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Carbon Nanotube (CNT) has a wide range of applications, including physics, chemistry, and materials sciences. It belongs to the fullerenes (Carbon Allotropes, C60) family and is categorized into single-walled carbon nanotubes (SWNTs) or multi-walled carbon nanotubes (MWNTs). CNTs act as analytical tools consisting of useful features for improving t...
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A. Fractional calculus is a new approach for modeling biological and physical phenomena with memory effects. Fractional calculus uses differential and integral operators including non-integer orders to study the non-linear behavior of physical and biological systems with some degrees of fractionality or fractality. Since the long memory properties...
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It is well known that two-dimensional (2D) MXene-derived quantum dots (MQDs) inherit the excellent physicochemical properties of the parental MXenes, as a Chinese proverb says , “Indigo blue is extracted from the indigo plant, but is bluer than the plant it comes from.” Therefore, 0D QDs harvest larger surface-to-volume ratio, outstanding optical p...
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The segmentation of tomographic images of the battery electrode is a crucial processing step, which will have an additional impact on the results of material characterization and electrochemical simulation. However, manually labeling X-ray CT images (XCT) is time-consuming, and these XCT images are generally difficult to segment with histographical...
Chapter
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Narrative Science examines the use of narrative in scientific research over the last two centuries. It brings together an international group of scholars who have engaged in intense collaboration to find and develop crucial cases of narrative in science. Motivated and coordinated by the Narrative Science project, funded by the European Research Cou...
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Academic vocabulary is a crucial communication tool in academia. Academic vocabularies are supplementary vocabularies used to define technical terms. The same academic vocabulary might appear in various disciplines, but the frequency will vary. This study compiled an academic vocabulary list using textbooks from the Grade 1–9 Curriculum Guidelines...
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We introduce a novel approach to inference on parameters that take values in a Riemannian manifold embedded in a Euclidean space. Parameter spaces of this form are ubiquitous across many fields, including chemistry, physics, computer graphics, and geology. This new approach uses generalized fiducial inference to obtain a posterior-like distribution...
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The present comprehensive chapter would stimulate to overview historical backgrounds and recent topics, regarding C (charge conjugation), P (parity), T (time reversal), CP (charge-parity), PT (parity-time), and CT (charge-time) violations in the framework of CPT (charge-parity-time) invariance in cosmology, elementary particle physics, subatomic an...
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A direct relationship between abnormally rapid global warming and the CO 2 produced by the exploitation and human uses of fossil fuels (coal, oil, natural gas, peat) is the basis of the recommendations made by the Intergovernmental Panel of Experts on Climate Change (the IPCC group) to fight against a worrying climatic drift in the next few decades...
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Integral equations (IEs) are functional equations defined through integral operators, where the unknown function is integrated over a possibly multidimensional space. Important applications of IEs have been found throughout theoretical and applied sciences, including in physics, chemistry, biology, and engineering; often in the form of inverse prob...
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The stereoselective synthesis of geometrical iron(II) complexes bearing azine-NHC ligands is described. Facial and meridional selectivity is achieved as a function of the steric demand of the azine unit, with no remarkable influence of the carbene nature. More specifically, meridional complexes are obtained upon selecting bulky 5-mesityl-substitute...
Article
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Understanding the kinetics of electron transfer reactions involves active research in physics, chemistry, biology, and nano-tech. Here, we propose a model to apply in a broader framework by establishing a connection between thermodynamics and kinetics. From a purely thermodynamic point of view, electronic transfer Marcus' theory is revisited; conse...
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We generalise the two-sided Bogoliubov inequality for classical particles (Delle Site et al. in J Stat Mech Theory Exp 083201, 2017 to systems of quantum particles. As in the classical set-up, the inequality leads to upper and lower bounds for the free energy difference associated with the partitioning of a large system into smaller, independent su...
Book
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This book entitled ‘Recent Development and Techniques in Physical Sciences’ is presented as a guideline to help researchers to get acquainted with the new inventions and theories in the field of Physical Sciences. Physical Science is a collective term for areas of study which includes Physics, Chemistry, Computer Science, Mathematics, Statistics, M...
