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  • 1
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    Recent Advances in Thermoelectric Materials for High Efficiency Energy Conversion and Refrigeration (2022)
    MDPI - Multidisciplinary Digital Publishing Institute
    Details
    Publication Date: 2024-04-11
    Description: Thermoelectricity is a well-known phenomenon that enables the conversion of heat into electric energy without moving parts. Its exploitation has been widely considered to contribute to the increasing need for energy along with the concerns about the environmental impact of traditional fossil energy sources. In the last few years, significant improvements in the performance of thermoelectric materials have been achieved through chemical doping, solid solution formation, and nanoengineering approaches. Furthermore, the feasibility of flexible, stretchable, and conformable thermoelectric harvesters has been demonstrated and has attracted the interest of an audience from many different fields. However, the path for practical applications of thermoelectrics is still a long one. This Special Issue of Materials intends to bridge the gap between materials science and applications of thermoelectric materials. Many topics are welcome: new thermoelectric compounds; the correlation between material structure and thermoelectric properties; bulk thermoelectric ceramics, oxides, and chalcogenides; bulk thermoelectric alloys and intermetallics; organic and polymeric thermoelectrics; thermoelectric thin films, multilayers, and nanocomposites; theory and modeling; thermal transport and thermal conductivity; applications and devices based on thermoelectric materials; standardization and metrology; and more.
    Keywords: thermoelectricity ; skutterudites ; crystal structure ; powder x-ray diffraction ; thermal conductivity ; calcium cobaltite ; TE performance ; electrical properties ; composite ; redox tuning ; thermoelectric materials ; joining ; skutterudite alloy ; Co-Mo metallization layer ; Seebeck coefficient ; thin film ; oxides ; copper tin sulfide ; Cu2SnS3 ; CTS ; thermal stability ; chalcogenide ; material production ; porosity ; porous thermoelectric materials ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TG Mechanical engineering and materials::TGM Materials science
    Language: English
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  • 2
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    Enzyme Catalysis (2023)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-11
    Description: Enzyme-mediated catalysis offers special advantages over chemical methods. First of all, enzymes are considered an environmentally friendly tool as they help to avoid the requirements of toxic chemicals and high energy. In addition, more feasible processes can be accomplished through enzymatic reactions owing to the enzyme’s innate properties related to high substrate specificity and selectivity. For this reason, biotechnological production of a wide range of products, such as alternative fuels and value-added biochemicals, has been commercially applicable with the aid of enzymes, either in isolated form or in the whole-cell system. In particular, enzymatic transformation of low-value but cheap/abundant starting materials (i.g. biomass) into high-value materials can facilitate the circular and sustainable bioeconomy. This Special Issue on “Enzyme Catalysis: Advances, Techniques, and Outlooks” consists of six articles, which address diverse industrially relevant enzymes with applications in foods, detergent, cosmetics, medicine, etc. A robust methodology related to enzyme kinetics is also addressed.
    Keywords: CYP102A1 ; atorvastatin ; 4-hydroxy atorvastatin ; hydrogen peroxide ; P450 peroxygenase ; NADPH ; enzyme inhibition ; integrated Michaelis–Menten equations ; reaction product inhibition ; two mutually exclusive inhibitors ; protease ; detergent ; surfactant ; cleaning ; glucose isomerase ; xylose isomerase ; high-fructose corn syrup ; HFCS ; bioethanol ; structure ; l-fucose isomerase ; l-fucose ; l-fuculose ; extremophile ; halothermophilic bacteria ; Halothermothrix orenii ; lysozyme ; muramidase ; N-acetylmuramide glycanhydrolase ; human ; N-acetyl-β-d-glucosaminidase ; NAG ; crystal structure ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology
    Language: English
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  • 3
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    Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (Volume II) (2023)
    MDPI - Multidisciplinary Digital Publishing Institute
    Details
    Publication Date: 2024-04-11
    Description: The special issue of Crystals entitled “Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds” (Volume II) resulted in the publication of 13 articles. The chemistry of coordination compounds plays a vital role in various areas of science, including inorganic chemistry, biochemistry, catalysis, materials science, and medicine. The main goal of this edition was the synthesis of new complex compounds with interesting properties. In order to achieve this goal, it was important to know the crystal structure and intermolecular interactions described by Hirshfeld surfaces. The crystal structure analysis plays a crucial role in predicting and correlating material properties and designing new materials. Whereas the Hirshfeld analysis provides valuable insights into the interactions between atoms in a crystal structure. It can be used to quantify and visualize intermolecular contacts, hydrogen bonding patterns, and other types of non-covalent interactions. Additionally, it can also help understand the effects of crystal packing on molecular properties, such as charge transfer, electrostatic interactions, and deformation of electron density. Overall, the chemistry of coordination compounds provides a rich framework for understanding and manipulating the properties and behavior of various substances. Its significance spans across different scientific disciplines, contributing to advancements in technology, medicine, and our understanding of the natural world. I hope, that readers will find interesting articles in this special issue of Crystals.
