed to address the well-known limitations and drawbacks of conventional Convolutional Neural Networks (CNNs) such as network homogeneity with the sole linear neuron model. ONNs are heterogeneous networks with a generalized neuron model. However the operator search method in ONNs is not only computationally demanding, but the network heterogeneity is also limited since the same set of operators will then be used for all neurons in each layer. Read More

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Selective removal of over-paintings from "Street Art" using an environmentally friendly nanostructured fluid loaded in highly retentive hydrogels.

J Colloid Interface Sci 2021 Aug 26;595:187-201. Epub 2021 Mar 26.

CSGI, Center for Colloids and Surface Science, University of Florence, via della Lastruccia, 3, 50019, Sesto Fiorentino, FI, Italy. Electronic address:

Hypothesis: The removal of over-paintings or graffiti is a priority for conservators and restorers. This operation is complex, especially when over-paintings lay on painted surfaces that must be preserved, as in the case of vandalism on street art, where the layers are usually chemically similar. Traditional methodologies often do not provide satisfactory results and pose health and eco-compatibility concerns. Read More

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Sunscreens Containing Cyclodextrin Inclusion Complexes for Enhanced Efficiency: A Strategy for Skin Cancer Prevention.

Molecules 2021 Mar 18;26(6). Epub 2021 Mar 18.

School of Life Sciences, Pharmacy and Chemistry, SEC Faculty, Kingston University, Kingston-upon-Thames KT1 2EE, UK.

Unprotected exposure of skin to solar ultraviolet radiation (UVR) may damage the DNA of skin cells and can lead to skin cancer. Sunscreens are topical formulations used to protect skin against UVR. The active ingredients of sunscreens are UV filters that absorb, scatter, and/or reflect UVR. Read More

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Learning Generalisable Omni-Scale Representations for Person Re-Identification.

IEEE Trans Pattern Anal Mach Intell 2021 Mar 26;PP. Epub 2021 Mar 26.

An effective person re-identification (re-ID) model should learn feature representations that are both discriminative, for distinguishing similar-looking people, and generalisable, for deployment across datasets without any adaptation. In this paper, we develop novel CNN architectures to address both challenges. First, we present a re-ID CNN termed omni-scale network (OSNet) to learn features that not only capture different spatial scales but also encapsulate a synergistic combination of multiple scales, namely omni-scale features. Read More

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Comparison Study of the Effects of Cationic Liposomes on Delivery across 3D Skin Tissue and Whitening Effects in Pigmented 3D Skin.

Macromol Biosci 2021 Mar 13:e2000413. Epub 2021 Mar 13.

Department of Biomedical Science, Kangwon National University, Chuncheon, 24341, Republic of Korea.

Charged phospholipids are employed to formulate liposomes with different surface charges to enhance the permeation of active ingredients through epidermal layers. Although 3D skin tissue is widely employed as an alternative to permeation studies using animal skin, only a small number of studies have compared the difference between these skin models. Liposomal delivery strategies are investigated herein, through 3D skin tissue based on their surface charges. Read More

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Phase-shift determination for a 4  ×  4 intelligent photonic neural network with compatible learning.

Appl Opt 2021 Mar;60(7):2100-2108

Intelligent photonic circuits (IPCs) tuned with an appropriate phase-shift vector could enable a photonic intelligent matrix possibly implemented in multiple neural layers for a task-oriented topologies. A photonic Mach-Zehnder Interferometer (MZI) is a fundamental photonic component in IPCs, whose matrix representation could be broadcasted into an arbitrary matrix that is equipped with an optimized phase-shift vector. The initialized MZIs' phases are tentatively probed between analytical elements and a digital weight matrix that is learned from samples with efficient compatible learning for complex-valued neural networks. Read More

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Contrastive Similarity Matching for Supervised Learning.

Neural Comput 2021 Feb 22:1-29. Epub 2021 Feb 22.

John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, U.S.A.

We propose a novel biologically plausible solution to the credit assignment problem motivated by observations in the ventral visual pathway and trained deep neural networks. In both, representations of objects in the same category become progressively more similar, while objects belonging to different categories become less similar. We use this observation to motivate a layer-specific learning goal in a deep network: each layer aims to learn a representational similarity matrix that interpolates between previous and later layers. Read More

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February 2021

Unsupervised Learning for Spherical Surface Registration.

Mach Learn Med Imaging 2020 Oct 29;12436:373-383. Epub 2020 Sep 29.

