Comparison Of Distances Research Articles

A quantitative comparison of bone resection margin distances in virtual surgical planning versus histopathology: a prospective study.

Positive bone margins have been shown to be associated with worse locoregional control and survival performance in oral oncology patients. With the application of computer-assisted surgery and patient-specific surgical guides, the authors can accurately execute the preoperative osteotomy plan. However, how well the authors can predict the margin distance in the final histopathology with a preoperative computed tomography (CT) scan, the factors associated with it, and how much leeway CT should spare when designing the osteotomy planes during virtual surgical planning (VSP) remain to be investigated. Patients from January 2021 to December 2022 with benign or malignant jaw tumors and with signs of bone marrow involvement in the preoperative CT scan in our center were prospectively recruited to the study. VSP and measurement of the closest margin distance in the CT scan were performed by the single team of surgeons. The resection specimen was processed, and the margin distances were measured by a dedicated senior pathologist with the knowledge of orientation of the osteotomy planes. A total of 35 patients were recruited, with 21 malignant and 14 benign cases. Sixty-eight bone margins were quantitatively analyzed. No significant difference in margin distances measured from the CT scan and final histopathology was detected ( P =0.19), and there was a strong correlation between the two (r s =0.74, P <0.01). A considerable amount of variance was detected in the level of discrepancy between margin distances measured in the CT scan and final histopathology (overall SD=6.26 mm, malignancy SD=7.44 mm, benign SD=4.40 mm). No significant correlation existed between the two margin distances when only maxilla tumor margins were assessed ( P =0.16). The bone margin distance in VSP is reliably correlated to the final pathological margin distance. A leeway distance of 15mm and 9mm should be considered when designing the osteotomy planes for malignancy and benign cases, respectively. Extra attention should be paid to maxilla cases when predetermining the osteotomy planes during VSP.

A Study of the Accuracy of a 3D Indoor Camera for Industrial Archaeology Applications

The paper aims to study the geometrical quality and opportunities of the state-of-the-art 3D camera Matterport Pro and examine its potential for industrial archaeology applications. The presented study consisted of two steps. In the first step, the geometrical quality of the camera-generated point cloud was investigated on the calibration test field. The geometrical quality was checked in two ways: (1) with distance comparison between reference targets and (2) with point cloud comparison. The coordinates of the reference targets were determined using a high-precision total station, while the FARO Scanner generated the reference point cloud. The study established that Matterport Pro has a scale systematic error that must be accounted for in 3D modeling and the inventory of archaeological objects. In the second step, the geometrical quality of the camera was checked for the actual archaeological object. As such an object, the historical copper-shaft Quincy Mine in Michigan State Upper Peninsula was considered. The specific subject of the study was one of the largest hoist engines in the world. The Matterport Pro camera scanned the indoor environment of the hoist engine house. The accuracy of the 3D model of the hoist engine was checked using additional linear measurements on-site. It was found that the accuracy of 1% showed that the camera specification can be improved through calibration. As an output of the second step, the accurately refined 3D model of the hoist engine’s interior was built. That model was embedded into a 3D model of the hoist engine’s house for usage in virtual tours of the Quincy Mine Museum. Finally, a virtual tour was created of the Quincy Mine house with exterior and interior models referenced to the geographical frame.

Local Structural Investigation of Near-Infrared-Reflective Black Ca2(Mn,Ti)O4 Pigments Using Synchrotron Radiation X-Ray and Density Functional Theory Calculations.

