Surface initiated atom transfer radical polymerization (SI-ATRP) is one of the most versatile technique to modify the surface properties of material. Recent developed metal free SI-ATRP makes such technique more widely applicable. Herein photo-induced metal-free SI-ATRP of methacrylates, such as methyl methacrylate, N-isopropanyl acrylamide, and N,N- dimethylaminoethyl methacrylate, on the surface of SBA-15 was reported to fabricate organic-inorganic hybrid materials. SBA-15 based polymeric composite with adjustable graft ratio was obtained. The structure evolution during the SI-ATRP modification of SBA-15 was monitored and verified by FT-IR, XPS, TGA, BET, and TEM. The obtained polymeric composite showed enhanced adsorption ability for the model compound toluene in aqueous. This procedure provides a low cost, ready availability, and facile modification way to synthesize the polymeric composites without the contamination of metal.

The invariant mass of free particles is used to derive a bound-state equation for several particle atomic systems at rest. This relativistic-kinematic bound-state equation is applied to the hydrogen and helium atoms. The derived equation has the well-known solutions for the single-electron bound states of the hydrogen atom, and the two-electron states of the helium atom. For the hydrogen atom, existence of the two-particle bound states, for which the electron and the proton kinetic energies are of the same order of magnitude, is predicted. The three-particle bound states with the same feature of the kinetic energies can exist in the helium atom. Radiative operators for processes involving the hydrogen two-particle bound states, are obtained. It is discussed that these new two- and three-particle bound states should be optically inactive.

The performance of the absolute atom gravimeters used on moving platforms, such as vehicles, ships and aircrafts, is strongly affected by the vibration noise. To suppress its influence, we summarize a vibration compensation method utilizing data measured by a classical accelerometer. The measurements with the accelerometer show that the vibration noise in the vehicle can be 2 order of magnitude greater than that in the lab during daytime, and can induce an interferometric phase fluctuation with a standard deviation of 16.70π. With the compensation method, our vehicle-mounted atom gravimeter can work normally in these harsh conditions. Comparing the Allan standard deviations before and after the vibration noise correction, we find a suppression factor of 22.74 can be achieved in static condition with an interrogation time of T = 20 ms, resulting a sensitivity of 1.35 mGal/Hz1/2, and a standard deviation of 0.5 mGal with an average time of 10 s. We also demonstrate the first test of an atom gravimeter in a moving vehicle, in which a suppression factor of 50.85 and a sensitivity of 60.88 mGal/Hz1/2 were realized with T = 5 ms.

Radical reactions are powerful in the synthesis of diverse molecular scaffolds bearing functional groups. In pervious review articles, we have presented 1,2-difunctionalizations, remote 1,3-, 1,4-, 1,5-, 1,6- and 1,7-difunctionalizations, and addition followed by cyclization reactions. Presents in this paper are radical cyclization followed by the second functionalization reactions. The second functionalization could be realized by atom transfer reactions, radical or transition metal-assisted coupling reactions, and reactions with neutral molecules, cationic and anionic species.

It has been recently demonstrated that inelastic helium-atom scattering from conducting surfaces can provide a direct measurement of the surface electron-phonon coupling constant (mass-enhancement factor ) via the temperature- or the incident-energy-dependence of the Debye-Waller exponent. The analysis of previous published as well as unpublished helium atom scattering diffraction data from the vicinal surfaces of copper (Cu(11),  = 3,5,7) and aluminium (Al(221) and Al(332)) permits to extract  for this class of surfaces, suggesting an enhancement with respect to the corresponding data for the low-index surfaces (111) and (001) above a possible roughening transition temperature. The specific role of steps as compared to that of terraces is briefly discussed.

We investigate some of the fundamental features of the interaction of mixed kaleidoscope states, namely, particular statistical mixtures of coherent states, with two-level atoms in the Jaynes-Cummings model framework. We begin our analysis by calculating the von Neumann entropy of the field which is determined with help of the virtual atom method. Oscillations appear in this entropy that indicate a state of purity greater than the initial state, {it i.e.}, a purification of the initial state is achieved. In this oscillatory region, we obtain the field Wigner function that resembles Schrodinger's cats.

