More than a half century ago it became feasible to simulate, using classical-mechanical equations of motion, the dynamics of molecular systems on a computer. Since then classical-physical molecular simulation has become an integral part of chemical research. It is widely applied in a variety of branches of chemistry and has significantly contributed to the development of chemical knowledge. It offers understanding and interpretation of experimental results, semiquantitative predictions for measurable and nonmeasurable properties of substances, and allows the calculation of properties of molecular systems under conditions that are experimentally inaccessible. Yet, molecular simulation is built on a number of assumptions, approximations, and simplifications which limit its range of applicability and its accuracy. These concern the potential-energy function used, adequate sampling of the vast statistical-mechanical configurational space of a molecular system and the methods used to compute particular properties of chemical systems from statistical-mechanical ensembles. During the past half century various methodological ideas to improve the efficiency and accuracy of classical-physical molecular simulation have been proposed, investigated, evaluated, implemented in general simulation software or were abandoned. The latter because of fundamental flaws or, while being physically sound, computational inefficiency. Some of these methodological ideas are briefly reviewed and the most effective methods are highlighted. Limitations of classical-physical simulation are discussed and perspectives are sketched.

It is expected that composites made of carbon nanotubes (CNT) and copper (Cu) display both mechanical and electrical properties, but the low damage dispersion and high-quality composite of high-content CNTs have always been research difficulties. In this paper, high-content CNTs/Cu composites were prepared. The effects of the sintering method, sintering temperature, directional rolling and the CNTs\' content on the relative density, hardness and electrical conductivity of the composites were studied. The uniform dispersion of high-content CNTs in Cu matrix was achieved by ball milling, sintering and rolling, and the processes did not cause more damage to the CNTs. The properties of composites prepared by spark plasma sintering (SPS) and vacuum hot pressing sintering (HPS) were compared, and the optimum process parameters of SPS were determined. When the CNTs\' content is 2 wt.%, the hardness is 134.9 HBW, which is still 2.3 times that of pure Cu, and the conductivity is the highest, reaching 78.4%IACS. This study provides an important reference for the high-quality preparation and performance evaluation of high-content CNTs/Cu composites.

As an important gelling material, cementitious materials are widely used in civil engineering construction. Currently, research on these materials is conducted using experimental and numerical image processing methods, which enable the observation and analysis of structural changes and mechanical properties. These methods are instrumental in designing cementitious materials with specific performance criteria, despite their resource-intensive nature. The material genome approach represents a novel trend in material research and development. The establishment of a material gene database facilitates the rapid and precise determination of relationships between characteristic genes and performance, enabling the bidirectional design of cementitious materials\' composition and properties. This paper reviews the characteristic genes of cementitious materials from nano-, micro-, and macro-scale perspectives. It summarizes the characteristic genes, analyzes expression parameters at various scales, and concludes regarding their relationship to mechanical properties. On the nanoscale, calcium hydrated silicate (C-S-H) is identified as the most important characteristic gene, with the calcium-silicon ratio being the key parameter describing its structure. On the microscale, the pore structure and bubble system are key characteristics, with parameters such as porosity, pore size distribution, pore shape, air content, and the bubble spacing coefficient directly affecting properties like frost resistance, permeability, and compressive strength. On the macroscale, the aggregate emerges as the most important component of cementitious materials. Its shape, angularity, surface texture (grain), crushing index, and water absorption are the main characteristics influencing properties such as chloride ion penetration resistance, viscosity, fluidity, and strength. By analyzing and mapping the relationship between these genes and properties across different scales, this paper offers new insights and establishes a reference framework for the targeted design of cementitious material properties.

In this study, maize starch (A-type) and potato starch (B-type) were treated with ultrahigh magnetic fields (UMF) of different intensities (5 T and 15 T) to investigate their sensitivity to UMF by measuring changes in their structure and rheological properties. The results indicate that the crystallinity of A-type starch significantly decreases, reaching a minimum of 20.01 % at 5 T. In contrast, the crystallinity of B-type starch significantly increases, peaking at 21.17 % at 15 T, accompanied by a brighter polarized cross and a more perfect crystal structure. Additionally, B-type starch exhibited a significant increase in double helix content (from 32.67 % to 42.07 %), branching degree (from 1.96 % to 3.84 %), and R1022/995 (from 0.803 to 0.519), compared to A-type starch. B-type starch also showed a greater propensity for cross-linking reactions forming OCOR groups (from 0 % to 6.81 %), and its enthalpy change (∆H) increased substantially (from 19.28 J/g to 31.70 J/g), indicating a marked enhancement in thermal stability. Furthermore, the average hydrodynamic radius (Rh) decreased more for B-type starch, reflecting an increase in gel strength. These findings demonstrate that B-type starch is more sensitive to UMF than A-type starch. This study provides foundational data on the effects of UMF treatment on different crystalline starches, aiming to explore its potential applications in food and industrial fields.

