Favorable Sites Research Articles

Detection and interpretation of central type structures within the territory of southeastern Transbaikalia for prediction of ore-forming systems

Extremely little attention is paid to the issues of detecting and interpreting of central type structures (CTS) when conducting remote structural-geological and structural-geomorphological studies. At the same time, in the 70–80s of the 20th century, the important role of CTSs in the localization of deposits and ore fields was proven. The position of these structures must necessarily be taken into account when solving problems of searching for and predicting mineral resources in the context of metallogenic analysis and reconstruction of the geological history of development of the studied areas. The almost absence of results of mass detecting and interpreting of CTSs can be explained by the still poorly developed methodology for identifying and analyzing this type of structure. In the present study for the territory of southeastern Transbaikalia, based on modern geoinformation technologies, the use of remote sensing data (radar topographic survey) of high resolution, the creation of a digital elevation model and the application of an integrated structural-spatial analysis, an author’s approach to detection and interpretation of the CTSs is presented, including in connection with the localization of ore objects of various geological-industrial (geological-genetic) types within the framework of the concept of the formation of mineral systems. A statistical analysis of the CTSs identified in the area was carried out, which made it possible to establish a smooth increase in the number of structures with a decrease in their diameter. It is shown that the spatial maxima of ore mineralization extent within the territory are concentrated on the periphery of large CTSs and in their immediate vicinity. Most of the known large ore objects are confined to the internal areas of structures less than 10 km in diameter. Based on the approach of constructing model sections, it was possible to reconstruct the deep position of magma chambers associated with the identified CTSs, and, thereby, to determine the probable sources of metal-bearing fluids. A close spatial relationship between the identified magma chambers and deep faults has been established. To determine the most favorable sites for the deposition of ore mineralization, based on structural-spatial criteria, which include not only structural elements of the CTSs, but also segments of known fault structures, weight of evidence models of the territory have been created. The accuracy of the complex model is 89%. Thus, in accordance with the concept of mineral systems, the sources, migration pathways and sites of the most probable deposition of ore mineralization have been reconstructed.

Structural elucidation of 14-membered ring macrolide antibiotics using electrospray ionization tandem mass spectrometry and density functional theory calculations.

Macrolides are critical antibiotics featuring a macrocyclic lactone core with deoxy sugars. Understanding their gas-phase fragmentation is challenging but essential for improving structural elucidation in mass spectrometry, which has implications for drug discovery and development. We used electrospray ionization collision-induced dissociation tandem mass spectrometry (ESI-CID-MS) combined with quantum chemical calculations to investigate the fragmentation pathways of erythromycin A and roxithromycin. This approach helps elucidate the preferred fragmentation routes influenced by protonation sites. Macrolides showed similar fragmentation patterns, including sequential losses of saccharide or amino sugar units and dehydration from the macrocycle core. Multiple competitive pathways were observed, influenced by protonation sites. Computational studies confirmed the most favorable protonation sites and their impact on fragmentation, providing insights into key diagnostic product ions. Subsequent fragments involved rearrangement pathways such as alkene formation and cleavages via remote hydrogen transfers and pericyclic reactions. Our integrated approach offers a comprehensive understanding of macrolide fragmentation, enhancing structural elucidation and potential applications in drug development. This study advances mass spectrometry analysis of macrolides, contributing to pharmaceutical research by integrating orthogonal annotation methods and fragmentation studies.

A Comprehensive Geophysical Exploration of Sedimentary Exhalative Deposits: An Example from the Huaniushan Lead–Zinc–Silver Polymetallic Deposit in Gansu, China

