31,824 results match your criteria compounds linear

Effects of mechanical ventilation on indoor air quality and occupant health status in energy-efficient homes: A longitudinal field study.

Sci Total Environ 2021 Apr 26;785:147324. Epub 2021 Apr 26.

Department of Social and Preventive Medicine, Sungkyunkwan University School of Medicine, Suwon, Republic of Korea. Electronic address:

Despite the growing interest in energy-efficient homes (EEHs), there is still a lack of evidence regarding whether the mechanical ventilation system of an EEH positively or negatively impacts indoor air quality (IAQ) and the health and wellbeing of occupants. This study aimed to evaluate the IAQ level and daily health symptoms of adults and children living in EEHs compared to conventional buildings over the course of one year. A two-way mixed analysis of variance was conducted to compare the level of IAQ between the two housing types. Read More

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Chemical profiling and multi-components quantitative analysis of Panzerina lanata by ultra-fast liquid chromatography with tandem mass spectrometry.

J Sep Sci 2021 May 3. Epub 2021 May 3.

School of Pharmacy, Key Laboratory of Ethnomedicine of Ministry of Education, Minzu University of China, Beijing, China.

Panzerina lanata is a Chinese medicine with the bioactivity of detumescence and detoxification. In this study, novel qualitative and quantitative methods were established by ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry and ultra-high-performance liquid chromatography-triple quadrupole linear ion trap mass spectrometry, respectively. As a result, 20 compounds were identified or tentatively characterized, including flavonoids, organic acids, alkaloids, and lignans, 5 of which were identified for the first time based on the reference standards. Read More

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Controlling catenation in Ge(I) chemistry through hemi-lability.

Angew Chem Int Ed Engl 2021 May 3. Epub 2021 May 3.

University of Oxford, Chemistry, Inorganic Chemistry Laboratory, South Parks Road, SN77RR, Oxford, UNITED KINGDOM.

We present a novel approach for constructing chains of group 14 metal atoms linked by unsupported metal-metal bonds that exploits hemi-labile ligands to generate unsaturated metal sites. The formation/nature of catenated species (oligo-dimetallynes) can be controlled by the use of (acidic/basic) 'protecting groups' and through variation of the ligand scaffold. Reduction of ArNiPr2GeCl (ArNiPr2 = 2,6-(iPr2NCH--2)2C6H-3) - featuring hemi-labile NiPr2 donors - yields (ArNiPr2Ge)4 (2), which contains a tetrameric Ge4 chain. Read More

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Development of a group-specific antibody-based immunoassay method for simultaneously detecting sildenafil-like adulterants in herbal spirit drinks.

Food Addit Contam Part A Chem Anal Control Expo Risk Assess 2021 May 1:1-12. Epub 2021 May 1.

College of Food Science, Guangdong Provincial Key Laboratory of Food Quality and Safety, South China Agricultural University, Guangzhou, P. R. China.

Phosphodiesterase type 5 (PDE-5) inhibitors are commonly used to treat erectile dysfunction. There is a problem with synthesis and illegal use of a wide range of analogues of the licenced drugs and a simple class-wide analytical method is required. In this work, based on structural modelling, we developed an immunological method using norneovardenafil as a hapten as it contains only the general sub-structure and the common features of sildenafil-like adulterants, such as hydrophobic centres, hydrogen-bond donor atoms and hydrogen-bond acceptor atoms. Read More

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A biomolecule chiral interface base on BSA for electrochemical recognition of amine enantiomers.

Chirality 2021 May 2. Epub 2021 May 2.

Changzhou University Huaide College, Jingjiang, China.

