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This book is focused on the existing gap between the theoretical bioactivity of (poly)phenols and their real influence in terms of health, once ingested. Due to this, new studies are needed and some examples of new tendencies are included from in vitro and in vivo models which allow for exploring bioaccessibility, bioavailability, and bioactivity, that need to be developed to understand the actual importance of consuming functional foods, rich in these plant secondary metabolites. Moreover, current new strategies need to be developed to enhance the content of these foods, as well as setting up new formulations rich in bioaccessible and bioavailable compounds. Altogether, it could provide a new perspective in therapy, expanding the use of these natural functional compounds, ingredients, and foods in the clinical frame, reducing the use of synthetic drugs. As a result, the joint contribution of multidisciplinary experts from the areas of food science, health, and nutrition, together with the industrial sector, would help to reach these objectives. Taking this into account, diverse studies have been included in this study, which comprises different strategies to approach these objectives from different, complementary, points of view, ranging from the enrichment of by-products in bioactive compounds, through different agricultural techniques, to the assimilation of these compounds by the human body, both in vitro and in vivo, as well as by clinical studies.
cognitive function --- polyphenols --- flavonoids --- CREB protein --- BDNF --- memory --- fruits and vegetables --- cerebral blood flow --- polydatin --- resveratrol --- urate crystals --- pyrophosphate crystals --- crystal-induced inflammation --- dietary intervention --- maqui-citrus juice --- flavanones --- urinary excretion --- UHPLC-ESI-QqQ-MS/MS --- obesity --- Hibiscus sabdariffa --- Lippia citriodora --- olive --- salinity --- osmolytes --- adaptation --- secondary metabolism --- plant growth promoting rhizobacteria (PGPR) --- net photosynthesis --- oleuropein --- water use efficiency (WUE) --- phenolic compounds --- HPLC-DAD --- fluorescence detection --- flavan-3-ols --- procyanidins --- ORAC --- (+)-catechin --- (−)-epicatechin --- dark chocolate --- cranberry --- periodontal diseases --- dental biofilm --- antibacterial activity --- anti-biofilm activity --- F. nucleatum --- P. gingivalis --- A. actinomycetemcomitans --- n/a --- (poly)phenols --- bioactivity --- bioavailability --- inflammation --- secondary metabolites --- antibacterial --- antioxidant --- diet --- fruit --- vegetables
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Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.
Pyrophosphate --- electronic structure --- mechanical properties --- optical properties --- first-principles calculations --- chemical reactivity theory --- HSAB principle --- information theory --- quantum mechanics --- regional complementarity rule --- virial theorem --- free radical scavengers --- antioxidants --- fluoxetine --- depressive disorder --- major --- oxidative stress --- DFT calculations --- reactive oxygen species --- porphyrins, density functional theory --- DFT --- surfaces --- self-assembly --- scanning tunneling microscopy --- dispersion --- nanostructures --- solid state --- condensed phase --- [NiFeSe] hydrogenase --- quantum mechanics (QM)/molecular mechanics (MM), geometry optimizations --- vibrational frequency analyses --- Fourier transform infrared (FTIR) frequencies --- Quercetin molecule --- conformational mobility --- hydroxyl group --- transition state --- concerted rotation of the hydroxyl groups --- quantum-chemical calculations --- quantum technology --- chemical kinetics --- reaction rate --- RRKM theory --- master equation --- coordination complexes --- donor–acceptor systems --- partial electronic flows --- phase–current relations --- subsystem phases --- n/a --- donor-acceptor systems --- phase-current relations
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Temporomandibular Joint Diseases are common and dificult to treat. From diagnosis to treatment, our options are in a broad range. Keeping updated with new technologies is extremely important for researchers and health professionals.
