3,069 results match your criteria chemical language


Transporters and transcription factors gene families involved in improving nitrogen use efficiency (NUE) and assimilation in rice (Oryza sativa L.).

Transgenic Res 2021 Sep 15. Epub 2021 Sep 15.

School of Life Sciences, University of Science and Technology of China (USTC), Hefei, 230027, Anhui, China.

Nitrogen (N) as a macronutrient is an important determinant of plant growth. The excessive usage of chemical fertilizers is increasing environmental pollution; hence, the improvement of crop's nitrogen use efficiency (NUE) is imperative for sustainable agriculture. N uptake, transportation, assimilation, and remobilization are four important determinants of plant NUE. Read More

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September 2021

Research on damage progression of drill string material based on the extended finite element method.

Sci Prog 2021 Jul-Sep;104(3):368504211042258

School of Mechanical Engineering, 74601Sichuan University of Science and Engineering, Zigong, China.

In this paper, the process of crack propagation is investigated using the extended finite element method at the mesoscale to study the drill pipe fracture mechanism. Firstly, the property of the S135 drill pipe was analyzed through physical and chemical experiments and the scanning electron microscope method. After that, a grain distribution model of the drill pipe material at the mesoscale was established by the Python scripting language on ABAQUS platform. Read More

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September 2021

Writing sequence identification of seals and signatures in documents using ambient mass spectrometry imaging with chemometric methods.

Talanta 2021 Dec 18;235:122804. Epub 2021 Aug 18.

State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, 100050, PR China; Center for Imaging & Systems Biology, Minzu University of China, Beijing, 100081, PR China. Electronic address:

Identifying the writing sequence of seals and signatures in documents is often performed and difficult to resolve in forensic determination. Morphological and physical-chemical analysis methods are often limited by the destructive nature of samples, a high signal response strength and specific materials. Mass spectrometry imaging (MSI) has been used as an alternative method because it can generate molecular images from many surfaces and produce rich chemical information. Read More

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December 2021

Sensitive electrochemical biosensor for Uracil-DNA glycosylase detection based on self-linkable hollow Mn/Ni layered doubled hydroxides as oxidase-like nanozyme for cascade signal amplification.

Biosens Bioelectron 2021 Sep 1;194:113607. Epub 2021 Sep 1.

School of Chemistry and Chemical Engineering, Shandong University, Jinan, Shandong, 250100, China. Electronic address:

Nanozymes have been widely used in biosensors instead of natural enzymes because of low cost, high stability and ease of storage. However, few works use oxidase-like nanozymes to fabricate electrochemical biosensors. Herein, we proposed a sensitive electrochemical biosensor to detect uracil-DNA glycosylase (UDG) based on the hollow Mn/Ni layered doubled hydroxides (h-Mn/Ni LDHs) as oxidase-like nanozyme. Read More

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September 2021

Pathologic tau conformer ensembles induce dynamic, liquid-liquid phase separation events at the nuclear envelope.

BMC Biol 2021 Sep 9;19(1):199. Epub 2021 Sep 9.

Centre for Prions and Protein Folding Diseases, University of Alberta, 204 Brain and Aging Research Building, Edmonton, AB, T6G 2 M8, Canada.

Background: The microtubule-associated protein tau forms aggregates in different neurodegenerative diseases called tauopathies. Prior work has shown that a single P301L mutation in tau gene, MAPT, can promote alternative tau folding pathways that correlate with divergent clinical diagnoses. Using progressive chemical denaturation, some tau preparations from the brain featured complex transitions starting at low concentrations of guanidine hydrochloride (GdnHCl) denaturant, indicating an ensemble of differently folded tau species called conformers. Read More

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September 2021

Using DNA to predict behaviour problems from preschool to adulthood.

J Child Psychol Psychiatry 2021 Sep 6. Epub 2021 Sep 6.

Social, Genetic & Developmental Psychiatry Centre, Institute of Psychiatry, Psychology & Neuroscience, King's College London, London, UK.

