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Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.

Charge Transfer --- Molecular Dynamics --- Charge Transport --- Quantum Mechanics --- DNA

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Lithium ion batteries (LIBs) are efficient storage systems for portable electronic devices, electrical power grids, and electrified transportation due to their high-energy density and low maintenance requirements. After their launch into the market in 1990s, they immediately became the dominant technology for portable systems. The development of LiBs for electric drive vehicles has been, in contrast, rather incremental. There are several critical issues, such as an energy density, system safety, cost, and environmental impact of the battery production processes, that remain challenges in the automotive field. In order to strengthen the LiB’s competitiveness and affordability in vehicle technology, the necessity of game-changer batteries is urgent. Recently, a novel approach going beyond Li batteries has become rapidly established. Several new chemistries have been proposed, leading to better performances in terms of energy density, long-life storage capability, safety, and sustainability. However, several challenges, such as a thorough understanding of mechanisms, cell design, long-term durability, and safety issues, have not yet been fully addressed. This book collects some recent developments and emerging trends in the field of “post-lithium” batteries, covering both fundamental and applied aspects of next-generation batteries

metal-air --- zinc-air --- modeling --- simulation --- computational chemistry --- sodium-ion battery --- cathode --- solution combustion synthesis --- capacity retention --- Na0.44MnO2 --- garnet --- solid electrolyte --- lithium metal --- interface --- charge-transfer resistance --- polymer electrolyte --- single-ion conducting --- ionic conductivity --- Raman spectroscopy --- lithium glycerolate --- lithium single-ion conductor --- EIS --- Fourier-Transform Infrared Spectroscopy --- cycling --- catalyst --- carbon nanotubes --- Li-O2 battery

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Polymer-based materials applications in sensors, actuators, and energy conversion play a key role in recently developing areas of smart materials and electronic devices. These areas cover the synthesis, structures, and properties of polymers and composites, including energy-harvesting devices and energy-storage devices for electromechanical (electrical to mechanical energy conversion) and magneto-mechanical (magnetic to mechanical energy conversion), light-emitting devices, and electrically driving sensors. Therefore, the modulation of polymer-based materials and devices for controlling the detection, actuation, and energy with functionalized relative device can be achieved with the present reprint, comprising 12 chapters.This reprint is principally concerned with the topic of materials of materials, especially polymers. The contents not only involve essential information but also possess many novel academic applications in the fields. This Special Issue's title is "Polymer Materials in Sensors, Actuators and Energy Conversion" and covers the research field of polymers .Finally, I am very proud of my dear wife Winnie, son Vincent, and daughter Ruby. I thank them for supporting me in finishing the reprint. The reprint, involving 2 reviews and 10 regular papers, has been accomplished, and I am deeply thankful to all the authors for their assistance in producing a reprint with considerable number of chapters. I also hope that readers can achieve some useful understanding of polymer materials in sensors, actuators, and energy conversion, and that that they will be employed by scientists and researchers.

Research & information: general --- Physics --- polyporphyrin arrays --- chelation --- fluorescence --- hybrid materials --- CP PFO-co-PPV-MEHB --- sub-nanosecond TRS --- amplified spontaneous emission (ASE) spectra --- green emitter --- polymeric nanofluid --- two-step synthesis --- electrochemistry --- redox reaction --- thermal performance --- thermoelectric pipe --- gold nanoparticle --- titanium dioxide nanorod --- poly(vinylidene fluoride) --- heat treatment --- hybrid nanoparticle --- modified Turkevich method --- solar cell --- photovoltaic response --- perovskite --- lead-free --- dopant-free --- Cs2TiBr6 --- NPB --- PCBM --- natural rubber --- triboelectric nanogenerator --- TiO2 nanoparticles --- dielectric constant --- polymerization potentials --- EQCM --- cyclic voltammetry --- ion flux --- PMMA --- acrylic --- actuation jets --- PAJ --- piezoelectric ceramic --- thermal analysis --- electrochemical sensor --- biosensor --- impedimetric --- voltammetric --- polypyrrole --- conducting polymer --- intermediate temperature solid oxide fuel cell --- interface charge transfer impedance --- diffusion impedance --- core-shell structure --- triple-phase boundaries --- electrode electrocatalytic activity --- fiber tilt sensor --- NOA61 --- NOA65 --- polymer --- simultaneous measurement --- fiber Fizeau interferometer --- taper --- gum arabic --- supercapacitors --- EIS --- GCD

