The coordination chemistry of N-heterocyclic carbenes (NHCs) with Group 1 metals remains comparatively underdeveloped relative to their extensive application across the periodic table. Herein, we describe the synthesis of rubidium and caesium complexes incorporating a fluorenyl-tethered NHC ligand. Additionally, the first heterobimetallic Cs/Li NHC complex was obtained via treatment with a combination of alkali metal amide bases.

Noble gases remain a paramount notion of stability, guiding chemistry across the periodic table. In this letter, we describe the through-space magnetic behavior of noble gases from He to Rn, indicating an increasing averaged shielding region, which leads to long-range shielding with a complementary deshielding region under specific orientations of the external field, as a consequence of the electronic shell closure at the end of each period. Such behavior resembles the shielding cone, inherent to planar and spherical aromatic species, and suggests a fundamental origin of this behavior.

Integrated assessment of the effects of PFOA exposure on hepatic transcriptome and lipid profiles in mice expressing human PPARα.

The association of environmental toxicants exposure with cardiovascular disease risk: A comprehensive analysis from population to molecular mechanism.

STO-kG type (linear combination of k Gaussians) basis functions for 1s to 4f Hydrogen-like orbitals by ‘energy fit’ are reported as simple functions of the atomic number Z and quantum numbers to utilize in molecular electronic structure calculations. We analyze how they reproduce the one-electron atomic wave function shapes and energy values (-Z2/(2n2)) as an obvious primary claim along with reproducing the nodes exactly. The literature STO-kG yields a huge number of tables for different atoms in the periodic table; in contrast, our sets contain Z as a parameter yielding a compact list. A ‘variation-like’ property is also discussed for excited states (2s and up). The optimizations have been done by using least squares fits via the Lagrange multiplier method for energy with a constraint for normalization. All these STO-kG basis functions are normalized exactly to one in our tables. The general problem of STO-kG(3 and 4du^2) and STO-kG(4fu^3 and 4fuv^2) basis functions among the six technical 3duv as well as the ten technical 4f used in practice is commented on. In relation and comparison, the Gaussian package STO-kG basis set is commented on.

Mancozeb, belongs to the Ethylene-Bis-Dithio Carbamates (EBDCs) family of chemicals that are used in agricultural fields. It is harmful to the environment as it can percolate into the soil and contaminate the water, thereby causing the death of marine animals. The objective of the study was to evaluate the impact of mancozeb exposure on behaviour, haematological, biochemical, and histopathological parameters in Catla, a freshwater fish. Additionally, in-silico docking studies were conducted to enhance the understanding derived from experimental outcomes. Ten C. catla fish were chosen to study the behavioural changes at different concentrations of mancozeb (5, 10, 15, 20 and 25mg/l) at 24, 48, 72 and 96 hours of exposure. At 24-48 hours, the C. catla fish had greater mucous production and hyper-excitability, and at 72-96 hours, severe loss of equilibrium was observed. The Lethal Concentration (LC50) of mancozeb at 96 hours was found to be 15mg/l. Three fish tanks were chosen: tank I with ten C. catla fish as the control group, tank II had 6mg per litre of mancozeb and ten fish, and tank III with 12mg per litre of mancozeb and ten fish. At 96 hours of exposure, the red blood cells, proteins and lipids decreased, while the platelets increased when exposed to higher concentrations of mancozeb. Histopathology of fish in Tank III revealed distortion and rupture of gill filaments, muscles and adipose tissue alterations as against the control. Docking studies highlighted inhibitory activity towards cytochrome P450, collagen 2A, acetylcholine, cytochrome C oxidase, and haemoglobin subunit A. Mancozeb significantly impacted the physiological activity of C. catla, suggesting the need for careful monitoring and regulation of mancozeb use to mitigate potential ecological and public health consequences. Major Findings: This research work identified the deleterious effects of mancozeb in C. catla in terms of behavioural, biochemical and histopathological changes. LC50 at 96 hours was 15 mg/L, and this was critical toxicity data. In-silico docking depicted that mancozeb had the potential to inhibit essential physiological proteins, providing an insight into its toxicity. The results indicate the ecological hazards of mancozeb exposures in water bodies, which can lead to potential health hazards to humans.