Background: One goal of the DNA revolution is to predict problems in order to prevent them. We tested here if the prediction of behaviour problems from genome-wide polygenic scores (GPS) can be improved by creating composites across ages and across raters and by using a multi-GPS approach that includes GPS for adult psychiatric disorders as well as for childhood behaviour problems.

Method: Our sample included 3,065 genotyped unrelated individuals from the Twins Early Development Study who were assessed longitudinally for hyperactivity, conduct, emotional problems, and peer problems as rated by parents, teachers, and children themselves. Read More

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September 2021

Enhancing Biomedical Relation Extraction with Transformer Models using Shortest Dependency Path Features and Triplet Information.

J Biomed Inform 2021 Sep 2;122:103893. Epub 2021 Sep 2.

Istituto Dalle Molle di Studi sull'Intelligenza Artificiale USI/SUPSI, Lugano, Switzerland; Department of Quantitative Biomedicine, University of Zurich, Zurich, Switzerland; Swiss Institute of Bioinformatics, Lausanne, Switzerland. Electronic address:

Entity relation extraction plays an important role in the biomedical, healthcare, and clinical research areas. Recently, pre-trained models based on transformer architectures and their variants have shown remarkable performances in various natural language processing tasks. Most of these variants were based on slight modifications in the architectural components, representation schemes and augmenting data using distant supervision methods. Read More

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September 2021

Cost-effectiveness of a Community-based Hypertension Improvement Project (ComHIP) in Ghana: results from a modelling study.

BMJ Open 2021 09 2;11(9):e039594. Epub 2021 Sep 2.

Department of Global Health and Development, Faculty of Public Health and Policy, London School of Hygiene & Tropical Medicine, London, UK.

Objective: To undertake a cost-effectiveness analysis of a Community-based Hypertension Improvement Project (ComHIP) compared with standard hypertension care in Ghana.

Design: Cost-effectiveness analysis using a Markov model.

Setting: Lower Manya Krobo, Eastern Region, Ghana. Read More

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September 2021

The Interdependency and Co-Regulation of the Vitamin D and Cholesterol Metabolism.

Cells 2021 Aug 6;10(8). Epub 2021 Aug 6.

Northern Ireland Centre for Stratified Medicine, C-TRIC, Altnagelvin Hospital Campus, School of Biomedical Sciences, Ulster University, Derry BT47 6SB, UK.

Vitamin D and cholesterol metabolism overlap significantly in the pathways that contribute to their biosynthesis. However, our understanding of their independent and co-regulation is limited. Cardiovascular disease is the leading cause of death globally and atherosclerosis, the pathology associated with elevated cholesterol, is the leading cause of cardiovascular disease. Read More

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Cracking the code: a comparative approach to plant communication.

Commun Integr Biol 2021 17;14(1):176-185. Epub 2021 Aug 17.

Dipartimento di Psicologia Generale, Università Degli Studi di Padova, Padova, Italy.

The linguistic behavior of humans is usually considered the point of reference for studying the origin and evolution of language. As commonly defined, language is a form of communication between human beings; many have argued that it is unique to humans as there is no apparent equivalent for it in non-human organisms. How language is used as a means of communication is examined in this essay from a biological perspective positing that it is effectively and meaningfully used by non-human organisms and, more specifically, by plants. Read More

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Solving 0-1 Integer Programming Problem Based on DNA Strand Displacement Reaction Network.

ACS Synth Biol 2021 Sep 25;10(9):2318-2330. Epub 2021 Aug 25.

School of Mathematics and Big Data, Anhui University of Science & Technology, Huainan, Anhui 232001, China.

Chemical reaction networks (CRNs) based on DNA strand displacement (DSD) can be used as an effective programming language for solving various mathematical problems. In this paper, we design three chemical reaction modules by using the DNA strand displacement reaction as the basic principle, with a weighted reaction module, sum reaction module, and threshold reaction module. These modules are used as basic elements to form chemical reaction networks that can be used to solve 0-1 integer programming problems. Read More

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September 2021

Effect of phosphodiesterase-type 5 inhibitors on erectile function: an overview of systematic reviews and meta-analyses.

