25,780 results match your criteria aided design

Designing a Red-Emitting Viscosity Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging.

Chemistry 2021 Sep 22. Epub 2021 Sep 22.

Fiziniu ir technologijos mokslu centras, Molecular Compound Physics, Sauletekio av. 3, LT-10257, Vilnius, LITHUANIA.

Viscosity imaging at a microscopic scale can provide important information about biosystems, including the development of serious illnesses. Microviscosity imaging is achievable with viscosity-sensitive fluorophores, the most popular of which are based on the BODIPY group. However, most of the BODIPY probes fluoresce green light, whereas the red luminescence is desired for the imaging of biological samples. Read More

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September 2021

Discovery and evaluation of entry inhibitors for SARS-CoV-2 and its emerging variants.

J Virol 2021 Sep 22:JVI0143721. Epub 2021 Sep 22.

Department of Pharmacology and Experimental Neuroscience, University of Nebraska Medical Center, Omaha, NE 68131, USA.

The outbreak of SARS-CoV-2 is responsible for the COVID-19 pandemic. Despite unprecedented research and developmental efforts, SARS-CoV-2-specific antivirals are still unavailable for the treatment of COVID-19. In most instances, SARS-CoV-2 infection initiates with the binding of spike glycoprotein to the host cell ACE2 receptor. Read More

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September 2021

Virtual Surgical Planning for Oncologic Mandibular and Maxillary Reconstruction.

Plast Reconstr Surg Glob Open 2021 Sep 17;9(9):e3672. Epub 2021 Sep 17.

Memorial Sloan Kettering Cancer Center, New York, N.Y.

Virtual surgical planning (VSP) with computer-aided design and computer-aided modeling (CAD/CAM) enables the opportunity to provide personalized medicine in complex head and neck reconstruction. This innovative technology allows ablative and reconstructive surgeons to virtually create and manipulate three-dimensional anatomic models to plan both the resection and reconstruction of complicated maxillofacial defects. Studies demonstrate improvements in preoperative planning, operative efficiency and accuracy, and postoperative outcomes. Read More

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September 2021

Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design.

J Chem Inf Model 2021 Sep 21. Epub 2021 Sep 21.

Maj Institute of Pharmacology Polish Academy of Sciences, Smetna 12 Street, 31-343, Cracow, Poland.

Structural fingerprints and pharmacophore modeling are methodologies that have been used for at least 2 decades in various fields of cheminformatics, from similarity searching to machine learning (ML). Advances in techniques consequently led to combining both these methodologies into a new approach known as the pharmacophore fingerprint. Herein, we propose a high-resolution, pharmacophore fingerprint called Pharmacoprint that encodes the presence, types, and relationships between pharmacophore features of a molecule. Read More

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September 2021

Bioconversion of Methanol by Synthetic Methylotrophy.

Adv Biochem Eng Biotechnol 2021 Sep 21. Epub 2021 Sep 21.

State Key Laboratory of Materials-Oriented Chemical Engineering, College of Biotechnology and Pharmaceutical Engineering, Nanjing Tech University, Nanjing, People's Republic of China.

As an important building block in the chemical industry, methanol has become an attractive substrate in biorefinery owing to its abundance and low cost. With the development of synthetic biology, metabolic engineering of non-methylotrophy to construct synthetic methylotrophy has drawn increased attention. As for the metabolic construction of methanol assimilation pathway in some industrial hosts, several artificial methanol assimilation pathways have recently been designed and constructed based on the computer-aided design. Read More

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September 2021

Simulation studies on electrical characteristics of silicon nanowire feedback field-effect transistors with interface trap charges.

Sci Rep 2021 Sep 20;11(1):18650. Epub 2021 Sep 20.

Department of Semiconductor Systems Engineering, Korea University, Seoul, Republic of Korea.

In this study, we examine the electrical characteristics of silicon nanowire feedback field-effect transistors (FBFETs) with interface trap charges between the channel and gate oxide. The band diagram, I-V characteristics, memory window, and operation were analyzed using a commercial technology computer-aided design simulation. In an n-channel FBFET, the memory window narrows (widens) from 5. Read More

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September 2021

Recent Neglected Drug Design Studies.

Curr Top Med Chem 2021 Sep 20. Epub 2021 Sep 20.

Lauro Wanderley University Hospital (HULW), Health Sciences Center, Federal University of Paraíba, João Pessoa-PB. Brazil.

Background: Neglected diseases require special attention when looking for new therapeutic alternatives, as these are diseases of extreme complexity and severity that affect populations belonging to lower social classes who are lacking access to basic rights such as basic sanitation.