Fluorine is a highly reactive non-metal and the lightest member of the halogen group. It is the most electronegative element in the periodic table, which explains its strong ability to form compounds with almost all other elements. Fluorine is a pale yellow gas at room temperature and does not occur freely in nature. It is found only in stable compounds due to its extreme reactivity. Despite dangerous properties, fluorine and its compounds are widely used in everyday life, including toothpaste, medicine, and medical imaging. Its unique physical and chemical characteristics make fluorine an important element in both science and modern technology.

Kaonic atoms, formed when a negatively charged kaon replaces an electron, provide a unique laboratory to test fundamental interactions at low energies. EXKALIBUR (EXtensive Kaonic Atoms research: from LIthium and Beryllium to URanium) is a program to perform systematic, high-precision X-ray spectroscopy of selected kaonic atoms across the periodic table at the DAФNE accelerator at the National Laboratory of Frascati. Here, we outline its detector-driven strategy: silicon drift detectors for 10–40 keV transitions in light targets (Li, Be, B, O), CdZnTe detectors for 40–300 keV lines in intermediate-Z systems (Mg, Al, Si, S), and a high-purity germanium detector for high-Z atoms (Se, Zr, Ta, Mo, W, Pb), complemented by VOXES, a high-resolution crystal spectrometer for sub eV studies. EXKALIBUR plans to (i) reduce the charged-kaon mass uncertainty below 10 keV, (ii) produce a database of nuclear shifts and widths to constrain multi-nucleon K--nucleus interactions models, and (iii) provide precision data for testing bound-state quantum electrodynamics in strong fields. We summarize the planned measurements and expected sensitivities within DAФNE luminosities.

The Giant 3D Periodic Table: A Community-Built, Interdisciplinary Model for Chemical Education and Public Engagement

Aside from languages having no form of written expression, it is usually the case with every language on this planet that texts are written in a single character. But every rule has its exceptions. A very rare exception is Japanese, the texts of which are written in the three kinds of characters. In European languages, no one can find a text written in a mixture of the Latin, Cyrillic, and Greek alphabets. For several Japanese texts currently available, we conduct a quantitative analysis of how the three characters are mixed using a methodology based on a binary pattern approach to the sequence that has been generated by a procedure. Specifically, we consider two different texts in the former and present constitutions as well as a famous American story that has been translated at least 13 times into Japanese. For the latter, a comparison is made among the human translations and four machine translations by DeepL and Google Translate. As metrics of divergence and diversity, the Hellinger distance, chi-square value, normalized Shannon entropy, and Simpson’s diversity index are employed. Numerical results suggest that in terms of the entropy, the 17 translations consist of three clusters, and that overall, the machine-translated texts exhibit entropy higher than the human translations. The finding suggests that the present method can provide a tool useful for stylometry and author attribution. Finally, through comparison with the diversity index, capabilities of the entropic measure are confirmed. Lastly, in addition to the abovementioned texts, applicability to the Japanese version of the periodic table of elements is investigated.