    Keywords: crystal structure ; alkali salts ; surface analysis ; ionic liquids ; Hirshfeld surfaces ; α-glucosidase inhibition ; molecular docking simulation ; molecular dynamics simulations ; binding free energy calculations ; copper (II) complex ; synthesis ; HIV-1 protease enzyme inhibitor ; non-covalent interactions ; Hirshfeld surface ; molecular docking ; Citrulline ; copper ; DFT calculations ; Hirshfeld surface analysis ; magnesium ; formate ; acetate ; propionate ; hexamethylenetetramine ; thermal analysis ; infrared spectroscopy ; hydrogen bonds ; organotin(IV) compounds ; NMR spectroscopy ; cyclic dimeric ; noncovalent interactions ; antibacterial activity ; polymorphism ; Hirshfeld analysis ; trinuclear copper ; pyrazolato ligands ; co-crystal hydrate ; supramolecular assemblies ; enclathration ; cooperative π-stacking ; transition metals ; organic–inorganic hybrid ; lead(II) perovskite ; Schiff-base ligand ; QTAIM analysis ; reflectance spectra ; band gap ; phenanthroline ligand ; supramolecular interactions ; π-stacking ; IR and Raman spectroscopy ; self-assembly ; hydrogen bonding ; X-ray structure ; rhenium(II) ; triazole ; pyrazole ; imidazole ; tetrazole ; magnetic properties ; thallium ; indium ; main group chemistry ; tripodal ligand ; thiol ligand ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering
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  • 4
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    Pharmaceutical Crystals (Volume II) (2023)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-11
    Description: The crystalline state is the most commonly used as an essential solid in active pharmaceutical ingredients (API). The characterization of pharmaceutical crystals encompasses many scientific disciplines. Still, the core is crystal structure analysis, which reveals the molecular structure of essential pharmaceutical compounds. Crystal structure analysis provides important structural information related to the API's wide range of physicochemical properties, such as solubility, stability, tablet performance, color, and hygroscopicity. These properties should be understood in terms of molecular structures and interactions between molecules in crystals. Information on three-dimensional molecular structures also affords insights into the biological activity of molecules. The second reprint in the series, "Crystalline Pharmaceuticals (Volume II)" focused on the relationship between crystal structure and physicochemical properties. In particular, the new crystal structure of pharmaceutical compounds involving multi-component crystals, such as co-crystals, salts and hydrates, and polymorph crystals, were reported with interest. Such crystal structures contributed to the latest studies that combine morphology, spectroscopic, theoretical calculation, and thermal analysis with the crystallographic study. Thus, this reprint highlights the importance of crystal structure information in many areas of pharmaceutical science and presents current trends in the structure-property study of pharmaceutical crystals. The Guest Editors of this reprint hope the readers enjoy a wide variety of recent studies on "Crystalline Pharmaceuticals."
    Keywords: anastrozole ; non-covalent interactions ; halogen bonding ; lp-π interactions ; DFT ; QTAIM ; synthesis ; crystal structure ; fenclorim ; antifungal activity ; pyrimidine ; enrofloxacin ; salts ; organic acids ; solubility ; methimazole ; 1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane ; solid-state forms ; hydrates ; dehydration ; disordered crystal structure ; hydrogen bonding ; in silico docking ; Hirshfeld surface ; NF-κB signaling ; IKKβ inhibitor ; venetoclax ; crystals ; hydrate ; conformation ; X-ray diffraction ; nanocrystalline materials ; physicochemical characterization ; vibrational spectroscopy ; X-ray analysis ; thermal analysis ; critical quality attributes ; Disopyramide ; Terephthalic acid ; salt ; molecular packing ; slurry crystallization ; disopyramide ; phthalic acid ; metastable ; crystal structure analysis ; diclofenac ; diclofenac sodium ; hydration–dehydration mechanism ; anhydrate ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TQ Environmental science, engineering and technology
    Language: English
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  • 5
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    Advances in Oligosaccharides and Polysaccharide Modifications in Marine Bioresources (2023)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-11
    Description: Due to global climate change, environmental issues have become more conscious. Seaweeds play a major role in blue carbon, which fixes carbon to the ocean by taking in carbon dioxide through photosynthesis and producing polysaccharides. In addition to environmental problems, marine polysaccharides have various modifying groups and have been found to have different functionality from land plants. Marine polysaccharides have been used in foods and medicines. Recently, novel biocatalysis of polysaccharide-relating enzymes has been discovered. As a result, the functionality of oligosaccharides from marine polysaccharides has been clarified, e.g., health functionality such as anti-cancer, anti-inflammatory effect, intestinal regulation and antioxidant activity. This Special Issue aims to accumulate the knowledge of preparation, function, structure, and application of bioactive oligosaccharides and polysaccharides-relating enzymes from marine organisms. This Special Issue aimed to contribute to the achievement of multiple goals of Sustainable Development Goals (SDGs) (No. 2, 3, 12, 14), and we invited scientists to submit their latest research findings in this field. Comprehensive review papers are also welcomed.