Introduction: Among the alternatives available for obtaining new drugs is Medicinal Chemistry, which is responsible for the discovery, identification, invention and preparation of prototypes. In this perspective, the present work aims to make a bibliographic review on the recent studies of Medicinal Chemistry applied to neglected diseases. Read More

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September 2021

Influence of the resin-coating technique on the bonding performance of self-adhesive resin cements in single-visit computer-aided design/computer-aided manufacturing resin restorations.

J Esthet Restor Dent 2021 Sep 20. Epub 2021 Sep 20.

Department of Cariology and Operative Dentistry, Graduate School of Medical and Dental Sciences, Tokyo Medical and Dental University (TMDU), Tokyo, Japan.

Objective: This in vitro study investigated the influence of resin coating on the bonding performance of self-adhesive resin cements in single-visit computer-aided design (CAD)/computer-aided manufacturing (CAM) resin restorations.

Materials And Method: CAD/CAM resin (1.5-mm thick) was mounted on 20 noncoated and 20 resin-coated human dentin surfaces using dual-cured self-adhesive resin cements (Panavia SA Cement Plus or Panavia SA Cement Universal, Kuraray Noritake Dental) in either self-curing or dual-curing mode. Read More

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September 2021

Effect of training on time efficiency and marginal adaptation of computer-aided design/computer-aided manufacturing crowns among dental students.

Eur J Dent Educ 2021 Sep 19. Epub 2021 Sep 19.

Department of Restorative Dentistry, Faculty of Dentistry, Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia.

Introduction: The computer-aided design/computer-aided manufacturing (CAD/CAM) technology has revolutionised dentistry at present. An operator's skills can affect the overall clinical duration and marginal accuracy of the prosthesis fabricated through this workflow. The aim of this study was to assess the effect of CAD/CAM hands-on training compared with that of a self-instructional video on the performance of dental students in digital impression and fabrication of a CAD/CAM crown. Read More

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September 2021

Benefit of Higher Maximum Force Output in Bone Anchored Hearing Systems: A Crossover Study.

Otol Neurotol 2021 Sep 17. Epub 2021 Sep 17.

Region Västra Götaland, Habilitation & Health, Hearing Organization, Gothenburg, Sweden Oticon Medical AB, Askim, Sweden Unit of Audiology, Department of Health and Rehabilitation, Institute of Neuroscience and Physiology, Sahlgrenska Academy, University of Gothenburg, Gothenburg, Sweden.

Objective: To investigate how higher maximum force output (MFO) in bone anchored hearing systems (BAHS) affects perceived benefit and the subjective experience of sound as well as hearing outcomes in subjects with mixed hearing loss.

Study Design: Prospective single-center, randomized crossover design (A-B-A) with within-subject control design.

Patients: The study included 19 experienced BAHS users with mixed hearing loss in the fitting range of a standard BAHS. Read More

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September 2021

Opportunities for overcoming tuberculosis: emerging targets and their inhibitors.

Drug Discov Today 2021 Sep 16. Epub 2021 Sep 16.

Innovation Institute for Artificial Intelligence in Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China; State Key Lab of Computer-aided Design and Computer Graphics (CAD&CG), Zhejiang University, Hangzhou, Zhejiang 310058, China. Electronic address:

Tuberculosis (TB), an airborne infectious disease mainly caused by Mycobacterium tuberculosis (Mtb), remains a leading cause of human morbidity and mortality worldwide. Given the alarming rise of resistance to anti-TB drugs and latent TB infection (LTBI), new targets and novel bioactive compounds are urgently needed for the treatment of this disease. We provide an overview of the recent advances in anti-TB drug discovery, emphasizing several newly validated targets for which an inhibitor has been reported in the past five years. Read More

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September 2021

Design, synthesis and bioactivity evaluation of thiazolidinedione derivatives as partial agonists targeting PPARγ.

Bioorg Chem 2021 Sep 11;116:105342. Epub 2021 Sep 11.

The Joint Research Center of Guangzhou University and Keele Univeristy for Gene Interference and Application, School of Life Science, Guangzhou University, Guangzhou 510006, People's Republic of China.

Thiazolidinedione (TZD) is a novel peroxides proliferator activated receptor γ (PPARγ) agonist with many side effects. Herein, we developed a series of novel TZD analogues as partial agonists targeting PPARγ. The study of anti-hyperglycemic activity and anti-inflammatory activity enabled us to identify a novel compound, 4 g, which quickly recover the blood glucose of mice at the concentration of 100 mg/kg, and show similar anti-inflammatory activity to ibuprofen at the concentration of 20 mg/kg. Read More

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September 2021

The rise of deep learning and transformations in bioactivity prediction power of molecular modeling tools.