The Huaniushan lead–zinc–silver deposit is a hydrothermal sedimentary exhalative deposit (SEDEX), and the mining area has complex geological conditions, with the main tectonic structure being the Huaheitan–Shuangfengshan Fault (F3), which controls the distribution of strata and magmatic rocks. Since the discovery of the Huaniushan lead–zinc–silver deposit, diverse interpretations of its genesis and metallogeny have been proposed, making it challenging to establish a definitive geological explanation. Moreover, using a single geophysical exploration method relies on limited rock physical parameters, making it difficult to effectively characterize underground structures. The combined use of multiple geophysical methods can effectively integrate the geophysical characteristics of different rock physical parameters, reducing the multiplicity and uncertainty of the inverse interpretation of geophysical data. The comprehensive interpretation of three-dimensional inversion based on various geophysical data, the construction of geological–geophysical models on geological grounds, the establishment of hidden ore exploration and positioning, and the rapid evaluation of geophysical technological systems are the current research trends in mineral exploration. In light of this, in this study, we conducted research on the three-dimensional inversion interpretation of gravity and magnetoelectric exploration data of the Huaniushan sedimentary exhalative lead–zinc–silver polymetallic deposit and constructed a three-dimensional geological–geophysical model of the study area based on the obtained three-dimensional physical structure of the underground density, magnetization intensity, resistivity, and polarizability of the study area, in combination with related geological and drilling hole data. Finally, we comprehensively interpreted the favorable mineralization sites in the study area.

In Situ Growth of Well-Aligned MOF Nanoneedle Arrays into Composite Photothermal Membranes for Solar Desalination.

The solar-driven interfacial evaporation (SDIE) technology serves as a clean and facile approach combining seawater desalination to address water shortage and energy crisis. Recently, porous organic framework materials have aroused great attention, and the development of MOF-based composites with significant performance in photothermal conversion and water activation has become one of the important focuses in this field. In this work, an MOF-based composite photothermal membrane (PON@MOF) was prepared via the in situ growth of metal-organic framework (MOF) nanoneedle arrays induced by a pyridine-based organic polymer nanowire network (PON). The PON@MOF membrane possessed an MOF array layer, a PON-induced layer, and a porous support layer. The PON is rich in coordinated nitrogen atoms for anchoring the metal-ion source, and the main role of the PON layer is to provide favorable nucleation sites and orient in situ growth of well-aligned MOF nanoneedle arrays. With the highly conjugated framework of PON@MOF and the light trapping of the nanoarrays strengthening the photothermal conversion as well as the hydrophilic chemical structure facilitating the decrease of the water evaporation enthalpy, the PON@MOF membrane realizes highly efficient thermal vapor conversion. Under solar irradiation (1.0 kW m-2), PON@MOF demonstrated an evaporation rate of 2.14 kg m-2 h-1 and a solar-to-vapor conversion efficiency of 98.5%. Meanwhile, the PON@MOF membrane has excellent salt resistance and stability, highlighting its potential application in desalination. Overall, this work provides a special idea for the structural design of photothermal composites for solar desalination and freshwater production.

In-situ nitrogen-doped porous carbon derived from penicillin mycelial residue for CO2 adsorption and adsorption mechanism investigation

The in-situ nitrogen-doped porous carbon materials was synthesized using penicillin mycelial residue (PMR) as the sole endogenous nitrogen-rich precursor through a two-step process applied for CO2 adsorption. Precise control over the structural properties and CO2 adsorption performance of the porous carbon was achieved by varying the KOH dosage and activation temperature. The porous carbon prepared under mild activation conditions (600 ℃, KOH/BC = 1) exhibited high nitrogen content and abundant ultramicroporous structures (pore size ≤ 0.7 nm), and demonstrated outstanding adsorption performance. The CO2 adsorption capacities reached 6.55 mmol/g at 0 ℃ and 3.48 mmol/g at 25 ℃, showing promising CO2/N2 selectivity and robust cyclic adsorption stability. Quantitative structure–activity relationship analysis displayed a strong correlation between adsorption density, CO2/N2 selectivity, and nitrogen content. Density functional theory calculations further confirmed that nitrogen-doping, especially pyrrolic-N, serves as favorable structural sites for CO2 adsorption. Additionally, Grand Canonical Monte Carlo simulations verified that the ultramicroporous structures significantly enhances CO2 adsorption due to their strong affinity for CO2. This study provides an economic strategy for the preparation of in-situ nitrogen-doped porous carbon with enriched micropore using PMR, highlighting their promising performances in CO2 adsorption, synchronously extending the harmless treatment and resource utilization of PMR to demonstrate a sustainable approach for environmental remediation.