Article
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Chemistry is one of the oldest in science. It is a branch of basic science that examines the characteristics of all substances in the universe, interactions with each other and the changes that occur after interactions. It's one of the first natural sciences. Chemical science is a multidisciplinary science. Physics, biology, astronomy, archaeology,...
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Chemical Kinetics, an important branch of Physical Chemistry is the study of chemical reactions and is well researched all over the world. A course in Chemical Kinetics is an essential part of Chemistry curricula worldwide. Chemical Kinetics finds important applications in diverse fields. The aim of this book is to introduce the basic concepts of C...
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We present the implementation of trajectory surface-hopping nonadiabatic dynamics for a polarizable embedding QM/MM formulation. Time-dependent density functional theory was used at the quantum mechanical level of theory, whereas the molecular mechanics description involved the polarizable AMOEBA force field. This implementation has been obtained b...
Thesis
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One of the important issues in the context of shaping the city is the possibility of its natural ventilation through aeration wedges, currently developed under capital pressure. The problem of smog and accumulation of pollutants occurs in densely built-up city centers, adjacent districts, as well as in suburban areas. In Poland acceptable pollution...
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We have designed and implemented a student-led mathematics bootcamp to improve mathematical skills and confidence among incoming physical chemistry doctoral students. The bootcamp is held immediately before the start of the first semester of graduate school and uses an active learning approach to review and practice undergraduate mathematics proble...
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Microfluidics is a multidisciplinary science that includes physics, chemistry, engineering, and biotechnology. Such microscale systems are receiving growing interest in applications such as analysis, diagnostics, and biomedical research. Thermoplastic polymers have emerged as one of the most attractive materials for microfluidic device fabrication...
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In the recent past, nanoparticles (NPs) have gained the attention of researchers in diverse felds, including chemistry, physics, agriculture, environmental engineering, biological sciences, and material sciences. It has applications in the catalytic process, food chemistry, electronic devices, agroindustry, industrial products, environmental engine...
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Scientific Research Conference 1.- Objective of Scientific Research, Scientific Methodology, Causality, Deductive and Inductive Reasoning, Organization of Scientific Knowledge: Construction, Hypothesis, Theory, Method, Experiment, Observations, Experiments, Measurements, Results and Uncertainties, Examples of Scientific Experiments. 2.- Significant...
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For many non-equilibrium dynamics driven by small noise, in physics, chemistry, biology, or economy, rare events do matter. Large deviation theory then explains that the leading order term of the main statistical quantities have an exponential behavior. The exponential rate is often obtained as the infimum of an action, which is minimized along an...
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In this paper, density functional theory and theory of contacts and adhesion of fibrillar interfaces (Gecko’s effect) are combined to investigate elasto-capillary-driven self-assembly of carbon nanotubes arrays.
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l -Methionine is an amino acid, which provides anti-oxidative properties. We report on radicals and radical cations being likely (short-lived) intermediates formed upon photo-oxidation reactions of methionine. In this context, we present photo-CIDNP experiments indicating that the character of the photooxidants is decisive for the observation of CI...
Article
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Metal nanoparticles have emerged as immensely desired materials because of their wide array of applications as antimicrobial agents, catalysts, nanomagnets, biosensors, environmental remediating agents, and so forth, but the problem lies with the traditional methods of their synthesis. These methods of synthesis are expensive, complex, less efficie...
Article
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The entropy of a graph is a functional depending both on the graph itself and on a probability distribution on its vertex set. The second law of thermodynamics establishes the concept of entropy as a physical property of a thermodynamic system. Graph entropies defined for various graph invariants have shown applications in different fields of physi...
Article
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The confluent hypergeometric equation, also known as Kummer's equation, is one of the most important differential equations in physics, chemistry, and engineering. Its two power series solutions are the Kummer function, M(a,b,z), often referred to as the confluent hypergeometric function of the first kind, and M ≡ z1-bM(1+a-b, 2-b,z), where a and b...