Chem Biol Drug Des 2021 Sep 16. Epub 2021 Sep 16.

Toxicology and Diseases Group, Pharmaceutical Sciences Research Center (PSRC), The Institute of Pharmaceutical Sciences (TIPS), Tehran University of Medical Sciences, Tehran, Iran.

The search and design for the better use of bioactive compounds are used in many experiments to best mimic compounds' functions in the human body. However, finding a cost-effective and timesaving approach is a top priority in different disciplines. Nowadays, artificial intelligence (AI) and particularly deep learning (DL) methods are widely applied to improve the precision and accuracy of models used in the drug discovery process. Read More

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September 2021

Experiment Selection in Meta-Analytic Piecemeal Causal Discovery.

IEEE Access 2021 1;9:97929-97941. Epub 2021 Jul 1.

Departments of Radiological Sciences, Bioinformatics, and Bioengineering, University of California at Los Angeles (UCLA), Los Angeles, CA 90095, USA.

Scientists try to design experiments that will yield maximal information. For instance, given the available evidence and a limitation on the number of variables that can be observed simultaneously, it may be more informative to intervene on variable and observe the response of variable than to intervene on and observe ; in other situations, the opposite may be true. Scientists must often make these decisions without primary data. Read More

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Effects of Patent Ductus Arteriosus on the Hemodynamics of Modified Blalock-Taussig Shunt Based on Patient-Specific Simulation.

Front Physiol 2021 31;12:707128. Epub 2021 Aug 31.

Department of Cardiothoracic Surgery, Shanghai Children's Medical Center, School of Medicine, Shanghai Jiao Tong University, Shanghai, China.

The question of preserving the patent ductus arteriosus (PDA) during the modified Blalock-Taussig shunt (MBTS) procedure remains controversial. The goal of this study was to investigate the effects of the PDA on the flow features of the MBTS to help with preoperative surgery design and postoperative prediction. In this study, a patient with pulmonary atresia and PDA was included. Read More

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Comparing lung ultrasound: extensive versus short in COVID-19 (CLUES): a multicentre, observational study at the emergency department.

BMJ Open 2021 09 16;11(9):e048795. Epub 2021 Sep 16.

Department of Internal Medicine, Radboudumc, Nijmegen, The Netherlands.

Background: Bedside lung ultrasound (LUS) is an affordable diagnostic tool that could contribute to identifying COVID-19 pneumonia. Different LUS protocols are currently used at the emergency department (ED) and there is a need to know their diagnostic accuracy.

Design: A multicentre, prospective, observational study, to compare the diagnostic accuracy of three commonly used LUS protocols in identifying COVID-19 pneumonia at the ED. Read More

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September 2021

Characterization of occlusal splint materials: CAD-CAM versus conventional resins.

J Mech Behav Biomed Mater 2021 Sep 7;124:104813. Epub 2021 Sep 7.

Turku Clinical Biomaterials Centre-TCBC, Institute of Dentistry, University of Turku, Turku, Finland.

Aim: The aim of this in vitro study was to assess the mechanical properties of five commercially available subtractive computer-aided design and computer-aided manufacturing (CAD-CAM) milled splint materials, as well as to compare them with conventional heat-polymerized and autopolymerizing resins used in the construction of conventional splints.

Material And Methods: Five CAD-CAM milled (ProArt CAD Splint, Therapon Transpa, Temp Premium Flexible Transpa, Cast, and Aqua), one autopolymerizing (Palapress), and one heat-polymerized (Paladon 65) resin materials were evaluated. Flexural strength, E-modulus, Vickers hardness, fracture toughness, fracture work, water sorption, and water solubility were measured. Read More

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September 2021

Assess A Smartphone App (AICaries) that uses artificial intelligence to detect dental caries in children and provide interactive oral health education: Protocol for design and usability testing.

JMIR Res Protoc 2021 Sep 14. Epub 2021 Sep 14.

Department of Family Medicine, University of Rochester Medical Center, Rochester, US.

Background: Early childhood caries (ECC) is the most common chronic childhood disease, with nearly 1.8 billion new cases per year globally. ECC afflicts approximately 55% of low-income and minority US preschool children, resulting in harmful short- and long-term effects on health and quality of life. Read More

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September 2021

Hearing Outcomes with Percutaneous and Transcutaneous BAHA® Technology in Conductive and Mixed Hearing Loss.