    Keywords: chitinases ; crystalline chitin ; chitooligosaccharides ; N,N′-diacetylchitobiose ; Pseudoalteromonas ; Ulva ; polysaccharide ; oligosaccharide ; structure ; preparation ; activity ; glucanase ; Vibrio ; carbohydrate-binding domain ; glycoside hydrolase family 17 ; keto-deoxy-sugar ; 2-keto-3-deoxy sugar acid ; 2-keto-3-deoxy-l-galactonate ; agarose ; red algae ; 3,6-anhydro-l-galactose ; Codium fragile ; sulfated polysaccharides ; anti-inflammatory activity ; RAW 264.7 cells ; zebrafish ; alginate lyase ; biochemical characterization ; endo/exolytic ; psychrophilic ; cold-tolerant ; fucoidan lyase ; polysaccharides ; crystal structure ; catalytic mechanism ; endo-type ; alkaliphilic ; polyM-preferred ; cold-adaption ; high degree of polymerization ; chitosan oligosaccharide ; N-acetylated chitosan oligosaccharide ; ARPE-19 ; oxidative stress ; Nrf2 ; cancer ; migration ; adhesion ; fucoidans ; human colorectal cancer ; Ecklonia radiata ; Ecklonia maxima ; Sargassum elegans ; monkeypox virus ; protein A29 ; protein A35 ; heparin ; sea cucumbers ; marine sulfated glycans ; surface plasmon resonance ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TC Biochemical engineering::TCB Biotechnology
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  • 6
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    Novel Structural and Functional Material Properties Enabled by Nanocomposite Design (2023)
    MDPI - Multidisciplinary Digital Publishing Institute
    Details
    Publication Date: 2024-04-11
    Description: Nanocomposites have the potential for novel material properties that significantly exceed the capabilities of their individual constituent phases, thereby enabling the exploration of gaps in material property charts. In this book, we aim to provide an overview of the current state of the art, enabling the investigation of novel structural and functional material properties through better understanding and implementation of nanocomposite design. The covered properties of interest encompass the whole material usage span, starting from the structural modifications of nanocomposites by employing different synthesis routes, to assessing their microstructure-dependent mechanical properties such as strength, ductility, and high-temperature stability. Furthermore, we address the functional characteristics of nanocomposites, such as soft magnetic properties or thermoelectricity, as well as tailored property adjustment through design strategies (bioinspired design, chemical sensitivity, bio sensing). Thus, the included contributions detail methods for the synthesis, characterization, modeling, and in-depth understanding of the mechanisms governing the outstanding properties of this fascinating material class.
    Keywords: laser-induced periodic surface structures ; silicon nanocrystals ; surface plasmon-polaritons ; femtosecond laser pulses ; amorphous silicon ; electrophysical measurements ; Raman spectroscopy ; urushiol ; polyacrylonitrile (PAN) ; electrospinning ; acid membrane ; nanofibers ; enameloid ; microstructure ; shark ; teeth ; biodegradable polymers ; graphene ; carbon nanotubes ; nanocomposites ; thermal transport properties ; design of experiments ; multiphysics simulations ; bulk metallic glass ; Vitreloy 1 ; nanoindentation ; cold rolling ; densification ; inhomogeneity ; sintering bonding ; Cu nanoparticles ; liquid Ga ; aluminum metal matrix composites ; gas tightness ; thermoelectric materials ; copper sulfide ; crystal structure ; conductivity ; diffusion ; thermal conductivity ; Seebeck coefficient ; superionic conductors ; biosensor ; physical surface modification ; dip coating ; functionalized carbon nanotube ; electrochemical impedance spectroscopy ; W/Cu composite ; nanocrystalline ; high-pressure torsion ; citrate-coated magnetic nanoparticle ; forward osmosis ; draw solution ; osmotic pressure ; non-ideality analysis ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TG Mechanical engineering and materials::TGM Materials science
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  • 7
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    Organic Conductors (2022)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-11
    Description: This collection of articles focuses on different aspects of the study of organic conductors. Recent progress in both theoretical and experimental studies is covered in this Special Issue. Papers on a wide variety of studies are categorized into representative topics of chemistry and physics. Besides classical studies on the crystalline organic conductors, applied studies on semiconducting thin films and a number of new topics shared with inorganic materials are also discussed.