Interaction of H2S with perfect and O-covered Pd(100) surface: A first-principles study

Using density functional theory (DFT) calculations, we investigated the dissociative mechanism of H2S adsorption and its dissociation on both clean and oxygen covered Pd (100) surface. For adsorption mechanism, the site preference was considered for H2S and HS monomers on both surfaces. The results suggest that H2S is energetically adsorbed on high symmetry sites, particularly the hollow site, on clean surface and top site on O-covered Pd (100) surface. Chemisorption of HS is stronger than H2S at the favorable hollow site on clean surface and O-covered surface. The energy barriers for S–H bond-breaking during the first H2S dehydrogenation are 0.35, 0.07, 0.32, and 0.16 eV, while for second dehydrogenation are 0.32 and 0.30 eV, respectively. On the oxygen-covered surface, the H2S adsorption site transitions from bridge to the top site and their energy barrier for first-order decomposition is 0.05 eV, significantly lesser than that observed on a clean surface. To examine more, the electronic densities of states as well as d-band center model were used to characterize the interaction of adsorbed H2S with the surfaces. Overall, our findings show that H2S decomposition on these surfaces is exothermic and relatively easy, but the presence of surface oxygen hinders the breaking process of H–S bond due to kinetic and thermodynamic factors.

Dataset for carbon dioxide adsorption on lizardite

This paper presents data on the adsorption of CO2 on the (001) and (00 ) surface lizardite. The data were obtained from calculations using the density functional theory (DFT) method implemented in the CASTEP software package. The calculations were performed using the plane wave basis set and the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. A semi-empirical Grimme D2 correction was used to correctly account for dispersion interactions, which play an important role in physical adsorption processes. The data include optimized geometry and electronic properties of equilibrium states of adsorbed CO2 on (001) and (00 ) lizardite surfaces. They contain the most energetically favorable adsorption sites and estimates of the interaction strength between the adsorbate and adsorbent. The analysis of the electronic structure includes calculations of charge distribution, density of states (DOS), and visualizations of electron density difference isosurfaces. These data provide detailed insights into the redistribution of electron density during adsorption and the nature of the bonds formed. All data, including optimized crystal structures, electronic properties, and calculation results, are available in formats that can be read by commonly available text editors and specialized atomic structure visualization and analysis software. The presented dataset can serve as a foundation for further studies on the interactions of various molecules with the lizardite surface.

Systematic Review of the Profunda Artery Perforator Free Flap for Head and Neck Reconstruction.

The profunda artery perforator (PAP) flap has gained popularity in head and neck reconstruction with a favorable donor site providing a relatively hidden scar and the ability to harvest a large amount of pliable tissue with consistent vascular anatomy. The primary aim of this study is to evaluate the safety and efficacy of this PAP flap in head and neck reconstruction. PUBMED, EMBASE, Web of Science, Google Scholar (January 1948-February 2022). A systematic review of the English language literature was conducted for studies with at least 3 patients 18 years or older undergoing head and neck reconstruction utilizing the PAP. Study quality and risk of bias were evaluated using the MINORS scoring system. Main analysis endpoints were flap failure rate, donor site morbidity, and complication rate. Nine articles and 206 total PAP flaps were included. The rate of flap-related and medical complications was 33%, with only 2 (0.97%) instances of complete flap failure. Other complications included partial flap failure (10, 4.86%) and donor site wound complications (12, 5.83%). A total of 16 flaps (7.77%) required subsequent revision in the operating room. Average MINORS score of the studies suggested a moderate to high risk of bias. Based on limited quality evidence, this review suggests that the PAP flap is a safe and feasible tool for head and neck reconstruction, with comparable complication and success rates as other free flaps. Further large-scale studies are warranted.