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

Current spherical surface registration methods achieve good performance on alignment and spatial normalization of cortical surfaces across individuals in neuroimaging analysis. However, they are computationally intensive, since they have to optimize an objective function independently for each pair of surfaces. In this paper, we present a fast learning-based algorithm that makes use of the recent development in spherical Convolutional Neural Networks (CNNs) for spherical cortical surface registration. Read More

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October 2020

DeepVesselNet: Vessel Segmentation, Centerline Prediction, and Bifurcation Detection in 3-D Angiographic Volumes.

Front Neurosci 2020 8;14:592352. Epub 2020 Dec 8.

Department of Computer Science, TU München, München, Germany.

We present DeepVesselNet, an architecture tailored to the challenges faced when extracting vessel trees and networks and corresponding features in 3-D angiographic volumes using deep learning. We discuss the problems of low execution speed and high memory requirements associated with full 3-D networks, high-class imbalance arising from the low percentage (<3%) of vessel voxels, and unavailability of accurately annotated 3-D training data-and offer solutions as the building blocks of DeepVesselNet. First, we formulate 2-D orthogonal cross-hair filters which make use of 3-D context information at a reduced computational burden. Read More

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December 2020

Utilization of PEGylated cerosomes for effective topical delivery of fenticonazole nitrate: characterization, statistical optimization, and assessment.

Drug Deliv 2021 Dec;28(1):1-9

Department of Pharmaceutics, Faculty of Pharmacy, Fayoum University, Elfayoum, Egypt.

In this investigation, we focused on ceramide IIIB, a skin component whose depletion tends to augment multiple skin disorders and fungal infections. Ceramide IIIB was included into PEGylated surfactant-based vesicular phospholipid system to formulate 'PEGylated cerosomes' (PCs) loaded with fenticonazole nitrate (FTN). FTN is a potent antifungal agent adopted in the treatment of mixed mycotic and bacterial infections. Read More

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December 2021

Should we remain hopeful? The key 8 weeks: spatiotemporal epidemic characteristics of COVID-19 in Sichuan Province and its comparative analysis with other provinces in China and global epidemic trends.

BMC Infect Dis 2020 Nov 5;20(1):807. Epub 2020 Nov 5.

Sichuan Center for Disease Control and Prevention, No. 6 Zhongxue Rd, Chengdu, 610041, China.

Background: The COVID-19 spread worldwide quickly. Exploring the epidemiological characteristics could provide a basis for responding to imported cases abroad and to formulate prevention and control strategies in areas where COVID-19 is still spreading rapidly.

Methods: The number of confirmed cases, daily growth, incidence and length of time from the first reported case to the end of the local cases (i. Read More

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November 2020

Transcutol P Containing SLNs for Improving 8-Methoxypsoralen Skin Delivery.

Pharmaceutics 2020 Oct 15;12(10). Epub 2020 Oct 15.

Department of Life and Environmental Sciences, Unit of Drug Sciences, University of Cagliari, 09124 Cagliari, Italy.

Topical psoralens plus ultraviolet A radiation (PUVA) therapy consists in the topical application of 8-methoxypsoralen (8-MOP) followed by the skin irradiation with ultraviolet A radiation. The employment of classical 8-MOP vehicles in topical PUVA therapy is associated with poor skin deposition and weak skin permeability of psoralens, thus requiring frequent drug administration. The aim of the present work was to formulate solid lipid nanoparticles (SLNs) able to increase the skin permeation of 8-MOP. Read More

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October 2020

Detecting Dynamic Community Structure in Functional Brain Networks Across Individuals: A Multilayer Approach.

IEEE Trans Med Imaging 2021 Feb 2;40(2):468-480. Epub 2021 Feb 2.

Objective: We present a unified statistical framework for characterizing community structure of brain functional networks that captures variation across individuals and evolution over time. Existing methods for community detection focus only on single-subject analysis of dynamic networks; while recent extensions to multiple-subjects analysis are limited to static networks.

Method: To overcome these limitations, we propose a multi-subject, Markov-switching stochastic block model (MSS-SBM) to identify state-related changes in brain community organization over a group of individuals. Read More

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February 2021

A Novel Nanoemulsion Intermediate Gel as a Promising Approach for Delivery of Itraconazole: Design, In Vitro and Ex Vivo Appraisal.

AAPS PharmSciTech 2020 Oct 6;21(7):272. Epub 2020 Oct 6.

Pharmaceutics Department, Faculty of Pharmacy, Minia University, P.O. Box: 61111, Minia, Egypt.

The aim the study was to design, formulate, and evaluate self-nanoemulsifying drug delivery systems (SNEDDS) of itraconazole for improving the topical antifungal properties of the drug by adopting the nanoemulsion intermediate gel of the optimized system. Solubility study was conducted to select the most appropriate oils and surfactants for formulation. Different possible systems were created. Read More

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October 2020

Formulation and evaluation of resveratrol loaded cubosomal nanoformulation for topical delivery.