A new method of line shape calculations of hydrogen-like atoms in magnetized plasmas is presented. This algorithm makes it possible to solve two fundamental problems in the broadening theory: the analytical description of the radiation transition array between excited atomic states and account of a thermal ion motion effect on the line shapes formation. The solution to the first problem is based on the semiclassical approach to dipole matrix elements calculations and the usage of the specific symmetry properises of the Coulomb field. The second one is considered in terms of the kinetic treatment of the frequency fluctuation model (FFM). As the result one has a universal description of line shapes under the action of the dynamic of ion’s microfield. The final line shape is obtained by the convolution of the ionic line shape with the Voigt electron-Doppler profile. The method is applicable formally for large values of principle quantum numbers. However, it is demonstrated the efficiency of the results even for well known first members of the hydrogen Balmer series Dalpha and Dbeta. The comparison of obtained results with accurate quantum calculations is presented. The new method may be of interest for investigations of spectral line shapes of hydrogen-like ions presented in different kinds of hot ionized environments with the presence of a magnetic field, including SoL and divertor tokamak plasmas.

Science seeks to explicate truths about our reality. But what is truth? How do we know things? Given our ignorance, and our fallibility, why should scientists be trusted? A theory of knowledge that addresses these human questions is sketched, in conversation with recent advances in thermodynamics which underline the seminal importance of unity by demonstrating (i) a definite physical meaning of the idea of “unitary entity”, (ii) the commensurability of the local and the non-local (resolving the Loschmidt Paradox), and (iii) the applicability of this entropic physics to entities at all scales, whether small (“quantum mechanical”) or large (subject to “general relativity”). Similarly, integrity is indispensable to the scientific enterprise, whether at the level of the mathematico-physical, the practising scientist, the scientific community, or the public. As a human activity aimed at touching reality, it is fundamental that the scientific enterprise necessarily also has an irreducibly poetic component. Although in principle it cannot be completely specified, this enterprise is a cluster of procedures designed to increase our understanding of the natural world. Our apprehension of knowledge is irreducibly personal, depending both on our own individual integrity as well as on the integrity of the scientific community. Believing that “reality” exists and can be grasped (however incompletely), scientists look for coherence and value unified accounts. Strictly speaking, although reality can be known truly (if only in part) the idea of “objective” knowledge is an oxymoron, even if such an idea is often a useful approximation. Knowledge is necessarily personal.

In this paper, a study was conducted on the Ramsey interference and spectral line locking techniques based on rubidium-87 cold atoms. Using sequential control technique, the timing design of a three-dimensional magneto-optical trap (MOT), cold atoms’ free fall, Ramsey microwave interference, and two-level fluorescence detection was realized, achieving the state preparation of cold atoms and clock transitions. By designing an automatic peak-finding algorithm, numerical integration was performed on the time-of-flying (TOF) signal, and narrow linewidth cold atom Ramsey interference fringes were obtained. Based on this, a frequency-hopping method was used to lock the frequency of the 10MHz oven-controlled crystal oscillator (OCXO) in a closed loop, achieving a linewidth of 38Hz. This preliminary result verifies the feasibility of the system design.

This study aims to conduct a content analysis of the postgraduate theses on the education of the concept of atom in Turkey from 2000 to 2023. The study utilized the document analysis method, a qualitative research design approach. The theses were obtained by conducting a search in the "Thesis Center" of the Council of Higher Education (YÖK). "Thesis Classification Form" and "Thesis Screening Form" were used as data collection tools. Content analysis was performed on 51 theses that were conducted between 2000 and 2023 and whose full versions were accessed. It was observed that the theses were conducted in 25 different universities, using more than one data collection tool and analysis method. It was determined that most of the theses were supervised by academicians having the title of Prof.Dr. It was determined that almost all of the theses were conducted in the form of research-studies, qualitative research approach was mostly used as the research method, quasi-experimental model was mostly used as the research model, and students were generally used as the sample group. The most widely used data collection tools in the theses were interviews and achievement tests, while t-tests and content analysis were used as analysis techniques. In the selection of thesis topics, the studies in which teaching methods were tried the most were conducted. It was determined that students had difficulty in understanding the concept of atom and had misconceptions.

Abstract: A perspective is provided which illustrates the central role of quantum mechanics in the structure and periodically varying properties of atoms and in the formation of molecules. Despite having only about one hundred basic building blocks for all substances, chemistry is a subtle discipline due to it’s fundamentally quantum mechanical origin. The atoms, and their behavior as systematized in the Periodic Table, intimately reflect mechanisms natural to quantum mechanics but foreign to classical mechanics. Given their very small mass, the electrons form atomic structures only predictable by the use of quantum mechanics. Thereby the foundation of chemistry is totally dominated by quantum effects which are generally known only empirically, e.g. as in the Periodic Table. Recently these quantum effects have increasingly become known computationally, but not necessarily understood physically and therefore still challenge students and users of chemistry. In order to provide physical insight we extract here, from known facts and relations of quantum mechanics, but without reliance on detailed mathematics or numerical analysis, a simplest, yet fully consistent, physical explanation of atomic structure and periodically variable reactivity. Atomic reactivity is found to arise due to dynamical constraints on electron motion which lead to degeneracy in the atomic energy spectrum. There is a strong correlation between energy degeneracy and reactivity with the inert gas atoms found to display no degeneracy. Chemical bonding follows as a means of atomic reactivity relaxation and reduction of energy degeneracy, achieved by permanent electron rearrangement (ionic bonding) or by oscillatory electron motion between atoms (covalent bonding). Ionic bonding is directly related to the variable stability of atomic structures which extends from neutral atoms to atomic ions. These stable ions then form molecular structures by electrostatic attraction in neutral ionic clusters. The covalent bonding mechanism is fundamentally dynamical and interatomic since it depends directly on the facility with which electrons can move between atomic centers in a molecule. Both the ionic and the covalent mechanism, interatomic displacement and oscillation of electrons, are active in any bond between atoms of different species.