ConspectusAccurate equilibrium geometries are fundamental to predictive spectroscopy, reliable thermochemistry, and rational molecular design. Yet achieving high accuracy beyond small molecules remains a formidable challenge. High-level wave function methods, while exceptionally accurate, are computationally prohibitive for systems containing dozens of atoms. Density functional approaches, though efficient, often lack consistent reliability across diverse chemical environments. Though reduced-scaling strategies have enabled precise energy calculations for large systems, equivalent progress in the determination of equilibrium structures has been slower, leaving a persistent gap between the predictive accuracy and computational feasibility.This Account presents an integrated framework that tries to bridge this gap by combining composite quantum-chemical methods, data-driven corrections and fragment-based modeling. At its core lie explicitly correlated composite schemes capable of delivering mÅ/mrad accuracy (usually referred to as spectroscopic accuracy) for the geometrical parameters of molecules with up to about 20 atoms. These methods underpin the construction of a benchmark-quality geometry library (LCB25), comprising nearly 400 fragments encompassing all major functional groups and ring systems relevant to chemical, biological and pharmaceutical applications.Building on this reference, systematic bond-based corrections derived from LCB25 transfer spectroscopic-level accuracy to more affordable double-hybrid and hybrid functionals. Linear regressions suffice for double-hybrid models, while machine-learning Δ-corrections extend the same accuracy to hybrid functionals. Together, these refinements lead to geometries of near-spectroscopic accuracy for medium and large molecules (50-100 atoms) at a fraction of the cost of high-level composite methods. For larger architectures, the Nano-LEGO platform automates the assembly of accurate molecular geometries from preoptimized fragments, preserving the local structural fidelity within complex frameworks.Within this modular and hierarchical approach, continuous chemically meaningful descriptors known as synthons serve as the common language linking fragment-based modeling, data-driven corrections, and machine-learning predictions. This representation facilitates the transfer of local structural information across chemical families and supports the exploration of vast regions of chemical space with controlled accuracy.The same principles extend naturally to the design of functional and sustainable materials. Spectroscopically accurate yet affordable structural predictions are instrumental in the rational development of organocatalysts, molecular components for optoelectronic devices and supramolecular frameworks for applications aligned with the goals of circular economy.These methodological advances are complemented by efficient optimization algorithms, vibrational corrections based on second-order vibrational perturbation theory, and fully interoperable workflows that ensure scalability and robustness. Collectively, they establish a hierarchical data-enriched ecosystem delivering accurate, transferable, and cost-effective molecular geometries. Applications range from atmospheric and astrochemical intermediates to biomolecules, pharmaceuticals, and sustainable molecular materials, paving the way for predictive spectroscopy and structure-based design. All components of this framework are openly available through web platforms and GitHub, promoting transparency, accessibility, and community development.

Rationale:Confetti-like leukoderma is an uncommon and intriguing hypopigmentary presentation typically associated with systemic illnesses, dermatologic disorders, or adverse reactions to therapies. Its idiopathic form is extremely rare, making such cases clinically significant and worthy of documentation.Patient concerns:A 17-year-old male presented with multiple, bilateral, symmetrical hypopigmented macules measuring 1 to 3 mm, diffusely distributed over the trunk, extremities, neck, forehead, and dorsum of the hands. He denied chemical exposures, systemic symptoms, photosensitivity, or family history of similar lesions.Diagnoses:Clinical examination and laboratory studies, including complete blood count, autoimmune markers, arsenic levels, and imaging, were normal. Differential diagnoses considered included systemic sclerosis, arsenicosis, and other hypopigmentary disorders. Histopathology showed scattered melanocytes, pigment incontinence, melanophages, and mild perivascular lymphocytic infiltrate, confirming idiopathic confetti-like leukoderma.Interventions:No therapeutic intervention was initiated. Diagnosis was established after careful exclusion of secondary causes through clinical, laboratory, and histopathological correlation.Outcomes:The patient remained clinically stable, and no progression or systemic involvement was noted. The condition was recognized as an isolated idiopathic entity with no immediate need for treatment.Lessons:This case highlights idiopathic confetti-like leukoderma as a rare but distinct clinical diagnosis. Comprehensive evaluation, exclusion of systemic associations, and histopathologic confirmation are essential. As only a handful of such idiopathic cases have been reported, further recognition and documentation are necessary to better understand this presentation.