Curr Drug Deliv 2020 Sep 2. Epub 2020 Sep 2.

Dr. Prabhakar Kore Basic Science Research Center, KLE Academy of Higher Education and Research, Nehru Nagar, Belagavi-590010, Karnataka. India.

Aim: The aim of the study was to formulate, characterize, and evaluate the resveratrol-loaded cubosomes (RC) through topical application.

Background: Resveratrol (RV) is a nutraceutical compound that has exciting pharmacological potential in different diseases including cancers. Many studies of resveratrol have been reported for anti-melanoma activity. Read More

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September 2020

Practical Challenges of Mask-to-Mask Encounters with Patients with Head and Neck Cancers amid the Coronavirus Disease 2019 Pandemic.

Adv Radiat Oncol 2020 Jul-Aug;5(4):651-655. Epub 2020 May 27.

Department of Radiation Oncology, University of North Carolina School of Medicine, Chapel Hill, North Carolina.

The coronavirus disease 2019 (COVID-19) pandemic has forced a re-design of care in radiation oncology. Perhaps more than any other disease site we commonly see, the evaluation and treatment of head and neck cancer has posed the greatest risk of COVID-19 transmission between patients and radiotherapy providers. In our early experience with the novel coronavirus, several staff members were exposed to a COVID-positive patient and this caused us to devise policies and procedures to mitigate further risk in a way that could practically be employed across a large health system while not compromising care delivery. Read More

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Fabrication of moiré on curved surfaces.

Opt Express 2020 Jun;28(13):19413-19427

Moiré is an appealing visual effect observable when two or more repetitive patterns are superposed. Fabrication of moiré effects has already proven to be useful in a range of applications, from art to engineering. Here, we introduce a method for designing and fabricating level-line moirés on curved surfaces. Read More

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Topical instillation of triamcinolone acetonide-loaded emulsomes for posterior ocular delivery: statistical optimization and in vitro-in vivo studies.

Drug Deliv Transl Res 2021 Jun;11(3):984-999

Faculty of Pharmacy, The Maharaja Sayajirao University of Baroda, Kalabhavan, Vadodara, Gujarat, 390 001, India.

The objective of the present investigation was to formulate and characterize a novel lipid-based carrier-emulsomes loaded with triamcinolone acetonide (TA)/Nile red (NR) for non-invasive delivery to the posterior segment of the eye upon topical application. To optimize and delineate the effect of independent variables on dependent variables, Box-Behnken design (BBD) was adopted. The optimized batch was characterized for size, zeta potential, surface morphology by transmission electron microscopy, drug-excipient interaction by differential scanning calorimetry, osmolarity, pH, ex vivo transcorneal permeation, and stability studies. Read More

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A simple technique for the fabrication of P(St-BA-AA) colloidal crystal microdots on ink-jet paper.

Heliyon 2020 Jun 11;6(6):e04196. Epub 2020 Jun 11.

Department of Chemistry, University of Benin, Benin City, Nigeria.

The generation of three-dimensional superb packages of compact hexagonal periodic assembly with multifaceted layers was demonstrated using Poly (styrene-butylcrylate-acrylic acid) on glass substrates. The synthesized P(St-BA-AA) microspheres were used to formulate a fast drying UV curable terpolymer microspheres printing ink for the generation of colloidal crystal microdots on ink-jet paper with remarkable colours. The terpolymer microspheres and their formulated terpolymer ink undergo self-assembly to form blue monochromatic and viewing angle dependent tunable colours, thus affirming the photonic nature of the generated colloidal crystal films. Read More

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Missing data imputation with adversarially-trained graph convolutional networks.

Neural Netw 2020 Sep 13;129:249-260. Epub 2020 Jun 13.

Department of Information Engineering, Electronics and Telecommunications (DIET), Sapienza University of Rome, Via Eudossiana 18, 00184 Rome, Italy.

Missing data imputation (MDI) is the task of replacing missing values in a dataset with alternative, predicted ones. Because of the widespread presence of missing data, it is a fundamental problem in many scientific disciplines. Popular methods for MDI use global statistics computed from the entire dataset (e. Read More

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September 2020

New approach of water quantity vulnerability assessment using satellite images and GIS-based model: An application to a case study in Vietnam.

Sci Total Environ 2020 Oct 29;737:139784. Epub 2020 May 29.

Joint Research Centre for Protective Infrastructure Technology and Environmental Green Bioprocess, School of Environmental and Municipal Engineering, Tianjin Chengjian University, Tianjin 300384, China.