We propose a method that enables precise determination of the number of atoms in a Dick-noise-free optical lattice clock, by effectively addressing quantum projection noise. Our approach relies on conducting stability measurements at three distinct parameter sets, allowing us to differentiate between quantum projection noise, photon shot noise, and technical noise. Importantly, our method enables accurate extraction of the atom number, even in the presence of photon shot noise and technical noise. To validate the effectiveness of our approach, we employ numerical simulations and optimize the modulation parameters to achieve the smallest uncertainty possible. The numerical simulations show the validity of our method and demonstrate a measurement uncertainty in the atom number that is below 4% across a wide range of atom numbers, provided that the standard deviation of atom number fluctuation is kept below 0.23 times the average atom number.

Electrocatalytic and photocatalytic hydrogen evolution reaction (HER) provides a promising approach to clean energy generation. Bimetallic single-atom catalysts raised and have been explored to be advanced catalysts for HER. It is urgent to review and summarize the recent advances in developing bimetallic single-atom HER catalysts. Firstly, the fundamentals of bimetallic single-atom catalysts are presented, highlighting their unique configuration of two isolated metal atoms on supports and resultant synergistic effects. Secondly, recent advances in bimetallic single-atom catalysts for electrocatalytic HER under acidic/alkaline conditions are then reviewed, including W-Mo, Ru-Bi, Ni-Fe, Co-Ag, and other dual-atom systems on graphene and transition metal dichalcogenides (TMDs) with enhanced HER activity versus monometallic analogs due to geometric and electronic synergies. Then, Photocatalytic bimetallic single-atom catalysts on semiconducting carbon nitrides for solar H2 production are also discussed. Finally, an outlook is provided on opportunities and challenges in precisely controlling bimetallic single-atom catalyst synthesis and gaining in-depth mechanistic insights into bimetallic interactions.

Voids in face-centered cubic (fcc) metals are commonly assumed to form by the aggregation of vacancies; however, the mechanisms of vacancy clustering and diffusion are not fully understood. In this study, we use computational modeling to provide a detailed insight into the structures and formation energies of primary vacancy clusters, mechanisms and barriers for their migration in bulk copper, and how these properties are affected at simple grain boundaries. The calculations were carried out using Embedded Atom Method (EAM) potentials and Density Functional Theory (DFT) and employed the Site-Occupation Disorder code (SOD), the Activation Relaxation Technique nouveau (ARTn) and the Knowledge Led Master Code (KLMC). We investigate stable structures and migration paths and barriers for clusters of up to six vacancies. Migration of vacancy clusters occurs via hops of individual constituent vacancies with di-vacancies having a significantly smaller migration barrier than mono-vacancies and other clusters. This barrier is further reduced when di-vacancies interact with grain boundaries. This interaction leads to the formation of self-interstitial atoms and introduces significant changes into the boundary structure. Tetra-, penta-, and hexa-vacancy clusters exhibit increasingly complex migration paths and higher barriers than smaller clusters. Finally, the direct comparison with the DFT results shows that EAM can accurately describe the vacancy-induced relaxation effects in the Cu bulk and in grain boundaries. Significant discrepancies between the two methods were found in structures with a higher number of low-coordinated atoms, such as penta-vacancies and di-vacancy absortion by grain boundary. These results will be useful for modeling the mechanisms of diffusion of complex defect structures and provide further insights into the structural evolution of metal films under thermal and mechanical stress.