migraine --- TMD --- Korean National Health Insurance Service --- cohort --- aura --- temporomandibular disorders --- inclination of articular eminence --- temporomandibular joint --- glenoid fossa --- surgery --- synovial tissue --- synovitis --- interleukin --- lumican --- matrix metalloproteinases --- tissue inhibitor of metalloproteinases --- cytokine --- biomarker --- temporomandibular disorder --- rheumatic disease --- juvenile idiopathic arthritis --- rheumatoid arthritis --- inflammatory arthritis --- facial pain --- craniomandibular disorders --- validity and reliability --- questionnaires and survey validity study --- bone scintigraphy --- computed tomography --- condylar hyperplasia --- SPECT --- 99mTc-MDP --- cone-beam computed tomography --- malocclusions --- articular eminence inclination --- electromyography --- temporalis anterior --- masseter muscle --- myofascial pain --- myofascial trigger points --- trapezius --- protein expression --- temporomandibular joint dysfunction --- occlusal appliance --- temporomandibular joint disorders --- muscle pain --- removable appliance --- sleep bruxism --- digital dentistry --- diagnostic bruxism splint --- calcium pyrophosphate dihydrate deposition disease --- pseudogout --- X-ray diffraction --- inductively coupled plasma atomic emission spectroscopy
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Mammalian ATP-binding cassette (ABC) transporters constitute a superfamily of proteins involved in many essential cellular processes. Most of these transporters are transmembrane proteins and allow the active transport of solutes, small molecules, and lipids across biological membranes. On the one hand, some of these transporters are involved in drug resistance (also referred to as MDR or multidrug resistance), a process known to be a major brake in most anticancer treatments, and the medical challenge is thus to specifically inhibit their function. On the other hand, molecular defects in some of these ABC transporters are correlated with several rare human diseases, the most well-documented of which being cystic fibrosis, which is caused by genetic variations in ABCC7/CFTR (cystic fibrosis transmembrane conductance regulator). In the latter case, the goal is to rescue the function of the deficient transporters using various means, such as targeted pharmacotherapies and cell or gene therapy. The aim of this Special Issue, “ABC Transporters in Human Diseases”, is to present, through original articles and reviews, the state-of-the-art of our current knowledge about the role of ABC transporters in human diseases and the proposed therapeutic options based on studies ranging from cell and animal models to patients.
ABC transporters --- drug action --- regulatory extension --- regulatory insertion --- mechanism of action --- MRP1 --- MRP4 --- breast cancer --- proliferation --- migration --- invasion --- cAMP --- ABCG2 --- ABCB1 --- blood-brain barrier --- PET --- Alzheimer’s disease --- beta-amyloid --- tariquidar --- erlotinib --- ABCG5 --- ABCG8 --- ATP-binding cassette transporter --- cholesterol --- polar relay --- sitosterolemia --- 5′ untranslated region --- cis-acting elements --- ABCA subfamily --- bioinformatics --- ABC transporter --- therapy response --- disease-free survival --- next-generation sequencing --- competitive allele-specific PCR --- P-glycoprotein --- amyloid-beta --- neuron --- SK-N-SH --- gene therapy --- AAV --- PFIC --- BSEP --- ABCB11 --- bile salts --- intrahepatic cholestasis --- chaperones --- PFIC2 --- BRIC --- ATP-binding cassette transporter A1 (ABCA1) --- cholesterol homeostasis --- reverse cholesterol transport --- HDL-C --- dyslipidemia --- type 2 diabetes --- microparticles --- ABCG2 genotype --- clinico-genetic analysis --- ethnic specificity --- genetic variations --- precision medicine --- rare variant --- Roma --- serum uric acid --- SUA-lowering therapy --- urate transporter --- bile secretion --- ABCB4 --- ABCC2 --- ABCG5/G8 --- molecular partners --- phytosterol --- xenosterol --- atherosclerosis --- gall stone --- ABC --- transporter --- ABC (ATP-binding cassette) transporters --- multidrug resistance --- transport --- trafficking --- urate --- mutations --- polymorphisms --- ABCC6 --- TNAP --- NT5E --- Pseudoxanthoma elasticum (PXE) --- cancer --- membrane protein --- functional