Water deficiency due to climate change and the world's population growth increases the demand for the water industry to carry out vulnerability assessments. Although many studies have been done on climate change vulnerability assessment, a specific framework with sufficient indicators for water vulnerability assessment is still lacking. This highlights the urgent need to devise an effective model framework in order to provide water managers and authorities with the level of water exposure, sensitivity, adaptive capacity and water vulnerability to formulate their responses in implementing water management strategies. Read More

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October 2020

Inhibitory Effect of Roselle Aqueous Extracts-HPMC 6000 Gel on the Growth of ATCC 25923.

Turk J Pharm Sci 2020 Apr 24;17(2):190-196. Epub 2020 Apr 24.

Airlangga University, Faculty of Pharmacy, Department of Pharmaceutics, Surabaya, Indonesia.

Objectives: Roselle ( L.) is a medicinal plant commonly used as a beverage and herbal medicine. Complex compounds in the aqueous extracts have provided good antibacterial activity by which the growth of gram-negative and -positive bacteria is inhibited. Read More

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Real-Time Correlation Tracking via Joint Model Compression and Transfer.

IEEE Trans Image Process 2020 Apr 28. Epub 2020 Apr 28.

Correlation filters (CF) have received considerable attention in visual tracking because of their computational efficiency. Leveraging deep features via off-the-shelf CNN models (e.g. Read More

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Sinking flux of particulate organic matter in the oceans: Sensitivity to particle characteristics.

Sci Rep 2020 03 27;10(1):5582. Epub 2020 Mar 27.

Woods Hole Oceanographic Institution, Woods Hole, MA, 02543, USA.

The sinking of organic particles produced in the upper sunlit layers of the ocean forms an important limb of the oceanic biological pump, which impacts the sequestration of carbon and resupply of nutrients in the mesopelagic ocean. Particles raining out from the upper ocean undergo remineralization by bacteria colonized on their surface and interior, leading to an attenuation in the sinking flux of organic matter with depth. Here, we formulate a mechanistic model for the depth-dependent, sinking, particulate mass flux constituted by a range of sinking, remineralizing particles. Read More

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Spectroscopies and Electron Microscopies Unravel the Origin of the First Colour Photographs.

Angew Chem Int Ed Engl 2020 06 30;59(23):9113-9119. Epub 2020 Mar 30.

Centre de Recherche sur la Conservation (CRC), Muséum national d'Histoire naturelle, CNRS, Ministère de la Culture, 36 rue Geoffroy Saint Hilaire, 75005, Paris, France.

The first colour photographs were created by a process introduced by Edmond Becquerel in 1848. The nature of these photochromatic images colours motivated a debate between scientists during the XIX century, which is still not settled. We present the results of chemical analysis (EDX, HAXPES and EXAFS) and morphology studies (SEM, STEM) aiming at explaining the optical properties of the photochromatic images (UV-visible spectroscopy and low loss EELS). Read More

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DoE directed optimization, development and evaluation of resveratrol loaded ultradeformable vesicular cream for topical antioxidant benefits.

Drug Dev Ind Pharm 2020 Feb 27;46(2):227-235. Epub 2020 Jan 27.

Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, India.

Aim of the present work was to optimize and formulate resveratrol loaded vesicular cream intended for dermal delivery of resveratrol with high skin deposition potential. Formulation was developed and optimized using Central Composite Design. Amount of phospholipid and sodium cholate were selected as critical material attributes and vesicle size and entrapment efficiency of resveratrol were taken as critical quality attributes. Read More

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February 2020

Ethics of socially assistive robots in aged-care settings: a socio-historical contextualisation.

J Med Ethics 2020 02 9;46(2):128-136. Epub 2019 Dec 9.

Centre for Biomedical Ethics and Law, Department of Public Health and Primary Care, KU Leuven, Leuven, Flemisch Brabant, Belgium.

Different embodiments of technology permeate all layers of public and private domains in society. In the public domain of aged care, attention is increasingly focused on the use of socially assistive robots (SARs) supporting caregivers and older adults to guarantee that older adults receive care. The introduction of SARs in aged-care contexts is joint by intensive empirical and philosophical research. Read More

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February 2020

Characterization of phospholipid vesicles containing lauric acid: physicochemical basis for process and product development.

Heliyon 2019 Oct 1;5(10):e02648. Epub 2019 Nov 1.

Department of Biochemistry, Institute of Chemistry, University of São Paulo, São Paulo, Brazil.

Lauric acid (LAH) strongly inhibits the growth of acne-causing bacteria. LAH is essentially water-insoluble and the solubility of laurate (LA) salts are medium and temperature dependent. Hence, LAH/LA preparations are difficult to formulate. Read More

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October 2019