    Keywords: organic π-radical ; molecular conductor ; phthalocyanine ; three-dimensional network ; three-dimensional electronic system ; organic conductors ; bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) ; bis(ethylenediseleno)tetrathiafulvalene (BEST) ; bis(ethylenedithio)tetraselenafulvalene (BETS) ; electrical resistivity ; magnetic susceptibility ; X-ray analysis ; charge-ordered state ; quantum chemical calculations ; Madelung energy ; magnetic property ; reversible transformation ; spin ladder ; nodal line semimetal ; single-component molecular conductor ; conductivity ; DOS ; tight-binding model ; interacting electrons in one dimension ; electronic and lattice instabilities ; renormalization group method ; X-ray diffraction ; single crystal ; electron density ; molecular orbital ; single-component molecular conductors ; extended-TTF dithiolate ligands ; gold dithiolate complexes ; (BETS)2Fe1−xGaxCl4 ; π-d interaction ; NMR ; charge glass ; heat capacity ; electric current ; electric voltage ; Boson peak ; chirality ; tetrathiafulvalene ; crystal structures ; band structure calculations ; hydrogen bonding ; charge-transfer salts ; (TMTTF)2X ; deuteration ; anions ; charge transport ; tunnel junction ; MOCVD ; quantum well ; co-doping ; solar cells ; (TMTSF)8(I3)5 ; (TMTSF)5(I3)2 ; (TMTSF)4(I3)4·THF ; organic conductor ; crystal structure ; high pressure ; DFT ; MP2 ; organic superconductors ; Beechgard salts ; Maxwell-Garnett approximation ; high-Tc ; pressure effect ; Dirac electron system ; resistivity ; magnetoresistance ; synchrotron X-ray diffraction ; band calculation ; correlated electron materials ; layered organic conductor ; unconventional superconductivity ; vortex dynamics ; d-wave pairing symmetry ; superconducting gap structure ; magnetic field ; flux-flow resistivity ; charge-ordered insulator ; electric double layer transistor ; organic field-effect transistor ; π–d system ; Mott insulator ; strongly correlated electron system ; multiferroic ; dielectric ; photoconductor ; organic semiconductors ; molecular orbitals ; pyroelectricity ; temperature modulation ; molecular ferroelectrics ; radiative temperature control ; thermal diffusion model ; lithium niobate ; first-principles calculation ; density-functional theory ; charge ordering ; hybrid functional ; electronic structure ; nickel–dithiolene complex ; cycloalkane substituent ; crystalline organic charge-transfer complexes ; disordered systems ; overlap integrals ; extended Hückel approximation ; Dirac electrons ; zero-gap semiconductors ; merging of Dirac cones ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TD Industrial chemistry and manufacturing technologies::TDC Industrial chemistry and chemical engineering
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  • 8
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    Materials Processing for Production of Nanostructured Thin Films (2022)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-09
    Description: Thin films are important in many of the technologies used every day, impacting major markets for energy, medicine, and coatings. Scientists and engineers have been producing thin films on a wide range of surfaces for many decades but now have begun to explore giving these films new and controlled structures at the nanometer scale. These efforts are part of the new horizons opened by the field of nanoscience and impart novel structures and properties to these thin films. This book covers some of the methods for making these nanostructured thin films and their applications in areas impacting on health and energy usage.