Understanding the catalytic performance of different materials is of crucial importance for further technological advancements. This especially relates to the behavior of different classes of catalysts under operating conditions. Here we analyze the effects of local coordination of metal centers (Mn, Fe, Co) in graphene-embedded Single-Atom Catalysts (SACs). We have started from well-known M@N4-graphene catalysts and systematically replaced nitrogen atoms with oxygen or sulfur atom to obtain M@OxNy-graphene and M@SxNy-graphene SACs (x+y=4). We show that local coordination strongly affects the electronic structure and the reactivity towards hydrogen and oxygen species. However, the stability is even more affected. Using the concept of Pourbaix plots, we show that the replacement of nitrogen atoms coordinating metal center with O or S destabilizes SACs towards the dissolution, while the metal centers get easily covered by O and OH acting as additional ligands at high anodic potentials and high pH values. Thus, not only should local coordination be considered in terms of the activity of SACs, but it is also necessary to consider its effects on the speciation of SACs' active centers under different potential and pH conditions.

Hydrogen evolution reaction (HER) is one of the most important reaction in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is impossible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and, recently emerging, single atom catalysts for HER

Recent advances in single-atom catalysis resulted in readily accessible materials whose application in most catalytic reactions mediated by conventional nanoparticle-based catalysts often results in higher activity and selectivity. Can we expect catalysis by atomically dispersed atoms to find practical applications? Which are the hurdles to be overcome prior to widespread uptake of atomically dispersed metals in industrial synthetic processes and in hydrogen fuel cells?

Within this work we review the metal coordination effect on the photophysics of metal dipyrrinato complexes. Dipyrrinato complexes are promising candidates in the search for alternative transition metal photosensitizers for application in photodynamic therapy (PDT). These complexes can be activated by irradiation with light of a specific wavelength, after which cytotoxic reactive oxygen species (ROS) are generated. The metal coordination allows for the use of the heavy atom effect, which can enhance the triplet generation necessary for generation of ROS. Additionally, the flexibility of these complexes for metal ions, substitutions and ligands allows the possibility to tune their photophysical properties. A general overview of the mechanism of photodynamic therapy and the properties of the triplet photosensitizers is given, followed by further details of dipyrrinato complexes described in the literature that show relevance as photosensitizers for PDT. In particular, the photophysical properties of Re(I), Ru(II), Ir(III), Ni(II), Cu(II), Pd(II), Pt(II), Zn(II), Ga(III), In(III), Al(III), Sn(II), and P dipyrrinato complexes are discussed. The potential for future development in the field of (dipyrrinato)metal complexes is addressed and several new research topics are suggested throughout this work. We propose that significant advances could be made for heteroleptic bis(dipyrrinato)zinc(II) and homoleptic bis(dipyrrinato)palladium(II) complexes and their application as photosensitizers for PDT.

In this study, we once again use a set of Fibonacci-like sequences to examine the symmetries within the genetic code. This time, our focus is on the physiological state of the amino acids, considering them as charged, in contrast to our previous work where they were seen as neutral. In a pH environment around 7.4, there are four charged amino acids. We utilize the properties of our sequences to accurately describe the symmetries in the genetic code table. These include Rumer’s symmetry, the third-base symmetry and the "ideal" symmetry, along with the "supersymmetry" classification schemes. We also explore the special chemical structure of the amino acid proline, presenting two perspectives—shCherbak’s view and the Downes-Richardson view, which perspectives are included in the description of the above-mentioned symmetries. Our investigation employs also elementary modular arithmetic to precisely describe the chemical structure of proline, connecting the two views seamlessly. Finally, our Fibonacci-like sequences prove instrumental in quickly establishing the multiplet structure of non-standard versions of the genetic code. We illustrate this with an example, showcasing the efficiency of our method in unraveling the complex relationships within the genetic code.

Point defect-based single-photon emitters (SPEs) in GaN have aroused a great deal of interest due to their room-temperature operation, narrow line width and high emission rate. The room-temperature SPEs at the telecommunication bands have also been realized recently by localized defects in GaN in experiments, which are highly desired for the practical applications of SPEs in quantum communication with fiber compatibility. However, the origin and underlying mechanism of the SPEs remain unclear to date. Herein, our first-principle calculations predict and identify an intrinsic point defect NGa in GaN that owns a zero-phonon line (ZPL) at telecommunication windows. By tuning the triaxial compressive strain of the crystal structure, the ZPL of NGa can be modulated from 0.849 eV to 0.984 eV, covering the fiber telecommunication windows from the O band to the E band. Besides the ZPL, the formation energy, band structure, transition process and lifetime of the SPEs under different strains are investigated systematically. Our work gives insight into the emission mechanism of the defect SPEs in GaN and also provides effective guidance for achieving wavelength-tunable SPEs working in fiber telecommunication windows.