A composite chiral interface (BSA-MB-MWCNTs) was prepared from bovine serum albumin (BSA), methylene blue (MB), and multi-walled carbon nanotubes (MWCNTs) for chiral recognition of amine enantiomers (1S, 2S)-N,N'-dimethyl-1,2-cyclohexanediamine and (1R, 2R)-N,N'-dimethyl-1,2-cyclohexanediamine. The BSA-based composite was characterized by field emission scanning electron microscopy (FESEM) and ultraviolet-visible spectroscopy (UV-Vis). The electrochemical responses towards the two enantiomers were analyzed via cyclic voltammetry (CV), electrochemical AC impedance method (EIS), and differential-pulse voltammetry (DPV). Read More

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Long-term Diet Quality and Gut Microbiome Functionality: A Prospective, Shotgun Metagenomic Study among Urban Chinese Adults.

Curr Dev Nutr 2021 Apr 2;5(4):nzab026. Epub 2021 Apr 2.

Division of Epidemiology, Department of Medicine, Vanderbilt University Medical Center, Nashville, TN, USA.

Background: Diet is known to affect human gut microbiome composition; yet, how diet affects gut microbiome functionality remains unclear.

Objective: We compared the diversity and abundance/presence of fecal microbiome metabolic pathways among individuals according to their long-term diet quality.

Methods: In 2 longitudinal cohorts, we assessed participants' usual diets via repeated surveys during 1996-2011 and collected a stool sample in 2015-2018. Read More

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Discovering of the L ligand impact on luminescence enhancement of Eu(Dibenzoylmethane).L complexes employing transient absorption spectroscopy.

Spectrochim Acta A Mol Biomol Spectrosc 2021 Apr 20;258:119832. Epub 2021 Apr 20.

Department of Physics, Sofia University, 5 J. Bourchier Blvd., 1164 Sofia, Bulgaria; John Atanasoff Center for Bio and Nano Photonics (JAC BNP), 1164 Sofia, Bulgaria.

The effect of luminescent enhancement under exchange of the auxiliary ligand in Europium(III) tris(1,3-diphenyl-1,3-propanedionato) monohydrate was investigated by steady-state and time-resolved transient absorption spectroscopy. The excited state relaxation dynamics of this complex was analysed through a comparison of the experimental data obtained for several model compounds, namely Eu(DBM)·NH, Eu(DBM).EDA, Eu(DBM). Read More

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Comparison of in-silico modelling and reversed-phase liquid chromatographic retention on an octadecyl silica column to predict skin permeability of pharmaceutical and cosmetic compounds.

J Pharm Biomed Anal 2021 Apr 22;201:114095. Epub 2021 Apr 22.

Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, B-1090, Brussels, Belgium. Electronic address:

This study focuses on the in-silico modelling of the skin permeability using a test set of pharmaceutical and cosmetic compounds. Two sets of theoretical molecular descriptors, obtained from the E-Dragon and Vega ZZ software programs, were used in the models. Different linear regression methods, i. Read More

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Comparative analysis of the physicochemical, toxicokinetic, and toxicological properties of ether-PFAS.

Toxicol Appl Pharmacol 2021 Apr 29:115531. Epub 2021 Apr 29.

FDA/CFSAN/OFAS/DFCS, 5001 Campus Drive, HFS 275, College Park, MD 20740, United States of America.

Perfluoropolyethers, also known as ether-PFAS, are linear or branched alkyl ether polymers, where the substituent hydrogens on the carbon atoms in the chain have been fully replaced by fluorine atoms. Some of these molecules may have a carboxylate functional group attached to one of the terminal carbon atoms to form an ether-PFAS carboxylate. Perfluoropolyethers are used as processing aids in the manufacture of various types of perfluorinated polymeric materials which are used in a variety of consumer applications. Read More

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Simultaneous determination of six main components in Bushen Huoxue prescription by HPLC-CAD.

J Pharm Biomed Anal 2021 Apr 23;201:114087. Epub 2021 Apr 23.