Nitrogen-Doped Borophene Quantum Dots: A Novel Sensing Material for the Detection of Hazardous Environmental Gases

Toxic gases emitted by industries and vehicles cause environmental pollution and pose significant health risks which are becoming increasingly dangerous. Therefore, the detection of the toxic gases is crucial. The development of gas sensors with high sensitivity and fast response based on nanomaterials has garnered significant interest. In this work, we studied the adsorption behavior of B9− wheel structures of pristine and nitrogen functionalized borophene quantum dots for major hazardous environmental gases, such as NO2, CO2, CO, and NH3. The self-consistent-charge density-functional tight-binding method (SCC-DFTB) method was performed to investigate structural geometries, the most favorable adsorption sites, charge transfer, total densities of states, and electronic properties of the structures before and after adsorption of the gas molecules. Based on calculated results, it was found that the interaction between the borophene quantum dots and the gas molecules was chemisorption. The functionalized nitrogen atom contributed to impurity states, leading to higher adsorption energies of the functionalized borophene quantum dots compared to the pristine ones. Total densities of states revealed insights into electronic properties of gas molecules adsorbed on borophene quantum dots. The nitrogen-doped borophene quantum dots demonstrated excellent performance as a sensing material for hazardous environmental gases, especially CO2.

Doping of Mn2+ ion into boron quantum dots with enhanced fluorescence properties for sensing of L-thyroxine biomarker and bioimaging applications

L-thyroxine serves as a primary biomarker for diagnosing hypothyroidism and it is also utilized in hormone replacement therapy. Regular assessment of thyroxine levels is crucial for preventing health issues in hypothyroid patients, suggesting the requirement of a facile analytical tool for the detection of L-thyroxine. In this work, a straightforward and efficient synthetic method is introduced for in-situ preparation of Mn2+-doped boron quantum dots (Mn2+@B-QDs) derived from boron powder through a solvothermal reaction. The introduction of Mn2+ ion into B-QDs not only enhances fluorescence efficiency but also provides favorable sites within the QDs, expanding their potential applications in analytical chemistry. The blue fluorescent Mn2+ @B-QDs exhibited excellent performance for the selective recognition of L-thyroxine via a dynamic quenching mechanism. Under ideal conditions, a good linear relation was observed between the fluorescence emission intensity ratio of Mn2+@B-QDs and the concentration of L-thyroxine in the range of 0.125–5 μM, with a lower detection limit of 59.86 nM. The Mn2+@B-QDs exhibited the negligible cytotoxicity against A549 lung cancer cell lines and demonstrated good biocompatibility toward Saccharomyces cerevisiae cells.

A Method for Predicting the Action Sites of Regional Mudstone Cap Rock Affecting the Diversion of Hydrocarbons Transported along Oil Source Faults

Regional mudstone cap rock has an important influence on the oil and gas distribution of the oil source faults below it. Therefore, studying the influence of these mudstone cap rocks on the hydrocarbon distribution pattern is fundamental to understanding the oil and gas distribution of the lower generation and upper reservoir reservoirs in the Bohai Bay Basin. This study classified two types of hydrocarbon diversion from oil source faults: blockage diversion and seepage diversion. To locate them, we established a method to predict the areas with blockage diversion and seepage diversion separately by superimposing the sealing and leakage parts of the regional mudstone cap rock with the regions of the connected distribution of sand bodies and the favorable hydrocarbon transport sites of the oil source faults, respectively. We used this approach to predict the locations where hydrocarbons are diverted by the oil source faults under the regional mudstone cap rocks in the first and second sections of the Dongying Formation (E3d1-2) in the Liuchu area of the Raoyang Sag, Bohai Bay Basin. The results show that the regional mudstone cap rock’s blockage diversion occurs mainly in the south-central area of Liuchu, with a localized distribution in the northern part. The seepage diversion site is primarily located in the northeastern area and is also found locally in the west. Both diversions are beneficial for the accumulation of hydrocarbons from the source rocks of the first member of the Shahejie Formation (E3s1) to the upper second member of the Dongying Formation (E3d2U). The latter can also accumulate hydrocarbons in the Guantao Formation (N1g). The results align with the hydrocarbon distribution, demonstrating the feasibility of our method to predict various oil source fault diversion sites under the regional mudstone cap rock. This prediction method offers valuable guidance for exploring the lower generation and upper reservoir hydrocarbon accumulations in hydrocarbon-bearing basins.

Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials

The growing demand for cost‐effective and sustainable energy‐storage solutions has spurred interest in novel anode materials for lithium‐ion batteries (LIBs). In this study, the potential of small‐molecule polycyclic aromatic hydrocarbons (SMPAHs) as promising candidates for LIB anodes is explored. Through a comprehensive experimental approach involving electrode fabrication, material characterization, and electrochemical testing, the electrochemical performance of SMPAHs, including naphthalene, biphenyl, 9,9‐dimethylfluorene, phenanthrene, p‐terphenyl, and pyrene (Py), is thoroughly investigated. In the results, the impressive cycle stability, high specific capacity, and excellent rate capability of the SMPAH electrode are revealed. Additionally, a direct contact prelithiation strategy is implemented to enhance the initial Coulombic efficiency (ICE) of SMPAH anodes, yielding significant improvements in the ICE and cycle stability. Computational simulations provide valuable insights into the electrochemical behavior and lithium‐storage mechanisms of SMPAHs, confirming their potential as effective anode materials. The simulations reveal favorable lithium adsorption sites, the predominant storage mechanisms, and the dissolution mechanism of Py through computational calculations. Overall, in this study, the promise of SMPAHs is highlighted as sustainable anode materials for LIBs, advancing energy‐storage technologies toward a greener future.

The Byzantine Insular Countryside in the Early Middle Ages (ca. 600-ca.900): The Cases of Sicily, Cyprus, and Crete in (partial) Light of Environmental Archaeology

ABSTRACT This paper provides an overview of rural surveys and environmental archaeology studies on Sicily, Cyprus and Crete during the Byzantine Empire. It re-evaluates traditional interpretations of agricultural settlement patterns, ecosystems and populations from Late Antiquity to the early Middle Ages (late sixth to late ninth century). The prevailing narrative that these islands were devastated by Arab incursions, leading to widespread depopulation, economic collapse and abandonment of rural sites in favour of fortified hilltop settlements, is questioned. Instead, the study employs a comparative and interdisciplinary approach, combining environmental and climatic data with historical and archaeological evidence. This method offers a more nuanced understanding of how insular rural societies adapted to changing environmental and human conditions during the Byzantine Empire's transition from an economically unified region to a fragmented Medieval Mediterranean. The findings highlight the resilient nature of land use and rural settlement patterns amidst the transformation of the empire's political, military and administrative structures.

Local Coordination Environment of Lanthanides Adsorbed onto Cr- and Zr-based Metal-Organic Frameworks.

Separating individual lanthanide (Ln) elements in aqueous mixtures is challenging. Ion-selective capture by porous materials, such as metal-organic frameworks (MOFs), is a promising approach. To design ion-selective MOFs, molecular details of the Ln adsorption complexes within the MOFs must be understood. We determine the local coordination environment of lanthanides Nd(III), Gd(III), and Lu(III) adsorbed onto Cr(III)-based terephthalate MOF (Cr-MIL-101) and Zr(IV)-based Universitet in Oslo MOFs (UiO-66 and UiO-68) and their derivatives. In the Cr(III)- and Zr(IV)-based MOFs, Ln adsorb as inner-sphere complexes at the metal oxo clusters, regardless of whether the organic linkers are decorated with amino groups. Missing linkers result in favorable Ln binding sites at oxo clusters; however, Ln can coordinate to metal sites even with linkers in place. MOF functionalization with phosphonate groups led to Ln chemisorption onto these groups, which out-compete metal cluster sites. Ln form monodentate and bidentate and mononuclear and binuclear surface complexes. We conclude that MOFs for ion-selective Ln capture can be designed by a combination of (1) maximizing metal-lanthanide interactions via shared O atoms at the metal oxo cluster sites, where mixed oxo clusters can lead to ion-selective Ln adsorption, and (2) functionalizing MOFs with Ln-selective groups capable of out-completing the metal oxo cluster sites.