Although cofactor regeneration is an established system in biocatalysis, work remains in developing new and alternative cofactor regeneration systems with greater efficiency, ease of use, and higher atom economy. In addition, cofactor regeneration system only works if the cofactor regeneration reaction operates at similar kinetics compared to the biotransformation reaction. This meant that only specific cofactor regeneration system is capable of coupling with particular biotransformation reaction. This then leaves open the field for the development of a plethora of alternative cofactor regeneration systems each capable of coupling with different biotransformation reaction of different kinetics. This short write-up examines the possibility of tapping on the NADH regenerated from a two-step ethylene glycol utilization pathway. Current knowledge suggests that this angle has not been explored; thereby, opening up possibilities for future experimental investigations into the feasibility of coupling ethylene glycol utilization pathway with biotransformation reaction as a coupled cofactor regeneration system.

In this paper only one basic assumption has been made: if we try to describe black holes, their behavior should be understood in the same language as the one we use for particles; black holes should be treated just like atoms. They must be quantum forms of matter, moving in accordance with Schrödinger equations just like everything else. In particular, Rosen’s quantization approach to the gravitational collapse is applied in the simple case of a pressureless “star of dust” by finding the gravitational potential, the Schrödinger equation and the solution for the collapse’s energy levels. By applying the constraints for a Schwarzschild black hole (BH) and by using the concept of BH effective state, previously introduced by one of the authors (CC), the BH quantum gravitational potential, Schrödinger equation and the BH energy spectrum are found. Remarkably, such an energy spectrum is in agreement (in its absolute value) with the one which was conjectured by Bekenstein in 1974 and consistent with other ones in the literature. This approach also permits to find an interesting quantum representation of the Schwarzschild BH ground state at the Planck scale. Moreover, two fundamental issues about black hole quantum physics are addressed by this model: the area quantization and the singularity resolution. As regards the former, a result similar to the one obtained by Bekenstein, but with a different coefficient, has been found. About the latter, it is shown that the traditional classical singularity in the core of the Schwarzschild BH is replaced, in a full quantum treatment, by a two-particle system where the two components strongly interact with each other via a quantum gravitational potential. The two-particle system seems to be non-singular from the quantum point of view and is analogous to the hydrogen atom because it consists of a “nucleus” and an “electron”.

In this study, we demonstrate the direct preparation of dihalo-γ-lactams featuring two distinct halogens from dichloroamides using a novel Atom Exchange Radical Cyclization (AERC) procedure. This method integrates the established Atom Transfer Radical Cyclization with halogen exchange in solution. The technique operates under mild conditions and requires little amounts of metallic copper, serving as both a supplemental activator and reducing agent.

Due to increasing concerns about global warming and energy crisis, intensive efforts have been made to explore renewable and clean energy sources. Single-atom metals and two-dimensional (2D) nanomaterials have attracted extensive attention in the fields of energy and environment because of their unique electronic structures and excellent properties. In this review, we sum-marize the state-of-art progress on the single-atom metal supported at 2D MoS2 (single-atom metal/2D MoS2) for electrochemical CO2 reduction and water splitting. First, we introduce the advantages of single-atom metal/2D MoS2 catalysts in the fields of electrocatalytic CO2 reduction and water splitting, followed by the strategies for improving electrocatalytic performances of single-atom metal/2D MoS2 hybrid nanomaterials and the typical preparation methods. Further, we discuss the important applications of the nanocomposites in electrocatalytic CO2 reduction and water splitting via some typical examples, particularly focusing on their synthesis routes, modification approaches, and physiochemical mechanisms for improving their electrocatalytic performances. Finally, our perspectives on the key challenges and future directions of exploring high-performance metal single-atom catalysts are presented based on recent achievements in the development of single-atom metal/2D MoS2 hybrid nanomaterials.

By drilling periodic thru-holes in a suspended film, the phonon system can be modified. Being motivated by the BCS theory, the technique, so-called phonon engineering, was applied to a niobium sheet. The newly emergent high-T_c superconductivity, however, cannot be accounted for by the BCS theory. Rather, its exposed configuration, namely a square-lattice oxygen network, is reminiscent of the copper--oxygen plane in cuprate high-T_c superconductors. It turns out that its magnetic result is consistent with the principle of giant atom, which was developed by another heroes of superconductivity, Fritz London and John Slater, in the 1930s, several decades earlier than the propagation of BCS theory. The superconducting transition feature is discussed on the basis of a comprehensive theory of the giant atom---the theory of hole superconductivity.

Fostering fruitful collaboration between chemistry and physics scholars, the analysis of the differences in the practical approach to single atoms in chemistry and in physics affords a number of conceptual outcomes pointing to a more balanced relationship between chemistry and physics.