Preprint
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Most computational chemistry instructional activities are based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the capabiliti...
Article
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The dynamics of a stochastic system that exhibits large fluctuations to a given state are almost deterministic due to weak random perturbations. Such large fluctuations occur with overwhelming probability in the vicinity of the so-called optimal path, which is a vital concept in physics, chemistry, and biology, as it uncovers the way in which a phy...
Preprint
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High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. This diversity of disciplines each come with perspectives and jargon...
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Limited studies investigate the high school teachers’ challenges and strategies while teaching science and mathematics in English as the target language through the content and language integrated learning (CLIL) approach. Hence, this study aimed to investigate the challenges that science and math teachers encounter and the strategies they employ w...
Article
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Iontronics focuses on the interactions between electrons and ions, playing essential roles in most processes across physics, chemistry and life science. Osmotic power source as an example of iontronics, could transform ion gradient into electrical energy, however, it generates low power, sensitive to humidity and can’t operate under freezing point....
Article
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The search for a new energy paradigm with net-zero carbon emissions requires new technologies for energy generation and storage that are at the crossroad between engineering, chemistry, physics, surface, and materials sciences. To keep pushing the inherent boundaries of device performance and lifetime, we need to step away from a cook-and-look appr...
Conference Paper
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PAPER ID: 3752782; PAPER TITLE: Porphyrin-surfactant interactions in aqueous solutions studied by UV-vis spectroscopy, dynamic light scattering and spin probe EPR spectroscopy; [SYMPOSIUM NAME: PHYS - Division of Physical Chemistry].
Article
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Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic materials. When combined with electron donating side-chain functional groups such as thiophenes, they form a very broad class of donor-acceptor molecules: thiophene-diketopyrrolopyrroles (TDPPs). Despite their widescale use in biosensors and photovoltaic materi...
Article
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We present a bias-controlled spin-filtering mechanism in spin-valves including a hybrid organic chain/graphene interface. Wet growth conditions of oligomeric molecular chains would usually lead, during standard CMOS-compatible fabrication processes, to the quenching of spintronics properties of metallic spin sources due to oxidation. We demonstrate...
Article
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Langgikima Subdistrict is one of the subdistricts in North Konawe Regency, Southeast Sulawesi Province which has nickel potential so that several mining companies have invested in this area. Nickel mining activities have had both positive and negative impacts. One of the visible impacts is the decline in river water quality. One of the rivers locat...
Article
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Surface plasmon resonance (SPR) is an optical, real-time and label-free technique which represents a standard to study biomolecular interactions. While SPR signals are usually positive upon recognition, a few cases of negative signals have been reported because of significant conformational transition of the receptor upon the recognition of the tar...
Article
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Clathrate hydrates are emerging as a novel storage medium for safe and compact methane storage. However, their industrial-scale applicability is hindered by sluggish formation kinetics and intense energy cooling requirements. The present study is the first report on binary methane-tetrahydrofuran (THF) formation using a combination of seawater and...
Research
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Special issue: Symmetry/Asymmetry in Molecular Dynamics: Latest Advances and Prospects More details: https://www.mdpi.com/journal/symmetry/special_issues/LBYX8F326E Molecular dynamics is an important tool that has wide applications in diverse fields, including chemistry, physics, materials, biology, etc. Kinetics, dynamics, mechanisms, spectrosco...
Chapter
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Heavy metal contamination is one of the world’s most important concerns, and the rise of industry in some nations has polluted the environment in various ways. To remediate heavy metal contamination from the environment, many methods including physics, chemistry, and biology have been applied. Most of them seem to have drawbacks, such as cost, time...
Article
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We propose to exploit multivalent binding of solid-binding peptides (SBPs) for the physical attachment of antifouling polypeptide brushes on solid surfaces. Using a silica-binding peptide as a model SBP, we find that both tandem-repeated SBPs and SBPs repeated in branched architectures implemented via a multimerization domain work very well to impr...