To overcome the problem of Cr2O3 and Al2O3 inclusions in CuCr50 alloy prepared by aluminothermic reduction method, in this paper, a novel methodology for strengthening metal-slag separation through in situ slagging is proposed. CuCr50 alloys were prepared by metallothermic reduction using Al and Al-Mg as reducing agents, and the physical properties of the slag, such as viscosity, density, and surface tension, were adjusted by controlling the proportion of CaO in the slagging agent in the raw material to achieve good separation of the slag-metal. The results show that with the ratio of CaO increased, CaO and MgO were coupled to make slag, which combined with Cr2O3 and Al2O3 to form CaCr2O4, MgCr2O4, and CaAl4O7 in the slag, thus reducing the content of impurities in the alloy. When RCaO/(CaO + Al2O3 + MgO) = 20%, the Cr content ranged from 46.61% to 47.09%, the inclusions accounted for 1.60%, the Cr particle size was refined to 20 µm, the number of Cr spherical crystals accounted for 9.88%, the conductivity reached 14.96 MS/m, and the hardness reached 100.23 HB. After heat treatment, the Cr phase was refined in the alloy, the conductivity increased from 14.96 MS/m to 18.27 MS/m, and the hardness increased from 100.23 HB to 103.1 HB. This method is expected to provide an effective method for the preparation of CuCr50 contact materials.

Wound healing is a major challenge worldwide, and people have been researching wound dressings that can promote wound healing for decades. Natural biobased materials, such as polysaccharides and proteins, have been widely used in the development of wound dressings. Among them, soy protein-based materials have attracted the interest of a wide range of researchers due to their safety, biocompatibility, controlled degradation, and ability to be mixed with other materials. However, there has been a lack of comments on these soy protein-based wound dressings. This work reviews various forms of soy protein-based wound dressings, such as hydrogels, films, and others, which could be prepared through physical/chemical cross-linking with synthetic or natural polymers. The important role played by soy protein-based materials in the wound healing phase and their properties will be examined, such as their anti-inflammatory, antioxidant, angiogenesis-promoting, cellular biocompatibility, self-healing ability, adhesion, antimicrobial, and tunable mechanical properties. Additionally, insights into the market prospects and trends for soy protein dressings are provided, clarifying the enormous development potential of soy protein as a new type of wound repair material.

BACKGROUND: Chronic cough affects around 10 % of the general adult population, impairing all aspects of quality of life.
OBJECTIVE: What are the Leicester Cough Questionnaire\'s psychometric properties?
METHODS: Electronic searches of PubMed, CINAHL, and ScienceDirect databases were conducted from inception until October 1rst 2022. All full-text articles, published in French or English, aimed at evaluating the LCQ\'s content validity or psychometric properties were included. The COSMIN Risk of Bias checklist was applied to assess their methodological quality and results. Results were qualitatively summarised and rated by a modified GRADE approach.
RESULTS: 40 studies were included accounting for 8731 adults, subject to cough or a respiratory condition. Chronic cough (>8 weeks) was the most represented. The LCQ\'s total score is relevant and comprehensible for the assessment of the impact of cough on QoL. The original 3-factor model showed a satisfactory model fit. Good convergent validity was found for the total and physical domain scores. These scores demonstrate good internal consistency and test retest reliability, with some variability noted and they are responsive to change. Recent estimates of MID thresholds were 1.7 and 0.4 for total and domain scores respectively. The quality of the studies is globally poor.
CONCLUSIONS: The LCQ is a valid outcome to assess the intra-individual impact of cough on QoL and to detect large changes in quality of life mainly in a short-term clinical trial setting.
BACKGROUND: The protocol was registered with PROSPERO (CRD42022355191).

Lignin-based carbon nanomaterials offer several advantages, including biodegradability, biocompatibility, high specific surface area, ease of functionalization, low toxicity, and cost-effectiveness. These materials show promise in biochemical sensing applications, particularly in the detection of metal ions, organic compounds, and human biosignals. Various methods can be employed to synthesize carbon nanomaterials with different dimensions ranging from 0D to 3D, resulting in diverse structures and physicochemical properties. This study provides an overview of the preparation techniques and characteristics of multidimensional (0-3D) lignin-based carbon nanomaterials, such as carbon dots (CDs), carbon nanotubes (CNTs), graphene, and carbon aerogels (CAs). Additionally, the sensing capabilities of these materials are compared and summarized, followed by a discussion on the potential challenges and future prospects in sensor development.

This review aims to comprehensively chronicle the biosynthesis, classification, properties, and applications of bacteriocins produced by Weissella genus strains, particularly emphasizing their potential benefits in food preservation, human health, and animal productivity. Lactic Acid Bacteria (LAB) are a class of microorganisms well-known for their beneficial role in food fermentation, probiotics, and human health. A notable property of LAB is that they can synthesize antimicrobial peptides known as bacteriocins that exhibit antimicrobial action against both closely related and other bacteria as well. Bacteriocins produced by Weissella spp. are known to exhibit antimicrobial activity against several pathogenic bacteria including food spoilage species, making them highly invaluable for potential application in food preservation and food safety. Importantly, they provide significant health benefits to humans, including combating infections, reducing inflammation, and modulating the gut microbiota. In addition to their applications in food fermentation and probiotics, Weissella bacteriocins show promising prospects in poultry production, processing, and improving animal productivity. Future research should explore the utilization of Weissella bacteriocins in innovative food safety measures and medical applications, emphasizing their potential to combat antibiotic-resistant pathogens, enhance gut microbiota composition and function, and synergize with existing antimicrobial therapies.

Ethylene propylene diene monomer (EPDM) is a synthetic rubber widely used in industry and commerce due to its high thermal and chemical resistance. Nanotechnology has enabled the incorporation of nanomaterials into polymeric matrixes that maintain their flexibility and conformation, allowing them to achieve properties previously unattainable, such as improved tensile and chemical resistance. In this work, we summarize the influence of different nanostructures on the mechanical, thermal, and electrical properties of EPDM-based materials to keep up with current research and support future research into synthetic rubber nanocomposites.