BMJ Open 2021 08 24;11(8):e047396. Epub 2021 Aug 24.

Institute for the Study of Urological Diseases, Thessaloniki, Greece.

Introduction: Phosphodiesterase-type 5 inhibitors (PDE5i) are the recommended first-line treatment for erectile dysfunction. Previous systematic reviews and meta-analyses suggest that they are a safe and effective option in many patient groups. Similarly, PDE5i may be effective as part of combination therapy in non-responders to PDE5i. Read More

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Resolving the Rules of Robustness and Resilience in Biology Across Scales.

Integr Comp Biol 2021 Aug 24. Epub 2021 Aug 24.

Woods Hole Oceanographic Institution.

Why do some biological systems and communities persist while others fail? Robustness, a system's stability, and resilience, the ability to return to a stable state, are key concepts that span multiple disciplines within and outside the biological sciences. Discovering and applying common rules that govern the robustness and resilience of biological systems is a critical step toward creating solutions for species survival in the face of climate change, as well as the for the ever-increasing need for food, health, and energy for human populations. We propose that network theory provides a framework for universal scalable mathematical models to describe robustness and resilience and the relationship between them, and hypothesize that resilience at lower organization levels contribute to robust systems. Read More

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Development and Usability Study of an Open-Access Interviewer-Administered Automated 24-h Dietary Recall Tool in Argentina: MAR24.

Front Nutr 2021 5;8:642387. Epub 2021 Aug 5.

School of Medicine and Health Sciences, Center for Health Sciences Research, Universidad Adventista del Plata, Libertador San Martín, Entre Ríos, Argentina.

Latin American countries show a fast-growing rate of non-communicable diseases (NCDs) and diet is a critical risk factor that must be properly assessed. Automated dietary assessment tools to collect 24-h dietary recalls (24HR) are lacking in Argentina. This study aimed to develop an open-access automated tool (MAR24) for collecting 24HR using a multiple pass method and a database containing foods and recipes commonly consumed in Argentina. Read More

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Bibliometric analysis and recent trends on MXene research - A comprehensive review.

Chemosphere 2021 Aug 12;286(Pt 3):131873. Epub 2021 Aug 12.

Chemical Engineering Section, Faculty of Engineering, Sohar University, Sohar, Oman. Electronic address:

MXene, identified as a high performance material with superior properties, has gained significant importance in the field of applications including energy storage, photo catalysis, sensing of components and environmental pollution control. This review article is a comprehensive study on scientometric review on the research studies involving MXene and its derivatives for various applications. The aim of this study is to identify the areas of priority focused during the study period (2012-2020) and evaluate the impact of the studies in terms of different parameters. Read More

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COVID-19 sentiment analysis via deep learning during the rise of novel cases.

PLoS One 2021 19;16(8):e0255615. Epub 2021 Aug 19.

Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati, Assam, India.

Social scientists and psychologists take interest in understanding how people express emotions and sentiments when dealing with catastrophic events such as natural disasters, political unrest, and terrorism. The COVID-19 pandemic is a catastrophic event that has raised a number of psychological issues such as depression given abrupt social changes and lack of employment. Advancements of deep learning-based language models have been promising for sentiment analysis with data from social networks such as Twitter. Read More

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Research on the evolution and driving forces of the manufacturing industry during the "13th five-year plan" period in Jiangsu province of China based on natural language processing.

PLoS One 2021 18;16(8):e0256162. Epub 2021 Aug 18.

Institute of Industrial Economics of CASS, Beijing, China.

The development of China's manufacturing industry has received global attention. However, research on the distribution pattern, changes, and driving forces of the manufacturing industry has been limited by the accessibility of data. This study proposes a method for classifying based on natural language processing. Read More

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Monitoring the manufacturing and quality of medicines: a fundamental task of pharmacovigilance.

Ther Adv Drug Saf 2021 5;12:20420986211038436. Epub 2021 Aug 5.

Uppsala Monitoring Centre, Uppsala, Sweden.