School of Pharmacy, Chengdu University of Traditional Chinese Medicine, No. 1166 Liutai Avenue, Wenjiang District, Chengdu, Sichuan, 611137, China. Electronic address:

Background: The Bushen Huoxue prescription is a traditional Chinese medicine formula treating diabetic retinopathy, which was developed by our research group. Catalpol, puerarin, salvianolic acid B, ginsenoside Rg1, ginsenoside Rb1 and ginsenoside Rd are six of main effective components, which could be partly representative of this prescription. The corona charged aerosol detector (corona CAD) is one kind of universal detectors equipped with the high performance liquid chromatography (HPLC). Read More

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Predictive modelling as a tool for effective municipal waste management policy at different territorial levels.

J Environ Manage 2021 Apr 27;291:112584. Epub 2021 Apr 27.

Institute of Mathematics, Faculty of Mechanical Engineering, Brno University of Technology - VUT Brno, Technická 2896/2, 616 69, Brno, Czech Republic.

Nowadays, the European municipal waste management policy based on the circular economy paradigm demands the closing of material and financial loops at all territorial levels of public administration. The effective planning of treatment capacities (especially sorting plants, recycling, and energy recovery facilities) and municipal waste management policy requires an accurate prognosis of municipal waste generation, and therefore, the knowledge of behavioral, socio-economic, and demographic factors influencing the waste management (and recycling) behavior of households, and other municipal waste producers. To enable public bodies at different territorial levels to undertake an effective action resulting in circular economy we evaluated various factors influencing the generation of municipal waste fractions at regional, micro-regional and municipal level in the Czech Republic. Read More

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Torsion-Induced Nonradiative Relaxation of the Singlet Excited State of -Thienyl Bodipy and Charge Separation, Charge Recombination-Induced Intersystem Crossing in Its Compact Electron Donor/Acceptor Dyads.

J Phys Chem B 2021 Apr 30. Epub 2021 Apr 30.

LENS (European Laboratory for Non-Linear Spectroscopy), via N. Carrara 1, 50019 Sesto Fiorentino, Firenze, Italy.

We prepared a series of -thienyl boron-dipyrromethene (Bodipy) derivatives to investigate the spin-orbit charge transfer intersystem crossing (SOCT-ISC). The photophysical properties of the compounds were studied by steady-state and femtosecond/nanosecond transient absorption spectroscopy, as well as density functional theory (DFT) computations. Different from the -phenyl Bodipy analogues, the -thienyl Bodipy are weakly fluorescent. Read More

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Clinical Perspectives of Theranostics.

Molecules 2021 Apr 13;26(8). Epub 2021 Apr 13.

Department of Radiology, Kyoto Prefectural University of Medicine, Kyoto 602-8566, Japan.

Theranostics is a precision medicine which integrates diagnostic nuclear medicine and radionuclide therapy for various cancers throughout body using suitable tracers and treatment that target specific biological pathways or receptors. This review covers traditional theranostics for thyroid cancer and pheochromocytoma with radioiodine compounds. In addition, recent theranostics of radioimmunotherapy for non-Hodgkin lymphoma, and treatment of bone metastasis using bone seeking radiopharmaceuticals are described. Read More

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Predicting Pharmacokinetic Properties of Potential Anticancer Agents via Their Chromatographic Behavior on Different Reversed Phase Materials.

Int J Mol Sci 2021 Apr 20;22(8). Epub 2021 Apr 20.

Laboratory of Bioorganic Synthesis and Analysis, Chair and Department of Medical Chemistry, Medical University of Lublin, 4A Chodźki Street, 20-093 Lublin, Poland.

The Quantitative Structure-Activity Relationship (QSAR) methodology was used to predict biological properties, i.e., the blood-brain distribution (log ), fraction unbounded in the brain (), water-skin permeation (log ), binding to human plasma proteins (log ), and intestinal permeability (Caco-2), for three classes of fused azaisocytosine-containing congeners that were considered and tested as promising drug candidates. Read More

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Validated Stability-Indicating GC-MS Method for Characterization of Forced Degradation Products of -Caffeic Acid and -Ferulic Acid.