Otol Neurotol 2021 Oct;42(9):1382-1389

The Ear and Hearing Center, A.R.M.-Advanced Otolaryngology Head and Neck and Maxillofacial Surgery, Assuta Medical Center, Tel Aviv, Israel.

Objectives: To evaluate outcomes of BAHA Connect® and BAHA Attract® implantations, and to examine the prognostic utility of a preimplantation Softband®-attached processor trial.

Study Design: Retrospective case review.

Setting: Tertiary referral center. Read More

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October 2021

Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties.

Future Med Chem 2021 Oct 16;13(19):1639-1654. Epub 2021 Sep 16.

Janssen Research & Development, Discovery Chemistry, Discovery Sciences, Spring House, PA 19477, USA.

Accurate prediction of absorption, distribution, metabolism and excretion (ADME) properties can facilitate the identification of promising drug candidates. The authors present the Janssen generic Target Product Profile (gTPP) model, which predicts 18 early ADME properties, employs a graph convolutional neural network algorithm and was trained on between 1000-10,000 internal data points per predicted parameter. gTPP demonstrated stronger predictive power than pretrained commercial ADME models and automatic model builders. Read More

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October 2021

Uncertainty quantification in dimensions dataset of additive manufactured NIST standard test artifact.

Data Brief 2021 Oct 14;38:107286. Epub 2021 Aug 14.

Department of Mechanical and Aerospace Engineering, New York University Tandon School of Engineering, 6 Metrotech Center, Brooklyn, NY 11201, United States.

The printed features on an additive manufactured part will often deviate from the nominal values of the 3D model's features due to the factors such as printer resolution, printing parameters, printing technology, and the measurement method. The National Institute of Standards and Technology (NIST) standard test artifact contains a collection of various features that can be used to characterize a 3D printer's performance and has been used to benchmark metal printers. There is limited documentation on how well different additive manufacturing processes can fabricate the NIST artifact. Read More

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October 2021

Application of Patient-Specific Implants as Alternative Approach to Zygoma Defect Management - A Retrospective Study.

Ann Maxillofac Surg 2021 Jan-Jun;11(1):91-96. Epub 2021 Jul 24.

Department of Stomatology, Bogomolets National Medical University, Kyiv, Ukraine.

Introduction: Zygoma defects are a challenging clinical problem and are frequently connected with the alteration of facial harmony, horizontal asymmetry of the face, and significant functional deficit. The application of patient-specific implants (PSIs) has the potential to improve the effectiveness of zygoma defect management. The aim of this study was to evaluate the anatomic, esthetic, and functional outcomes of PSI application for zygoma reconstruction. Read More

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Comparison of the residual cement on custom computer-aided design and computer-aided manufacturing titanium and zirconia abutments: A preliminary cohort study.

J Prosthet Dent 2021 Sep 11. Epub 2021 Sep 11.

Attending Doctor, Department of Prosthodontics, Chang Gung Memorial Hospital, Linkou Branch, Taoyuan City, Taiwan, ROC. Electronic address:

Statement Of Problem: Clinical studies comparing the occurrence and quality of residual cement between custom zirconia and custom titanium abutments with subgingival margins are scarce.

Purpose: The purpose of this clinical study was to assess the difference in the amount of residual cement between custom zirconia and titanium abutments with a 1-mm subgingival margin.

Material And Methods: Eighty participants were randomized to receive either a custom zirconia abutment with a bonded titanium insert or a custom titanium abutment with a 1-mm subgingival margin on a posterior bone-level implant. Read More

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September 2021

In silico methods and tools for drug discovery.

Comput Biol Med 2021 Sep 8;137:104851. Epub 2021 Sep 8.

Department of Biomedical Engineering, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul, 06974, Republic of Korea. Electronic address:

In the past, conventional drug discovery strategies have been successfully employed to develop new drugs, but the process from lead identification to clinical trials takes more than 12 years and costs approximately $1.8 billion USD on average. Recently, in silico approaches have been attracting considerable interest because of their potential to accelerate drug discovery in terms of time, labor, and costs. Read More

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September 2021

Integration of imaging modalities in digital dental workflows - possibilities, limitations, and potential future developments.

Dentomaxillofac Radiol 2021 Oct 14;50(7):20210268. Epub 2021 Sep 14.

Department of Imaging & Pathology, Faculty of Medicine, KU Leuven & Oral and Maxillofacial Surgery, University Hospitals Leuven, Leuven, Belgium.