The collection and assessment of individual case safety reports (ICSRs) is important to detect unknown adverse drug reactions particularly in the first decade after approval of new chemical entities. However, regulations require that these activities are routinely undertaken for all medicinal products, including older medicines such as generic medicinal products with a well-established safety profile. For the latter, the risk management plans no longer contain important risks, considered important safety concerns, on the basis that routine pharmacovigilance activity would not allow their further characterisation. Read More

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Porous polymers from octa(amino-phenyl)silsesquioxane and metalloporphyrin as peroxidase-mimicking enzyme for malathion colorimetric sensor.

Colloids Surf B Biointerfaces 2021 Jul 26;207:112010. Epub 2021 Jul 26.

School of Chemistry and Chemical Engineering, Shandong University, Jinan, Shandong Province, 250100, China. Electronic address:

Rapid and efficient pesticide detection methods are particularly important due to the growing problems of pesticide residues. Here, a new azo-based porous organic polymer, Azo(Fe)PPOP, was prepared from octa(amino-phenyl)silsesquioxane (OAPS) and iron(III) 5,10,15,20-tetrakis(4-nitrophenyl)porphyrin (FeTPP(NO)) via a simple coupling reaction without the participation of metal catalysts. The inorganic cage units of OAPS endowed Azo(Fe)PPOP a porous framework, high surface area, favorably thermal and chemical stability. Read More

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An automated approach to identify scientific publications reporting pharmacokinetic parameters.

Wellcome Open Res 2021 21;6:88. Epub 2021 Apr 21.

Great Ormond Street Institute of Child Health, University College London, London, UK.

Pharmacokinetic (PK) predictions of new chemical entities are aided by prior knowledge from other compounds. The development of robust algorithms that improve preclinical and clinical phases of drug development remains constrained by the need to search, curate and standardise PK information across the constantly-growing scientific literature. The lack of centralised, up-to-date and comprehensive repositories of PK data represents a significant limitation in the drug development pipeline. Read More

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TSNet: predicting transition state structures with tensor field networks and transfer learning.

Chem Sci 2021 Jul 23;12(29):10022-10040. Epub 2021 Jun 23.

Department of Chemistry, University of Prince Edward Island Canada

Transition states are among the most important molecular structures in chemistry, critical to a variety of fields such as reaction kinetics, catalyst design, and the study of protein function. However, transition states are very unstable, typically only existing on the order of femtoseconds. The transient nature of these structures makes them incredibly difficult to study, thus chemists often turn to simulation. Read More

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Fansidar drug induces cytotoxicity in some vital tissues in a rat model: combination defensive effect of selenium and zinc capsules.

Ther Adv Drug Saf 2021 15;12:20420986211027101. Epub 2021 Jul 15.

Department of Chemical Sciences, Biochemistry unit, College of Natural and Applied Sciences, Bells University of Technology, Ota, Ogun State, Nigeria.

Aim: Fansidar (FAN) is widely used as an antimalarial drug, but it may cause hepatoxicity, nephrotoxicity, and neurotoxicity. Hence, the study examines the cytoprotection of selenium (Se) and zinc (Zn) tablets against FAN induced toxicity.

Method: Group I was given distilled water. Read More

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Catalysis Gene Expression Profiling: Sequencing and Designing Catalysts.

J Phys Chem Lett 2021 Aug 30;12(30):7335-7341. Epub 2021 Jul 30.

Department of Chemistry, Hokkaido University, North 10, West 8, Sapporo 060-8510, Japan.

Identification of catalysts is a difficult matter as catalytic activities involve a vast number of complex features that each catalyst possesses. Here, catalysis gene expression profiling is proposed from unique features discovered in catalyst data collected by high-throughput experiments as an alternative way of representing the catalysts. Combining constructed catalyst gene sequences with hierarchical clustering results in catalyst gene expression profiling where natural language processing is used to identify similar catalysts based on edit distance. Read More

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Discovery of nanoscale sanal flow choking in cardiovascular system: exact prediction of the 3D boundary-layer-blockage factor in nanotubes.

Sci Rep 2021 07 29;11(1):15429. Epub 2021 Jul 29.