Article
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Purpose Large-scale railway construction has been extended to the polluted areas of the Loess Plateau. The combined action of locomotive vibration and chemical dissolution of pollutants has caused geological disasters in which the collapse accumulation cover the railway tracks after the loess collapses, endangering traffic safety. The key to reveal...
Article
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Ionic liquids due to widespread applications in various fields of science, such as physics, chemistry, and engineering, have been an emerging topic in the field of research in the last few decades. Ionic liquids are mainly used as electrolytes, solvents, and functional materials. Thermal stability, solubility, and liquid nature at a wide temperatur...
Chapter
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1.0 Introduction Chemistry, is a branch of physical sciences that deals with the study of the nature, composition, and the properties of matter. Chemistry may also be defined as the study of matter and its properties, the changes that matter undergoes, and the energy associated with those changes. Thus Chemistry deals with the makeup of the entire...
Article
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Practical work is a distinctive feature of school science and has close associations with scientific experiment and scientific methods as well. In this study, the nature of practical work was examined in the view of the diversity of scientific methods. Based on an analytical framework derived from Brandon’s matrix consisting of four categories of s...
Book
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Chirogenesis in Chemical Science is an exciting new book that takes readers inside the world of chirality and chirogenesis, guided by Victor Borovkov and Riina Aav, both internationally renowned experts on chirality. Chirality is a fundamental property of the universe and has significance in different organic/inorganic materials, living organisms,...
Article
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A large number of medical experiments have confirmed that the features of drugs have a close correlation with their molecular structure. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a chemical graph enables scientists to have a better understanding of the phy...
Conference Paper
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Metal oxides are useful in a variety of fields, including physics, chemistry, and materials science. The ZrO2-ZnO-Co3O4 nanocomposite was created using a wet chemical method. Metal oxides are indicated by absorption bands centred between 251 nm and 371 nm, with a hump at around 671 nm. The presence of an M-O bond is confirmed by the bands at 569-96...
Article
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How can the transport of fluids in a confined and complex mixed organic/inorganic matrix be far below the expected value from a topological aspect? A good example of this situation is oil shales. Oil and gas shales are source rocks in which organic matter has matured to form hydrocarbons. They exhibit a dual porous network formed by the intertwinin...
Article
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There is a fundamental gap between the inherent complexity of biology and the simplicity that physicists and chemists often seek. In this Perspective, we reason that liquid-liquid phase separation (LLPS) could be utilized to (partially) fill this gap and to bridge different disciplines because LLPS can produce condensed droplets with simplicity and...
Cover Page
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front cover, Journal of Physical Chemistry B
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Fractals are already firmly rooted in modern science. Research continues on the fractal properties of objects in physics, chemistry, biology and many other scientific fields. Fractal graphs as a discrete representation are used to model and describe the structure of various objects and processes, both natural and artificial. The paper proposes an i...
Preprint
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Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of years with the help of machine learning computational techniques such as neural networks. Most of the recent efforts applying neural networks to ab initio calculation have...
Article
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The identification of undergraduate chemistry students’ conceptual difficulties and common mistakes with basic concepts and problems in chemical kinetics provided the aim for this study, which involved 2nd-year/4th semester students who had passed the chemical kinetics component of a physical chemistry course. The study involved the analysis, evalu...
Article
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Cucurbiturils are well known for their ability to form supramolecular systems with ultrahigh affinities binding. Inclusion complex between 4-aminoazobenzene and cucurbit[7]uril has been investigated in aqueous solution by ultraviolet (UV)-spectroscopy, 1H NMR, and molecular simulations. 4-aminoazobenzene shows high affinity in acidic solutions whil...
Article
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In a recent work [A. Nassereddine et al., Small 2021, 17, 2104571] we reported the atomic-scale structure and dynamics of sub-4 nm sized Au nanoparticles (NPs) supported on titania in H2 at atmospheric pressure obtained by using aberration-corrected environmental transmission electron microscopy (ETEM), density functional theory (DFT) optimizations...