The digital workflow process follows different steps for all dental specialties. However, the main ingredient for the diagnosis, treatment planning and follow-up workflow recipes is the imaging chain. The steps in the imaging chain usually include all or at least some of the following modalities: cone-beam computed tomographic data acquisition, segmentation of the cone-beam computed tomography image, intraoral scanning, facial three-dimensional soft tissue capture and superimposition of all the images for the creation of a virtual augmented model. Read More

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October 2021

Does vaporized hydrogen peroxide sterilization affect the geometrical properties of anatomic models and guides 3D printed from computed tomography images?

3D Print Med 2021 Sep 14;7(1):29. Epub 2021 Sep 14.

TECHFIT Digital Surgery, Industrias Médicas Sampedro, Carrera 47 N° 100 Sur 40 Centro Industrial Portal del Sur, Bodega 14, variante a Caldas, La Estrella (Medellin), Colombia.

Background: Material extrusion is used to 3D print anatomic models and guides. Sterilization is required if a 3D printed part touches the patient during an intervention. Vaporized Hydrogen Peroxide (VHP) is one method of sterilization. Read More

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September 2021

A review of resource management and self-reliance for sustainable development of India under COVID-19 scenario.

J Public Aff 2021 Jul 18:e2725. Epub 2021 Jul 18.

Department of Geography & Director, UGC-HRDC University of Calcutta Kolkata India.

The rapid spread of COVID-19 pandemic has caused a severe disorder in the global economy. The sudden imposition of lockdown is expected to largely impact the global as well as Indian economy. To overcome serious economic fallouts, the honorable Prime Minister of India, Sri Narendra Modi in his address to the nation called for "Atmanirbhar Bharat Abhiyan" or "Self-reliant India" as self-reliance would help in making pragmatic developments of the economy. Read More

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Reconstruction of bilateral ramus-condyle unit defect using custom titanium prosthesis with preservation of both condyles.

J Mech Behav Biomed Mater 2021 Aug 19;124:104765. Epub 2021 Aug 19.

Department of Tissue Engineering and Applied Cell Sciences, School of Advanced Technologies in Medicine, Shahid Beheshti University of Medical Sciences, Tehran, Iran; Department of Oral and Maxillofacial Surgery, Dental Research Center, Research Institute of Dental Sciences, Shahid Beheshti University of Medical Sciences, Tehran, Iran; Guest Professor, Faculty of Health and Medicine, University of Antwerp, Antwerp, Belgium. Electronic address:

Background: Novel technologies for management and reconstruction of complex bony defects regarding both function and facial appearance are interestingly used in maxillofacial surgery. In the current study, we demonstrated reconstruction of a bilateral ramus-condyle unit (RCU) defect while preserving both condyles by a novel designed titanium prosthesis using virtual surgical planning (VSP), computer-aided design and manufacturing (CAD/CAM), and Selective Laser Melting (SLM) technologies.

Materials And Methods: A 3D customized titanium prosthesis was designed for a 49 -year-old patient with bilateral mandibular aggressive central giant cell granuloma (CGCG) according to mandibular normal anatomy and structure while preserving bilateral intact condyles. Read More

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Early preclinical evaluation of a novel, computer aided designed, 3D printed, bioresorbable posterior cricoid scaffold.

Int J Pediatr Otorhinolaryngol 2021 Sep 3;150:110892. Epub 2021 Sep 3.

Department of Otolaryngology - Head and Neck Surgery, University of Michigan, Ann Arbor, MI, USA; Department of Biomedical Engineering, University of Michigan, Ann Arbor, MI, USA. Electronic address:

Objectives: The posterior cricoid split with rib graft is a procedure that elegantly corrects pediatric posterior glottic stenosis and subglottic stenosis. Currently, the procedure requires harvesting of rib cartilage which leaves room for optimization. With use of three dimensional printing technology, our objective was to design a device that would negate the need for costal cartilage harvesting in this procedure. Read More

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September 2021

Mining of a novel esterase (est3S) gene from a cow rumen metagenomic library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations.

Int J Biol Macromol 2021 Sep 7;190:441-455. Epub 2021 Sep 7.

Department of Food Science, Gyeongsang National University, Jinju 52725, Republic of Korea. Electronic address:

A novel esterase (est3S) gene, 1026 bp in size, was cloned from a metagenomic library made of uncultured microorganisms from the contents of cow rumen. The esterolytic enzyme (Est3S) is composed of 342 amino acids and shows the highest identity with EstGK1 (71.7%) and EstZ3 (63. Read More

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September 2021