Molecules 2021 Apr 23;26(9). Epub 2021 Apr 23.

Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna Pot 113, SI-1000 Ljubljana, Slovenia.

When dealing with simple phenols such as caffeic acid (CA) and ferulic acid (FA), found in a variety of plants, it is very important to have control over the most important factors that accelerate their degradation reactions. This is the first report in which the stabilities of these two compounds have been systematically tested by exposure to various different factors. Forced degradation studies were performed on pure standards (-CA and -FA), dissolved in different solvents and exposed to different oxidative, photolytic and thermal stress conditions. Read More

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Real Time Breath Analysis Using Portable Gas Chromatography for Adult Asthma Phenotypes.

Metabolites 2021 Apr 23;11(5). Epub 2021 Apr 23.

Department of Biomedical Engineering, University of Michigan, Ann Arbor, MI 48109, USA.

Asthma is heterogeneous but accessible biomarkers to distinguish relevant phenotypes remain lacking, particularly in non-Type 2 (T2)-high asthma. Moreover, common clinical characteristics in both T2-high and T2-low asthma (e.g. Read More

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Effect of Addition on Physicochemical, Nutritional and Functional Characteristics of Corn Extrudates.

Foods 2021 Apr 23;10(5). Epub 2021 Apr 23.

Food Investigation and Innovation Group, Food Technology Department, Universitat Politècnica de València, Camino de Vera s/n, 46022 Valencia, Spain.

Currently, extrudates are considered unhealthy products, being characterized as high in calories; rich in fat, sugar, and salt; and low in nutritional compounds. The aim of this study was to assess the influence of lucerne ( on the physicochemical, nutritional, and functional characteristics of corn extrudates. In order to achieve these goals, water content, water activity, expansion index, bulk density, porosity, hygroscopicity, optical properties, antioxidant activity, individual phenolic acids, folates, individual flavonoids, and volatile compounds were analyzed. Read More

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SARS-CoV-2 Papain-Like Protease Potential Inhibitors-In Silico Quantitative Assessment.

Int J Mol Sci 2021 Apr 12;22(8). Epub 2021 Apr 12.

Centre of New Technologies, University of Warsaw, Banacha 2c, 02-097 Warsaw, Poland.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) encodes the papain-like protease (PLpro). The protein not only plays an essential role in viral replication but also cleaves ubiquitin and ubiquitin-like interferon-stimulated gene 15 protein (ISG15) from host proteins, making it an important target for developing new antiviral drugs. In this study, we searched for novel, noncovalent potential PLpro inhibitors by employing a multistep in silico screening of a 15 million compound library. Read More

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A Propagated Skeleton Approach to High Throughput Screening of Neurite Outgrowth for In Vitro Parkinson's Disease Modelling.

Cells 2021 Apr 17;10(4). Epub 2021 Apr 17.

Department of Neurology, St. Josef-Hospital, Ruhr-University Bochum, 44803 Bochum, Germany.

Neuronal models of neurodegenerative diseases such as Parkinson's Disease (PD) are extensively studied in pathological and therapeutical research with neurite outgrowth being a core feature. Screening of neurite outgrowth enables characterization of various stimuli and therapeutic effects after lesion. In this study, we describe an autonomous computational assay for a high throughput skeletonization approach allowing for quantification of neurite outgrowth in large data sets from fluorescence microscopic imaging. Read More

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Effects on Steroid 5-Alpha Reductase Gene Expression of Thai Rice Bran Extracts and Molecular Dynamics Study on SRD5A2.

Biology (Basel) 2021 Apr 11;10(4). Epub 2021 Apr 11.

Department of Pharmaceutical Sciences, Faculty of Pharmacy, Chiang Mai University, Chiang Mai 50200, Thailand.