A series of polyacrylonitrile (PAN)-based block copolymers with poly(methyl methacrylate) (PMMA) as sacrificial bock were synthesized by atom transfer radical polymerization and used as precursors for the synthesis of porous carbons. The carbons enriched with O- and S-containing groups, introduced by controlled oxidation and sulphuration, respectively, were characterized by Raman spectroscopy, scanning electron microscopy, and X-ray photoelectron spectrometry, and their surface textural properties were measured by a volumetric analyzer. We observed that the presence of sulphur tends to modify the structure of the carbons, from microporous to mesoporous, while the use of copolymers with a range of molar composition PAN/PMMA between 10/90 to 47/53 allows the obtainment of carbons with different degrees of porosity. The amount of sacrificial block only affects the morphology of carbons stabilized in oxygen, inducing their nanostructuration, but has not effect on their chemical composition. We also demonstrated their suitability for separating a typical N2/CO2 post-combustion stream.

In this work, the use of graphite-like carbon nitride (g-C3N4) with improved texture characteristics for the synthesis of supported palladium catalysts of dehydrogenation of nitrogen-containing heterocycles was studied. This process is key to the creation of liquid organic carrier technology (LOHC) using N-heterocycles as reversibly hydrogenated/dehydrogenated substrates. For the preparation of g-C3N4-mca supports with advanced textural characteristics, well-established technology of the melamine cyanurate complex carbonization and standard techniques of adsorption precipitation together with wet impregnation were used for the synthesis of Pd-containing systems. The activity of the synthesized catalysts was studied in decahydroquinoline dehydrogenation. The high weight content of extractable hydrogen (7.2 wt %) and the high extraction rate, respectively, make it possible to consider these substances as the most promising N-heterocyclic compounds for this technology. It was shown that an increase in the specific surface area of g-C3N4 allows for achieving a slightly lower, but comparable fineness of palladium particles for the 1 wt% Pd/MCA-500 sample, compared to the standard 1 wt% Pd/C. In this case, the catalytic activity of 1 wt% Pd/MCA-500 in dehydrogenation of both substrates exceeded the analogous parameter for catalysts supported by nitrogen free supports. This regularity is presumably associated with the electron-donor effect of surface nitrogen, which favorably affects the dehydrogenation rate as well as the stability of catalytic systems.

Maxwell's electric equation and Schrödinger quantum equation are used to find useful expressions for the probability of electrons existence and the electrons transport. The first expression which uses special relatively also shows that the probability of the electrons existence is higher for lower energy states compared to higher energy states where the probability is low. This means that electrons transport takes place from higher energy states to lower states. This conforms to the laws of chemistry where the atom tends to be stable by forcing electrons to occupy lower energy states. The second expression used the momentum velocity relation instead of special relatively. This expression shows also electrons transport from higher to lower states. It also shows that the probability of the electrons existence is higher for lower electrons density regions and lower for higher electrons density regions. This means that the electrons transport is from higher density regions to lower density regions. This conforms to the diffusion law.

The real implementation of biogas reforming at industrial scale to obtain interesting products, like hydrogen or syngas, is a developing research field where multidisciplinary teams are continuously adding improvements and innovative technologies. Thus, these works can contribute to the proliferation of green technologies where circular economy and sustainability are present. To assess the sustainability of these processes, there are different tools like life cycle assessment (LCA), which implies a complete procedure where even small details count to consider a certain technology sustainable or not. The aim of this work was to review works where LCA is applied to different aspects of biogas reforming, especially focusing on the role of catalysts, which are essential to improve the efficiency of a certain process, but also present a strong influence on its environmental impact. As a conclusion, catalysts have an influence on LCA through the improvement on the catalytic performance and the impact of their production, whereas other aspects related to biogas or methane reforming could equally influence on their durability or reusability, with the subsequent effect on LCA. Further research about this subject is required in a continuously changing technology with plenty of possibilities.

In this work, we present a new way to study the genetic code mathematical and chemical structure, based on the use of mathematical computations involving some few recently designed Fibonacci-like sequences, the “seeds” (“initial conditions”) of which are chosen according to the chemical and physical data of the three amino acids serine, arginine and leucine, playing a prominent role in a recent symmetry classification scheme of the genetic code. It appears that these mathematical sequences, of the same kind as the famous Fibonacci series, apart from their usual recurrence relations, are highly interwinned by many useful linear relationships. Using these sequences and also various sums or linear combinations of them, we derive several physical and chemical quantities of interest, as the number of total coding codons, 61, obeying various degeneracy patterns, the detailed number of hydrogen atoms, the detailed number of atoms (H/CNOS) and the integer molecular mass (or nucleon number), in the side chains of the 61 “amino acids”, also in various degeneracy patterns, in agreement with those described in the literature. Also, unexpectedly but interestingly, we find, as a by-product, an accurate description of the very chemical structure of the four ribonucleotides uridine monophosphate (UMP), cytidine monophosphate (CMP), adenosine monophosphate (AMP) and guanosine monophosphate (GMP), the building blocks of RNA whose groupings, in three units, constitutes the triplet codons. In summary, we find a full mathematical and chemical connection with the “ideal sextet’s classification scheme” mentioned above as well as with several others, notably, the Findley-Findley-McGlynn symmetrical classification. We organize the content of the text in such a way that, besides the presentation of several new research results, it has also an educational dimension. The paper could therefore be read and the computations easily worked out, also by non-experts with mathematical background.