All India Institute of Medical Sciences, New Delhi, 110608, India.

Evidences are escalating on the diverse neurological-disorders and asymptomatic cardiovascular-diseases associated with COVID-19 pandemic due to the Sanal-flow-choking. Herein, we established the proof of the concept of nanoscale Sanal-flow-choking in real-world fluid-flow systems using a closed-form-analytical-model. This mathematical-model is capable of predicting exactly the 3D-boundary-layer-blockage factor of nanoscale diabatic-fluid-flow systems (flow involves the transfer of heat) at the Sanal-flow-choking condition. Read More

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Developing a programme theory for a transdisciplinary research collaboration: Complex Urban Systems for Sustainability and Health.

Wellcome Open Res 2021 14;6:35. Epub 2021 Jul 14.

Institute for Global Health, University College London, London, WC1N 1EH, UK.

Environmental improvement is a priority for urban sustainability and health and achieving it requires transformative change in cities. An approach to achieving such change is to bring together researchers, decision-makers, and public groups in the creation of research and use of scientific evidence. This article describes the development of a programme theory for Complex Urban Systems for Sustainability and Health (CUSSH), a four-year Wellcome-funded research collaboration which aims to improve capacity to guide transformational health and environmental changes in cities. Read More

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Discovering and Summarizing Relationships Between Chemicals, Genes, Proteins, and Diseases in PubChem.

Front Res Metr Anal 2021 12;6:689059. Epub 2021 Jul 12.

National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, United States.

The literature knowledge panels developed and implemented in PubChem are described. These help to uncover and summarize important relationships between chemicals, genes, proteins, and diseases by analyzing co-occurrences of terms in biomedical literature abstracts. Named entities in PubMed records are matched with chemical names in PubChem, disease names in Medical Subject Headings (MeSH), and gene/protein names in popular gene/protein information resources, and the most closely related entities are identified using statistical analysis and relevance-based sampling. Read More

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Identifying Chemical Reactions and Their Associated Attributes in Patents.

Front Res Metr Anal 2021 12;6:688353. Epub 2021 Jul 12.

Department of Computer Science, Virginia Commonwealth University, Richmond, VA, United States.

Chemical patents are an essential source of information about novel chemicals and chemical reactions. However, with the increasing volume of such patents, mining information about these chemicals and chemical reactions has become a time-intensive and laborious endeavor. In this study, we present a system to extract chemical reaction events from patents automatically. Read More

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Organic chemistry as representation.

Authors:
Eamonn F Healy

Found Chem 2021 Apr 6;23(1):59-68. Epub 2020 Jul 6.

Department of Chemistry, St. Edward's University, Austin, TX 78704, USA.

Electron redistribution is the cornerstone of our understanding of chemical reactivity. For the vast majority of organic reactions electrons are assumed to move in pairs providing explanatory mechanisms through the generation of intermediate structures. But for many transformations these discrete steps are idealized constructs, involving intermediates assumed but not empirically justified. Read More

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Guided endodontic microsurgery in apicoectomy: a review.

J Biol Regul Homeost Agents 2021 May-Jun;35(3 Suppl. 1):47-55

University of Rome "Tor Vergata", Department of Chemical Science and Technologies, Rome, Italy.

The purpose of this review was twofold. The first aim was to show predictable protocols of guided endodontic microsurgery (EMS) and to describe its clinical outcomes. The second aim was to verify the accuracy of this technique compared to the traditional pathway. Read More

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The role of periodontal bacteria, Porphyromonas Gingivalis, in Alzheimer's disease pathogenesis and aggravation: a review.

J Biol Regul Homeost Agents 2021 May-Jun;35(3 Suppl. 1):37-45

Department of Chemical Science and Technologies, Dentistry, University of Rome "Tor Vergata", Rome, Italy.

The aim of this study was to establish the role of Porphyromonas gingivalis in Alzheimer's disease. An electronic search of publications was established from three electronic databases: Cochrane, PubMed and Web of Science. The search strategy used a combination of controlled vocabulary and free-text words. Read More

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