Steroid 5-alpha reductases (SRD5As) are responsible for the conversion of testosterone to dihydrotestosterone, a potent androgen, which is the aetiologic factor of androgenetic alopecia. This study aimed to compare the gene expression suppression activity exerted by Thai rice bran extracts and their components and investigate the interactional mechanism between bioactive compounds and SRD5A2 using molecular dynamics (MD) simulation. Bran of cv. Read More

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Lipidomics-Based Comparison of Molecular Compositions of Green, Yellow, and Red Bell Peppers.

Metabolites 2021 Apr 14;11(4). Epub 2021 Apr 14.

Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Aurora, CO 80045, USA.

Identifying and annotating the molecular composition of individual foods will improve scientific understanding of how foods impact human health and how much variation exists in the molecular composition of foods of the same species. The complexity of this task includes distinct varieties and variations in natural occurring pigments of foods. Lipidomics, a sub-field of metabolomics, has emerged as an effective tool to help decipher the molecular composition of foods. Read More

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Metabolic, Organoleptic and Transcriptomic Impact of Genes Involved in the Biosynthesis of Linear and Substituted Esters.

Int J Mol Sci 2021 Apr 14;22(8). Epub 2021 Apr 14.

University Bordeaux, ISVV, Unité de Recherche Œnologie EA 4577, USC 1366 INRA, Bordeaux INP, F-33140 Villenave d'Ornon, France.

Esters constitute a broad family of volatile compounds impacting the organoleptic properties of many beverages, including wine and beer. They can be classified according to their chemical structure. Higher alcohol acetates differ from fatty acid ethyl esters, whereas a third group, substituted ethyl esters, contributes to the fruitiness of red wines. Read More

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Self-Assembly of Bottlebrush Block Copolymers in Selective Solvent: Micellar Structures.

Polymers (Basel) 2021 Apr 21;13(9). Epub 2021 Apr 21.

Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux, UMR 5254 CNRS UPPA, 64000 Pau, France.

Block copolymers comprising chemically different bottlebrush blocks can self-assemble in selective solvents giving rise to micellar-like solution nanostructures. The self-consistent field theoretical approach is used for predicting relation between architectural parameters of both bottlebrush blocks (polymerization degrees of the main and side chains, density of grafting of the side chains to the backbone) and structural properties of micelles as well as critical micelle concentration (CMC). As predicted by the theory, replacement of linear blocks by bottlebrush ones with the same degrees of polymerization results in a decrease in the micellar core size (in aggregation number) and extension of the corona, whereas the CMC increases. Read More

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Chemical Hemisynthesis of Sulfated Cyanidin-3--Glucoside and Cyanidin Metabolites.

Molecules 2021 Apr 8;26(8). Epub 2021 Apr 8.

Department of Nutritional and Food Sciences, Molecular Food Technology, University of Bonn, Friedrich-Hirzebruch-Allee 7, D-53115 Bonn, Germany.

The metabolism of anthocyanins in humans is still not fully understood, which is partly due to the lack of reference compounds. It is known that sulfation is one way of the complex phase II biotransformation mechanism. Therefore, cyanidin-3--glucoside and the cyanidin aglycone were chemically converted to their sulfates by reaction with sulfur trioxide-N-triethylamine complex in dimethylformamide. Read More

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α-Glucosidic hydroquinone derivatives from Viburnum erosum.

Phytochemistry 2021 Apr 27;187:112782. Epub 2021 Apr 27.

College of Pharmacy, Kangwon National University, Chuncheon, 24341, Republic of Korea; Bionsight, Inc., Chuncheon, 24341, Republic of Korea. Electronic address:

Six undescribed compounds (1-6) were isolated from the leaves of Viburnum erosum along with four known compounds 7-10. The structures were determined by NMR and MS spectroscopic analyses, and their absolute configurations were established by chemical and spectroscopic methods. Compounds 1-6 were α-glucosidic hydroquinone derivatives with different linear monoterpenoid structures. Read More

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Structural and biological aspects of natural bridged macrobicyclic peptides from marine resources.