Charge-dipole interactions are very common interactions among atoms and molecules, especially materials that can emit light or contain free charges. The second-order charge-dipole interactions, proportional to $\frac{1}{R^4}$, are stronger than the second-order dipole-dipole interactions or van der Waals interactions, proportional to $\frac{1}{R^6}$, at longer distances. In reality, there is more than one atom or charge; therefore, we focus on few-body charge-dipole interactions, such as charge-dipole-dipole interactions. Laser cooling and trapping allow us to study such interactions with much higher precision. In this article, charge-dipole interactions will be investigated in ultracold gases. To increase the interaction strength, we excite the ultracold atoms to highly excited states, Rydberg states. Here, we treat one Rydberg atom as a dipole, the excited electron and the ion core are the two poles of an electric dipole. Specifically, we study charge-atom interactions in ultracold Rydberg gases.

Microalloying of low carbon steel with niobium (Nb) and titanium (Ti) is standardly applied in high-strength low-alloy (HSLA) steels enabling austenite conditioning during thermo-mechanical controlled processing (TMCP), which results in pronounced grain refinement in the finished steel. The metallurgical effects of microalloying elements are related solute drag and precipitate particle pinning, both acting on the austenite grain boundary thereby delaying or suppressing recrystallization of the deformed grain. In that respect it is important to better understand the precipitation kinetics as well as the precipitation sequence in a typical Nb-Ti-microalloyed steel. Various characterization methods have been utilized in this study for tracing microalloy precipitation after simulating different austenite TMCP conditions in a Gleeble apparatus. Atom probe tomography (APT), scanning transmission electron microscopy in a focused ion beam equipped scanning electron microscope (STEM-on-FIB) and electrical resistivity measurements provide complementary information on the precipitation status and are correlated with each other. It will be demonstrated that accurate electrical resistivity measurements can monitor the general consumption of solute microalloys (Nb) during hot working which was complemented by APT measurements of the steel matrix. On the other hand, STEM revealed that a large part of Nb-containing particles during hot working are co-precipitated with titanium during cooling from the austenitizing temperature. Precipitates that form during cooling or isothermal holding can be distinguished from strain-induced precipitates by corroborating STEM measurements with APT results. APT specifically allows obtaining detailed information about the chemical composition of precipitates as well as the distribution of elements inside the particle. Electrical resistivity measurement, on the contrary, provides macroscopic information on the progress of precipitation and can be calibrated by APT. The current paper highlights the complementarity of these methods and shows first results within the framework of a larger study on strain-induced precipitation.

Nanoparticles of platinum-group metals (PGM) on carbon supports are widely used as catalysts for a number of chemical and electrochemical conversions on laboratory and industrial scale. The newly emerging field of single atom catalysis focuses on the ultimate level of metal dispersion, i.e. atomically dispersed metal species anchored on the substrate surface. However, the presence of single atoms in traditional nanoparticle-based catalysts remains largely overlooked. In this work we use aberration-corrected scanning transmission electron microscope to investigate four commercially available nanoparticle-based PGM/C catalysts (PGM = Ru, Rh, Pd, Pt). We show that in addition to nanoparticles, single atoms are also present on the surface of carbon substrates. These observations raise questions about the role that single atoms play in conventional nanoparticle PGM/C catalysts. We critically discuss the observations with regard to the quickly developing field of single atom catalysis.

The rate constants of elementary processes in the atom-diatom system O(³P)+H₂(v), including the processes of vibrational relaxation and dissociation, were studied using the quasi-classical trajectory method. All calculations were carried out along the ground potential energy surface (PES) ³A′′ that was approximated by a neural network. Approximation data were obtained using ab initio quantum chemistry methods at the extended multi-configuration quasi-degenerate second-order perturbation theory XMCQDPT2 in a basis set limit. The calculated cross sections of the reaction channels are in good agreement with the literature data. A complete set of state-to-state rate constants was obtained for the metathesis reaction, the dissociation and VT relaxation of the H₂ molecule upon collision with an O atom. According to this data Arrhenius approximations over a wide temperature range were obtained for the thermal rate constants of considered processes. Data obtained on the dissociation constants and VT relaxation of vibrationally excited H₂ molecules can be used in constructing kinetic models describing the oxidation of hydrogen at high temperatures or highly nonequilibrium conditions.