Re-exploring the nucleus using early experiments and data reveals that the helium nuclei within the nucleus exhibit a 1/4/9 spherical structure, closely related to the electrons outside the nucleus; employing logical thinking and ingenious solutions to the magic number rule, the mysteries within the nucleus are unveiled; the principles of nuclear decay, fission, and the source of nuclear energy are deciphered. The atomic nucleus is extremely small, and how it is constituted and structured remains a scientific mystery. This study focuses on the α-rays (helium nuclei) within the nucleus and the atomic weights of magic number elements, which are all multiples of n4. It has been discovered that protons and electrons within the nucleus first combine to form a microstructure—where two electrons rapidly rotate around four protons, forming a tetrahedral helium nucleus. This structure then combines to form the most stable magic number nuclei. The decay and fission of atomic nuclei are due to the presence of neutrons and double neutrons within the nucleus, which are unstable microstructures. This study has discovered that, apart from hydrogen atoms, all atomic nuclei are centered around a helium nucleus tetrahedron, extending and connecting to the helium nuclei in the spaces of the four faces, forming a layered surrounding structure of 1/4, 9… of the helium nucleus, revealing the intrinsic organic composition of the atomic nucleus. A helium nucleus can attract two extranuclear electrons, which precisely corresponds to the energy level arrangement of extranuclear electrons 2/8/18…, establishing a concentric, multi-layered spherical nuclear structure model that links the inside and outside of the nucleus, and can also create the “Nuclear Structure Periodic Table.” Using microstructures and their core models, it is possible to reasonably explain the experimental data of magic numbers and the results of radioactive experiments, verify the internal and external connections of the nuclear structure model, and also interpret the reasons for the vast differences in the half-lives of various isotopes. It has been discovered that the process of nuclear fission and the enormous nuclear energy originate from the kinetic energy of the high-speed rotation of massive microstructures within the nucleus, not from the mass‐energy formula.

The biological effects of engineered nanomaterials are largely determined by their intrinsic physicochemical properties; however, predicting these effects across materials with different core compositions remains a significant challenge. In this study, we developed an interpretable machine learning framework to enable cross-material nanotoxicity prediction using descriptors based on the periodic table. A curated data set comprising 1206 entries of metal oxide nanoparticles with cytotoxicity endpoints was constructed from high-quality literature sources. We evaluated multiple machine learning models to systematically analyze their performance using both within-material and cross-material validation strategies. Initial models based solely on experimental conditions and global nanomaterial properties showed high accuracy in within-material prediction but failed to generalize to unseen materials. To overcome this limitation, we introduced elemental-level descriptors, including electronegativity, ionization energy, atomic radius, and oxidation state. Incorporating these fundamental features significantly improved cross-material prediction performance, with coefficient of determination (R2) values from approximately 0.35 to 0.65 for unseen nanomaterials such as CuO, ZnO, MgO, and Cu2O. Further experimental validation using NiO and Cr2O3 nanoparticles on A549 and HUVEC cell lines confirmed the reliability of model predictions and highlighted material- and cell-type-specific toxic responses. Model interpretation and oxidative stress assay provided mechanistic insights into the cytotoxicity induced by the metal oxide nanoparticles. This study demonstrates the feasibility of cross-material toxicity prediction and establishes a scalable and interpretable computational framework for safer nanomaterial design and risk assessment.

Our previous study demonstrated that thiophene-substituted synthetic curcumin analogs possessed better antibacterial activity and stability than natural curcumin, demethoxycurcumin, or bisdemethoxycurcumin in antibacterial photodynamic therapy (aPDT). In addition, the activity of the furan-substituted analogs was weaker than that of the thiophene-substituted compounds. As oxygen, sulfur, and selenium belong to the same group in the periodic table, the antibacterial and anticancer activities of these three different elemental analogs were compared and investigated. The thiophene-substituted analog (compound 3) exhibited the most potent antibacterial activity in aPDT experiments. However, the furan-substituted analog (compound 1) exhibited the most potent anticancer activity. These results indicate that the differences in atomic radii or energy levels in these compounds produce different cell-attack results on generated free radicals. Ruthenium(II) complexes have a good reputation for use in PDT for cancer treatment. Our results show that complexation of ruthenium(II) with thiophene-substituted curcumin analogs does not enhance their antibacterial or anticancer activity.