Effect of alloying solutes on hydrogen segregation at pure iron Σ3(111) grain boundary: First-principles calculation

Hydrogen segregation behaviors at BCC-Fe Σ3 (111) grain boundary (GB) as well as the effects of alloying solutes were studied by the first-principles method. The segregation energy of alloying solutes at different periods presents a concave-down parabolic-like relationship with the atomic number, and the 4 d transition alloying solutes show a higher averaged segregation tendency. At the favorable trapping site, hydrogen segregation energy decreased by increasing the number of hydrogen atoms up to 0.85/Å2 in the plane vertical to the GB. Mo, Tc, Ru, Ta, W, Re, Os, and Ir strengthen GB and inhibit hydrogen segregation. Significantly, the interaction between alloying solutes and hydrogen segregation was elucidated by emphasizing the separation of the chemical and the mechanical contributions, and appropriate descriptors on hydrogen segregation energy influenced by alloying solutes were screened. This work offers theoretical backing to comprehend hydrogen segregation behaviors and the effects of alloying solutes to design advanced high-strength steels resistant to hydrogen embrittlement.

Impact of diatomit on the transport behavior of unmodified and carboxyl-modified nanoplastics in saturated porous media

Due to the extensive use of plastic products and unreasonable disposal, nanoplastics contamination has become one of the important environmental problems that mankind must face. The composition and structure of porous media can determine the complexity and diversity of the transport behavior of nanoplastics. In this study, the influence of diatomite (DIA) on the nanoplastics transport in porous media is investigated by column experiments combined with XDLVO interaction energy and transport model. Results suggest that the recovery rates of unmodified polystyrene nanoparticles (PSNPs) and carboxyl-modified polystyrene nanoparticles (PSNPs-COOH) in the porous media containing DIA decreases compared with that in the pure quartz sand (QS), and the BTCs showed a “blocking” pattern. The presence of DIA inhibits the transport of both PSNPs and PSNPs-COOH, but the inhibition is not significant. This may be because the presence of DIA provides more favorable deposition sites for PSNPs and PSNPs-COOH to some extent. However, since DIA itself carries a certain negative charge, this can only play a role in compressing the double electric layer for PSNPs and PSNPs-COOH with the same negative charge, and cannot destabilize them. The migration capacity of PSNPs and PSNPs-COOH is strongest in the DIA-QS porous media at pH = 7, and is weak at pH = 9 and pH = 5. The inhibition of migration at pH = 9 can be attributed to the dissolution of the DIA surface under alkaline conditions and the formation of pore and defect structures, which provide more deposition sites for PSNPs and PSNPs-COOH. The presence of humic acid (HA) leads to an increase in the mobility of PSNPs and PSNPs-COOH, and the mobility is enhanced with HA concentration. The mobility of PSNPs and PSNPs-COOH in DIA-QS decreases with ionic valence and ionic strength, and PSNPs-COOH is more significantly inhibited compared to PSNPs.

Models for Single‐Site Heterogeneous Catalysts on Carbon: MoO2 Epoxidation Catalyst Anchored to a Fullerene

Single‐site molybdenum dioxo catalysts, fullerenol/MoO2, are prepared via grafting precursor (DME)MoO2Cl2 onto a highly polyhydroxylated fullerene (ful) and a isomerically pure and well‐defined fullerene (ful*). These catalyst structures are characterized by ICP‐OES, XPS, XANES, EXAFS, DRIFT, Raman, and NMR spectroscopy, and DFT. Mo 3d5/2 XPS and Mo K‐edge XANES assign the oxidation state as Mo(VI). Mo EXAFS data fitting reveals two Mo=O double and two Mo‐O single bonds at distances of 1.7 and 1.9 Å, respectively, while an Mo=O stretchingl mode is observed at ~950 cm‐1 by DRIFT and Raman spectroscopy. These data align well with computational results, supporting the proposed catalyst structure as Fullerene(‐µ‐O‐)2M(=O)2. Additionally, DFT provides insight into the energetically favorable grafting sites for an isomerically pure fullerenol. The scope of fullerenol/MoO2 mediated alkene epoxidation includes abiotic alkenes, natural occurring terpenes, and conjugated olefins. For cyclooctene the rate law is first‐order in [Mo], near first order in [olefin] and zero‐order in [t‐butyl hydroperoxide]. A plausible reaction mechanism involves peroxide addition first and then cyclooctene addition directly across the peroxo bond forming the epoxide product, consistent with DFT computation. Overall, fullerenol/MoO2 shows promise as a sustainable and structurally well‐defined system with versatile catalytic activity and good epoxidation recyclability.