The 32CA reactions of a series of pairs of bent three-atom-components (B-TACs) and linear TACs (L-TACs) towards electrophilic dicyanoethylene (DCE) have been studied within the Molecular Electron Density Theory in order to understand their different reactivity. ELF analysis indicates that while pseudodiradical B-TACs change their electronic structure to pseudoradical or carbenoid L-TACs upon dehydrogenation, zwitterionic B-TACs experience no remarkable change. Analysis of the CDFT indices indicates that five of the nine studied TACs have a strong nucleophilic character, thus participating in polar reactions towards electrophilic ethylenes. The activation energies of the 32CA reactions of the nine TACs towards electrophilic DCE range from 0.6 to 22.0 kcal·mol-1, which are by between 2.0 and 10.1 kcal·mol-1 lower than those involved in the non-polar 32CA reactions with ethylene. In general, B-TACs are more reactive than their L-TAC counterparts. A change of the regioselectivity is found in these polar 32CA reactions; in general, while B-TACs are meta regioselective, L-TACs are ortho regioselective. Analysis of the geometrical parameters indicates that at all TSs, the formation of the single bond involving the most electrophilic C4 carbon of DCE is more advanced than that involving the C5 one. A change of the asynchronicity in the reactions involving B-TACs and L-TACs is also found.

This is a review on social laser theory completed with its new developments and applications. An important methodological step towards similarity with quantum physics is the invention and consistent operation with infons. These are excitations of the quantum social-information field carrying social energy and coarse grained content of communications (their color and quasi-color). We study in more detail interactions of infons with social atoms, the processes of absorption and emission (spontaneous and stimulated). We also analyze the dynamics of iterations of the cascades of infons in the social resonators. The latter are based on social networks coupled to laser's gain medium composed of social atoms. Consideration of the pro-war and pro-peace beams leads to the general discussion on the competing beams of social radiation and the conditions for their creation and coexistence. The role of social networks in lasing is illustrated by the protests during the COVID-19 pandemic. It is highlighted that a human gain medium can approach the state of population inversion with supply of infons of one sort (quasi-color), but the stimulated emission can be induced by injection into the gain medium of infons of a different quasi-color. We call this behavior of social atoms memorylessness. This theoretical property is illustrated with the examples from the modern social-political life.

A review is here provided about the thermal effects on the optical chirality. To this goal, chiral objects dispersed in an embedding fluid are examined for their magnetoelectric coupling. Thermal effects on several chiral meta-atoms and their ensembles are examined. To this goal, DNA-like helical structures are examined in detail. Mechanical aspect of thermo-elasticity is reviewed along with transverse deformations, while drawing analogies from condensed-matter physics. In this respect, chirality-induced spin selection is reviewed along with the temperature-mediated elec-tron-phonon interactions. A wide range of materials such as polymers and biological cells are also examined for temperature effects. A transition temperature delineating a sign flip in the chirality parameter is identified as well. Chirality-associated functionalities such as ratchet motions, switching, and modulations are investigated for their respective thermal effects. Issues of fabri-cating chiral meta-atoms are also discussed.

A review is here provided on the thermal effects on the optical chirality. To this goal, chiral objects dispersed in an embedding fluid are examined for their magnetoelectric coupling. Archetypal twisted-Omega particles are examined with respect to electron transport, phonon dynamics, and temperature effects. Continuum-mechanical aspect of thermo-elasticity is reviewed along with transverse deformations. A transition temperature delineating a sign flip in the chirality parameter is identified as well.

During the last years our society was permanently disturbed by the coherent information waves of high amplitudes. These are waves of huge social energy. Often they are of the destructive character, a kind of information tsunami. But, they can carry as well positive improvements in the human society, as waves of decision making matching rational recommendations of societal institutes. The main distinguishing features of these waves are their high amplitude, coherence (homogeneous character of social actions generated by them), and short time needed for their generation and relaxation. We show that such social phenomenon can be modeled on the basis of the recently developed social laser theory. This theory can be used to model stimulated amplification of coherent social actions. ``Actions'' are treated very generally, from mass protests to votes and other collective decisions, as, e.g., acceptance (often unconscious) of some societal recommendations. We point to the main distinguishing features of the modern society simplifying social lasing: a) transformation of humans into social atoms - lost of individuality; b) generation by mass-media of powerful information fields leading to information overload of social atoms; c) creation of powerful social resonators based on internet Echo Chambers. In this paper, we analyze in very detail their functioning leading to increasing of the power fo the quantum information field as well as its coherence.