The formation of a class of alkaline coordination nitrates of lanthanides was established by complex systems studies of the interaction of structural components in nitrate systems of rare earth elements and elements of groups IA and IIA of the Periodic Table - precursors of modern multicomponent oxide polyfunctional materials. All of them are synthesized in single crystal form. Their composition, atomic-crystalline structure, forms of coordination of polynuclear Ln, types of the ligand coordination and a number of their properties were studied using a set of physico-chemical methods: chemical, X-ray diffraction, IR spectroscopy, crystallo-optical, thermographic, the generation of the second harmonic of laser irradiation. Obtained new crystallochemical regularities of the structure of Ln compounds deepen the understanding of the chemical and physical properties, their composing ability. The obtained data can serve as the basis for detection, identifying, controlling the formed phases in innovative technologies using nitrate precursors of elements of different electronic structures.

Conceptions of fallacies suggested by philosophers vary significantly. Often these contributions are little more than lists, only sometimes approaching a fully-developed theory of fallacy. Where there is a clear understanding of what is meant by the term fallacy, the problem of how to identify them in discourse remains, often leading to a conflation of descriptive and evaluative analyses. We present a two-tier procedure that strictly distinguishes the descriptive and normative dimensions of identifying fallacies. The combination of the descriptive Argument Type Identification Procedure (ATIP), which enables the characterization of an argument in terms of the Periodic Table of Arguments (PTA), and the evaluative Comprehensive Assessment Procedure for Natural Argumentation (CAPNA), provides a basis for systematic, repeatable, and explainable argument acceptability judgements. We explain how this two-tier procedure overcomes some of the difficulties of fallacy identification and categorization and list several other advantages that a procedural approach to fallacies brings.

Since Linus Pauling developed the concept of electronegativity, various heuristic models have been developed to estimate the capability of chemical elements to form stable compounds. All these models including well-known Miedema's models were believed to be applicable to particular classes of compounds and to require substantial increase of complexity to be applied more generally. Here we demonstrate that basic chemical trends in stability of all possible binary systems are well described by a simple chemical model where each element is characterized by just two numbers - electronegativity X and chemical mismatch parameter Y. These parameters were determined for the elements from a large number of theoretical enthalpies of formation, and were found to display strong periodicity and to correlate with Pauling's electronegativity and valence electron density. The proposed two-parameter chemical model explains a number of anomalies found in chemical behavior of elements. In particular, it shows why active electropositive alkali and alkaline earth metals do not react with most elements, in contrast to inert noble metals (which do form stable binary compounds with most elements).

Large language models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step‐wise reasoning through the processing–structure–property–performance (PSPP) chain of materials science and engineering. Current LLMs are built for adequately representing a dataset, which consists of a significant subset of the accessible internet. However, the internet mostly contains nonscientific content. If LLMs should be applied for engineering purposes, it is valuable to investigate models for their intrinsic knowledge: the capacity to generate correct information about materials. In the current work, for the example of the Periodic Table of Elements, the role of vocabulary and tokenization for the uniqueness of material fingerprints and the LLMs’ capabilities of generating factually correct output of different state‐of‐the‐art open models are highlighted. This leads to a material knowledge benchmark for an informed choice, for which steps in the PSPP chain LLMs can be applied and where specialized models are required.

We include spin-orbit coupling (SOC) effects in linearized pair-density functional theory (L-PDFT), which is a multistate extension of multiconfiguration pair-density functional theory (MC-PDFT). Both 1-electron and 2-electron SOC integrals are computed using Breit-Pauli and Douglas-Kroll-Hess Hamiltonians in the atomic mean-field approximation. SO-L-PDFT removes the unphysical J-symmetry breaking observed in MC-PDFT. The accuracy of SO-L-PDFT is validated by calculations of zero-field splittings, fine-structure excitation energies, and low-energy excited-state spectra for a diverse group of atoms and molecules spanning the whole range of the periodic table, including atoms of groups 3, 11, and 13-17, the Ce3+ and U5+ ions, group 16 monohydrides, group 17 monoxides, lanthanide hexachlorides (, , and ), actinyl ions (, ), and tricarbonatoactinyl complexes (, ). We also compare the results to new spin-orbit-inclusive calculations by single-state and multistate multireference perturbation theory.