    Keywords: electrospinning ; poly(ethylene oxide) ; nanofiber diameter ; molecular weight ; concentration ; plasmonics ; localized surface plasmon resonance (LSPR) ; biosensing ; thin film ; gold nanostructures ; lithography ; nanohole array ; nanofabrication ; diphosphate-diarsenate ; crystal structure ; electrical properties ; transport pathways simulation ; metal–organic framework ; fabrication ; patterning ; tri-sodium citrate ; ZnO rod arrays ; response surface methodology ; expanded graphite ; flexible ; polydimethylsiloxane ; stretchable ; thin films ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues
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  • 9
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    Supramolecular Chemistry in the 3rd Millennium (2022)
    MDPI - Multidisciplinary Digital Publishing Institute
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    Publication Date: 2024-04-09
    Description: This Special Issue is one of the first for the new MDPI flagship journal Chemistry (ISSN 2624-8549) which has a broad remit for publishing original research in all areas of chemistry. The theme of this issue is Supramolecular Chemistry in the 3rd Millennium and I am sure that this topic will attract many exciting contributions. We chose this topic because it encompasses the unity of contemporary pluridisciplinary science, in which organic, inorganic, physical and theoretical chemists work together with molecular biologists and physicists to develop a systems-level understanding of molecular interactions. The description of supramolecular chemistry as ‘chemistry beyond the molecule’ (Jean-Marie Lehn, Nobel Lecture and Gautam R. Desiraju, Nature, 2001, 412, 397) addresses the wide variety of weak, non-covalent interactions that are the basis for the assembly of supramolecular architectures, molecular receptors and molecular recognition, programed molecular systems, dynamic combinatorial libraries, coordination networks and functional supramolecular materials. We welcome submissions from all disciplines involved in this exciting and evolving area of science.
    Keywords: anion binding ; chloride receptor ; switchable system ; hydroquinone ; redox switch ; metal-organic frameworks ; vapour sorption ; solvatochromism ; desorption kinetics ; ion-channels ; crown-ethers ; bilayer membranes ; self-assembly ; supramolecular chemistry ; host–guest chemistry ; coordination cage ; catalysis ; crystal structure ; copper chloride complexes ; H-bonding pattern ; tetrazole ligands ; X-ray diffraction ; Hirshfeld surfaces ; uranium(VI) ; carboxylates ; capsules ; structure ; luminescence ; multicomponent cocrystal ; cocrystallization mechanism ; cocrystal synthesis ; crystal engineering ; porous material ; molecular recognition ; halogen bond ; co-crystal ; molecular tecton ; binary solid ; network structure ; σ-hole ; molecular electrostatic potential ; calixarenes ; coordination clusters ; manganese ; molecular magnetism ; host–guest interaction ; cucurbit[7]uril ; 4-pyrrolidinopyridinium ; copper complexes ; chlorido ligand displacement ; catalysis regulation ; Schiff base ligands ; urea hydrolysis ; coordination chemistry ; hydrogen bonds ; metalla-assemblies ; coordination-driven self-assembly ; orthogonality ; ligands ; metal ions ; complementarity ; hydrogen bonding ; cyclotricatechylene ; metal–organic cage ; helicate ; metallosupramolecular ; chirality ; copper(II) complexes ; pyrazolato ligands ; supramolecular assembly ; X-ray crystallography ; magnetic susceptibility ; EPR spectroscopy ; isotropic exchange ; antisymmetric exchange ; dipolar interaction ; DFT calculations ; hydrogen bond ; pyrazine ; chloropyrazine ; chloropyrazin-2-amine ; copper halide ; supramolecular structure ; conformational polymorphism ; intermolecular contacts ; N,N′,N″,N‴-Tetraisopropylpyrophosphoramide ; pyrophosphoramide ; synthons ; supramolecular motifs ; n/a ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues
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  • 10
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    Soft Crystals (2023)
    Springer Nature | Springer Nature Singapore
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    Publication Date: 2024-04-06
    Description: This open access book introduces the science of the new materials, soft crystals, by showing various interesting examples. Different from conventional hard and stable crystals, the soft crystals respond to gentle stimuli such as vapor exposure and rubbing but maintain their structural order. In this book, their exhibition of remarkable visual changes in their shape, color, and luminescence is described. Through the chapters, historical background, recent remarkable developments, and future prospects are described concisely. This book helps readers to understand a new concept of materials that have the characteristics of stimulus-sensitive soft matter and finely controlled crystals and to design novel materials with the characteristics. The English translation of this book from its Japanese language original manuscript was done with the help of artificial intelligence (machine translation by the service DeepL.com). The text has subsequently been revised further by a professional copy editor in order to refine the work stylistically.
    Keywords: stimulus response ; soft crystal ; luminescence ; chromism ; phase transition ; crystal structure ; polymorph ; thema EDItEUR::P Mathematics and Science::PN Chemistry::PNK Inorganic chemistry ; thema EDItEUR::P Mathematics and Science::PN Chemistry ; thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry ; thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TG Mechanical engineering and materials::TGM Materials science ; thema EDItEUR::P Mathematics and Science::PH Physics::PHF Materials / States of matter::PHFC Condensed matter physics (liquid state and solid state physics)
    Language: English
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