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The high importance of free radical chemistry for a variety of biological events, including ageing and inflammation, has attracted considerable interest in understanding the related mechanistic steps at the molecular level. Modelling the free radical chemical reactivity of biological systems is an important research area. When studying free-radical-based chemical mechanisms, biomimetic chemistry and the design of established biomimetic models come into play to perform experiments in a controlled environment, suitably designed to be a similar as possible to cellular conditions. This Special Issue provides readers with a wide overview of biomimetic radical chemistry, where molecular mechanisms have been defined and molecular libraries of products are developed to be used as traces for the discoveries of some relevant biological processes. Several subjects are presented, with five articles and five reviews written by specialists in the fields of DNA, proteins, lipids, biotechnological applications and bioinspired synthesis, with “free radicals” as the common denominator.

guanine --- guanyl radical --- tautomerism --- guanine radical cation --- oligonucleotides --- DNA --- G-quadruplex --- time-resolved spectroscopies --- reactive oxygen species (ROS) --- oxidation --- catalase mimics --- peroxide --- diiron-peroxo complexes --- structure/activity --- kinetic studies --- biomimetic chemistry --- cysteine --- ketone reduction --- free radicals --- pulse radiolysis --- kinetics --- DNA oxidation --- DNA hole transfer --- molecular dynamics --- quantum dynamics --- electron transfer --- charge transfer --- quantum coherence --- chemiluminescence --- reaction mechanisms --- singlet oxygen --- reactive oxygen species --- light emission --- crosslink --- dimerization --- protein oxidation --- radicals --- di-tyrosine --- di-tryptophan --- disulfides --- thiols --- aggregation --- proteomics --- mass spectrometry --- collagen --- riboflavin --- hyaluronic acid --- EPR spectroscopy --- keratoconus --- STEM --- DNA biosensor --- chemical nucleases --- DNA-drug interaction --- copper complexes --- metallodrugs --- MEP pathway --- antibiotics --- IspH --- LytB --- [4Fe-4S] cluster --- reductive dehydroxylation --- bioorganometallic intermediate --- inhibitors --- methionine --- neighboring group effect --- hydroxyl radical --- triplet state of carboxybenzophenone --- one-electron oxidants --- laser flash photolysis --- peptides --- proteins --- n/a

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Derivatization is one of the most widely used sample pretreatment techniques in Analytical Chemistry and Chemical Analysis. Reagent-based or reagent-less schemes offer improved detectability of target compounds, modification of the chromatographic properties and/or the stabilization of sensitive compounds until analysis. Either coupled with separation techniques or as a “stand alone” analytical procedure, derivatization offers endless possibilities in all aspects of analytical applications.

tyrosine kinase inhibitors --- chloranilic acid --- charge-transfer reaction --- 96-microwell spectrophotometric assay --- high-throughput pharmaceutical analysis --- biogenic amines --- Lycium barbarum L. --- HPLC --- derivatization --- amino acids --- esterification --- GC–MS --- pentafluoropropionic anhydride --- stability --- toluene --- pigment --- linseed oil --- derivatisation --- quantification --- P/S ratio --- A/P ratio --- ∑D --- GC-MS --- ureide --- BSTFA --- creatine --- creatinine --- silylation --- TMS --- validation --- low-molecular-weight thiols --- human serum albumin --- α-lipoic acid --- blood plasma --- monobromobimane --- reduction --- sodium borohydride --- high-performance liquid chromatography --- fluorescence detection --- taurine --- glutamine --- clams --- high-resolution mass spectrometry --- nerve agents --- methylation --- chemical warfare agents --- sarin --- Novichoks --- 2-naphthalenethiol --- sulforaphane --- HPLC-UV/Vis --- pharmacokinetics --- acetonitrile-related adducts --- acetylenic lipids --- double and triple bond localization --- in-source derivatization --- mass spectrometry --- acetazolamide --- carbonic anhydrase --- enhancement --- inhibition --- pentafluorobenzyl bromide --- chiral metabolomics --- rice water --- d-amino acids --- enantiomer separation --- dimethyl labeling --- homocysteine thiolactone --- homocysteine --- zone fluidics --- o-phthalaldehyde --- fluorosurfactant-modified gold nanoparticles