Comparison of Shear Bond Strength of Orthodontic Brackets Bonded to Enamel Prepared by Er: Yag Laser and Conventional Acid Etching Technique-An in-Vitro Study

Background: Brackets are one of the important components in orthodontic treatment which helps in transferring forces to the teeth to appreciate teeth movement. So, it is very important to have a better bond strength between brackets and teeth which can be achieved by different materials and techniques. Initially, etching (surface preparation) was done on the surface of the teeth by acid (37% phosphoric acid) to bond brackets directly to the teeth. Later with the introduction of lasers, surface preparation was done using Er: YAG laser which was considered as an alternative and better technique when compared with the conventional acid technique. Objective: To compare the differences in shear bond strength of orthodontic brackets bonded to enamel prepared by Er: Yag laser and conventional acid etching technique. Results: The shear bond strength of the acid group showed the least bond strength. ARI Index shows that group 3 laser etched group had major bond failure at favorable site with most number of score value between score1 to 3. ARI Index of group A & B showed most number of score value between score4 to 5 with major bond failure at unfavorable site. Conclusion: ANOVA and Chi-square test revealed statistically significant difference between 3 different groups on assessing the SBS and ARI Index. Group C (laser etched group at W. 1mJ & 10Hz) showed better bond strength at a clinically acceptable level and also had major bond failure at favorable site which produces least damage to the enamel surface. Group B laser etched group even though had higher bond strength of 15.95 MPa, their value highly deviates from the clinically required level of 8Mpa.

Unveiling the kinetics of interphase and random quaternary Nb[sbnd]Ti precipitations, and strengthening mechanism of HSLA steel

Traditional methods for analyzing multi-element precipitation are often time-consuming, labor-intensive, and expensive. Particularly, the initial nucleation stages of such precipitations remain poorly understood. A revised precipitation theory was employed to elucidate the nucleation and growth kinetic mechanisms of quaternary (Ti, Nb)(C, N) precipitation with two modes: interphase precipitation (IP) along the migrating α/γ interface and random precipitation (RP) along dislocations. The findings indicated that TiN preferentially nucleates at the ferrite side compared to that at the austenite side. The nucleation occurring at α/γ interface leads to a precipitation particle angle of approximately 5.3° within a single IP sheet. The interface provided more favorable nucleation sites than dislocations, significantly reducing the relative nucleation time. Additionally, the initial yielding behavior and strengthening mechanism were analyzed based on the two factors of the hot-rolling microstructure and precipitation. A favorable slip system was along the RD-ND plane as the texture index of α-{110} approximately 3.74, compared to 2.20 along the TD-ND plane, resulting in the lower upper yield strength. Once the number density of mobile dislocations increased during plastic deformation, the tensile stress decreased, leading to the local plastic instability. Finally, (Ti, Nb)(C, N) contributed to a strengthening increment of about 154 MPa. This study provides critical insights into the precipitation behavior in HSLA steels, offering significant implications for the design and development of advanced materials with enhanced mechanical properties.

Hydroxyl on Stepped Copper and its Interaction with Water.

We describe the hydroxyl and mixed hydroxyl-water structures formed on a stepped copper surface following the reaction of adsorbed O with water at a low temperature and compare them to the structures found previously on plane copper surfaces. Thermal desorption profiles, STM, and low-energy electron diffraction show that water reacts with O at temperatures below 130 K on Cu(511). Two well-defined phases appear as the OH/H2O layer is heated to desorb excess water, a 1OH:1H2O phase and a pure OH phase. The 1OH:1H2O structure consists of 1D chains binding across two adjacent copper steps, with a double period along the step. Electronic structure calculations show that the structure has a zigzag chain of water along the terrace, stabilized by hydrogen bonds to OH groups adsorbed in the step bridge sites. This structure binds OH in its favored site and is similar to the structure observed on other open faces of Cu and Ni, suggesting that this structural arrangement may be common on other surfaces that have steps or rows of close packed metal atoms. The hydroxyl/water chains decompose at 210 K to leave OH adsorbed in the Cu step bridge site, with some forming H-bonded trimers that bridge between two Cu steps. Heating the surface causes hydroxyl to disproportionate near 300 K, desorbing water to leave chemisorbed O.