divergence --- calcification --- pseudoxanthoma elasticum --- generalized arterial calcification of infancy --- pyrophosphate --- therapies --- ABCA7 --- phagocytosis --- Aβ peptides --- yeast --- multidrug transporter --- anticancer --- antifungal resistance --- mechanism --- peroxisome --- adrenoleukodystrophy --- fatty acids --- gout --- early-onset gout --- hyperuricemia --- uric acid --- BCRP --- single nucleotide polymorphism --- SNP --- homology modeling --- substrate-binding site --- cellular ATP efflux --- mutagenesis --- intracellular traffic --- MDR3 --- phosphatidylcholine --- RAB GTPase --- taxol --- drug transport --- n/a --- Alzheimer's disease --- 5' untranslated region
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What is life? How, where, and when did life arise? These questions have remained most fascinating over the last hundred years. Systems chemistry is the way to go to better understand this problem and to try and answer the unsolved question regarding the origin of Life. Self-organization, thanks to the role of lipid boundaries, made possible the rise of protocells. The role of these boundaries is to separate and co-locate micro-environments, and make them spatially distinct; to protect and keep them at defined concentrations; and to enable a multitude of often competing and interfering biochemical reactions to occur simultaneously. The aim of this Special Issue is to summarize the latest discoveries in the field of the prebiotic chemistry of biomolecules, self-organization, protocells and the origin of life. In recent years, thousands of excellent reviews and articles have appeared in the literature and some breakthroughs have already been achieved. However, a great deal of work remains to be carried out. Beyond the borders of the traditional domains of scientific activity, the multidisciplinary character of the present Special Issue leaves space for anyone to creatively contribute to any aspect of these and related relevant topics. We hope that the presented works will be stimulating for a new generation of scientists that are taking their first steps in this fascinating field.
origin of life --- peptidyl-transferase center --- pseudo-symmetry --- proto-ribosome --- SymR --- emergence of biological systems --- RNA ligation --- dimerization --- standard genetic codes --- codon assignment --- tRNA --- aminoacyl-tRNA synthetase classes --- thiophene --- acetylene --- transition metal sulfides --- hydrothermal conditions --- early metabolism --- origin-of-life --- prebiotic chemistry --- protein–monosaccharide recognition --- protein–monosaccharide interactions --- FRET analysis --- glycocodon theory --- glucose oxidase --- Mars --- prebiotic chemical evolution --- early Earth --- astrobiology --- CHNOPS --- transition elements --- sample return --- exoplanets --- complex organic molecules --- astrochemistry --- interstellar medium --- molecular ices --- solid state --- protoplanetary disks --- star forming regions --- comets --- vesicles --- division --- urea–urease enzymatic reaction --- bending modulus --- budding --- ADE theory --- dynamic kinetic stability --- cognition --- chemical evolution --- systems chemistry --- metabolism --- network expansion simulation --- temperature --- thermodynamics --- protocell --- compartment --- solid interface --- lipid --- polymerization --- cyclic nucleotides --- autocatalytic set --- osmotic pressure --- cell division --- lipid membrane --- bistable reaction system --- template-directed RNA synthesis --- origin of genetic code --- time order of canonical amino acids --- proto-metabolism --- chirogenesis --- quartz --- amino acids --- radiation damage --- GC×GC-TOFMS --- origins of life --- prebiotic membranes --- protoamphiphiles --- metal ions --- hot springs --- N-acyl amino acid --- analogue conditions --- viroids --- ribozyviruses --- primordial replicators --- ribozymes --- bilayer structure --- molecular dynamics --- aggregation process --- selection --- evolution --- Fenton chemistry --- reduced phosphorus --- pyrophosphate --- chemical complexity --- minerals --- schreibersite --- olivine --- serpentinite --- ulexite --- n/a --- protein-monosaccharide recognition --- protein-monosaccharide interactions --- urea-urease enzymatic reaction
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