Arch Pharm (Weinheim) 2021 Apr 29:e2100034. Epub 2021 Apr 29.

Department of Pharmaceutics, Nootan Pharmacy College, Faculty of Pharmacy, Sankalchand Patel University, Visnagar, Mehsana, Gujarat, India.

Among peptide-based drugs, naturally occurring bicyclic compounds have been established as molecules with unique therapeutic potential. The diverse pharmacological activities associated with bicyclic peptides from marine tunicates, sponges, and bacteria render them suitable to be employed as effective surrogate between complex and small therapeutic moieties. Bicyclic peptides possess greater conformational rigidity and higher metabolic stability as compared with linear and monocyclic peptides. Read More

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In vitro efficacy of plant extracts against gastrointestinal nematodes in goats.

Trop Anim Health Prod 2021 Apr 29;53(2):295. Epub 2021 Apr 29.

Animal and Poultry Science, School of Agricultural, Earth and Environmental Sciences, University of KwaZulu-Natal, P Bag X01 Scottsville, Pietermaritzburg, 3209, South Africa.

Farmers use plant extracts as a potential source of anthelmintic compounds against gastrointestinal nematodes in goats. The objective of the study was to investigate the in vitro anthelmintic activity of aqueous (cold and boiled) and methanolic extracts of Cissus quadrangularis Linn., Aloe marlothii A. Read More

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Isoreticular Crystallization of Highly Porous Cubic Covalent Organic Cage Compounds.

Angew Chem Int Ed Engl 2021 Apr 27. Epub 2021 Apr 27.

Universitaet Wuerzburg, Institut fuer Organische Chemie, Am Hubland, 97074, Wuerzburg, GERMANY.

Modular frameworks featuring well-defined pore structures in microscale domains establish tailor-made porous materials. For open molecular solids however, maintaining long-range order after desolvation is inherently challenging, since packing is usually governed by only a few supramolecular interactions. Here we report on two series of nanocubes obtained by co-condensation of two different hexahydroxy tribenzotriquinacenes (TBTQs) and benzene-1,4-diboronic acids (BDBAs) with varying linear alkyl chains in 2,5-position. Read More

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DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores.

J Mol Model 2021 Apr 26;27(5):136. Epub 2021 Apr 26.

Laboratory of Applied Thermodynamics and Molecular Modeling, Department of Chemistry, Faculty of Science, University of Tlemcen, PB 119, 13000, Tlemcen, Algeria.

A theoretical analysis of a series of imidazole-based Y-shaped chromophores, D1-D8, is performed in order to investigate their non(linear) optical, fluorescence, and charge-transport properties. The calculations have been carried out employing DFT and TD-DFT methods at CAM-B3LYP and M06-2X levels of theory. FMO analysis reveals that in ground state, the highest occupied molecular orbital is localized on the 4,5-dimethylanilino donor moiety and imidazole core while the lowest unoccupied molecular orbital spreads on π-linker and nitro acceptor moieties. Read More

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Ascorbate-dependent and ascorbate-independent Mn porphyrin cytotoxicity: anticancer activity of Mn porphyrin-based SOD mimics through ascorbate-dependent and -independent routes.

Redox Rep 2021 Dec;26(1):85-93

Department of Biochemistry, Faculty of Medicine, Kuwait University, Kuwait City, Kuwait.

Objective: The aim of this study was to investigate how modifications at the periphery of the porphyrin ring affect the anticancer activity of Mn porphyrins (MnPs)-based SOD mimics.

Methods: Six compounds: MnTE-2-PyP with a short ethyl chain on the pyridyl ring; MnTnHexOE-2-PyP and MnTnOct-2-PyP with linear 8-atom alkyl chains, but the former with an oxygen atom within the alkyl chain; MnTE-2-PyPhP and MnTPhE-2-PyP with pyridyl and phenyl substituents, were investigated. Cytotoxicity was studied using pII and MDA-MB-231 cancer cell lines. Read More

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December 2021