Layered perovskite black Ca2(Mn,Ti)O4 ceramics were studied by using synchrotron radiation X-rays (SRX) and density functional theory (DFT) calculations to investigate the valence states of the cations, average/local structures, and electronic states. The crystallographic data were obtained by the Rietveld refinement of the obtained synchrotron radiation X-ray powder diffraction patterns. X-ray absorption near edge structure (XANES) spectroscopy measurements revealed that the ratios of Mn4+ and Ti4+ were about 82 and 95%, respectively, in all samples, and the Mn/Ti valences were not affected by the introduction of Ti4+. In addition, two pre-edge peaks were observed in the Mn-XANES spectra, but their peak positions and intensities were affected by doping with Ti4+, indicating that the symmetry of the MnO6 octahedra was changed. A comparison of the atomic distances estimated from the Rietveld analysis and radial distribution function (RDF) revealed that there were large differences between the M-M distances (M = Mn, Ti). Therefore, XANES simulations were carried out to obtain models of the local structure. The experimental and theoretical data indicate that the Mn atoms were configured in a zigzagging arrangement, and the distortion of the MnO6 octahedra increased with the increase in the degree of Ti4+ doping. The origin of the changes to the pre-edge peaks was not only the crystal field strength around Mn but also the symmetry of the MnO6 octahedra.

Environmental susceptibility for all: A data-driven approach suggests individual differences in domain-general and domain-specific patterns of environmental susceptibility.

How we are influenced by our environment is a fundamental question in developmental science. Theories and empirical research have claimed that some individuals are susceptible to environmental influences and others are much less susceptible. The present study addressed four questions: (1) Is environmental susceptibility a continuous or categorical construct? (2) Is environmental susceptibility unidimensional (i.e., domain general) or multidimensional (i.e., domain specific)? (3) Are there genetic contributions to individual differences in environmental susceptibility? (4) What are the temperamental characteristics of different environmental susceptibility patterns? We used child- and mother-report data from a sample of 11-year-old twins (N = 1,507) and applied a novel data-driven approach to assess an environmental susceptibility space, based on simultaneous associations between multiple environmental exposures (18 measures relating to parenting, parent, peer, and twin relationships) and developmental outcomes (10 measures relating to empathy, prosocial behavior, aggression, and self-esteem). The results suggest that the environmental susceptibility space we assessed is better conceptualized as continuous and multidimensional. Different children showed susceptibility to different contexts and variation in domain-general versus domain-specific patterns. A comparison of distances between monozygotic and dizygotic twins within the space demonstrated genetic contributions. Finally, susceptibility patterns could not be differentiated based on a specific temperament trait, but rather related to temperament profiles.

Influence of insertion sequences on population structure of phytopathogenic bacteria in the Ralstonia solanacearum species complex.

Ralstonia solanacearum species complex (RSSC) is a destructive group of plant pathogenic bacteria and the causative agent of bacterial wilt disease. Experimental studies have attributed RSSC virulence to insertion sequences (IS), transposable genetic elements which can both disrupt and activate host genes. Yet, the global diversity and distribution of RSSC IS are unknown. In this study, IS were bioinformatically identified in a diverse collection of 356 RSSC isolates representing five phylogenetic lineages and their diversity investigated based on genetic distance measures and comparisons with the ISFinder database. IS phylogenetic associations were determined based on their distribution across the RSSC phylogeny. Moreover, IS positions within genomes were characterised and their potential gene disruptions determined based on IS proximity to coding sequences. In total, we found 24732 IS belonging to eleven IS families and 26 IS subgroups with over half of the IS found in the megaplasmid. While IS families were generally widespread across the RSSC phylogeny, IS subgroups showed strong lineage-specific distributions and genetically similar bacterial isolates had similar IS contents. Similar associations with bacterial host genetic background were also observed with IS insertion positions which were highly conserved in closely related bacterial isolates. Finally, IS were found to disrupt genes with predicted functions in virulence, stress tolerance, and metabolism suggesting that they might be adaptive. This study highlights that RSSC insertion sequences track the evolution of their bacterial hosts potentially contributing to both intra- and inter-lineage genetic diversity.

PCDD/F adsorption enhancement over nitrogen-doped biochar: A DFT-D study

Polychlorinated dibenzo-p-dioxin/furans (PCDD/F) have a great threat to the environment and human health, resulting in controlling PCDD/F emissions to regulation far important for emission source. Considering 2,3,4,7,8-pentachlorodibenzo-p-furan (PeCDF) identified as the most contributor to international toxic equivalent, 2,3,4,7,8-PeCDF can be considered as the target molecule for the adsorption of PCDD/F emission from industries. With the aim to in-depth elucidate how different types of nitrogen (N) species enhance 2,3,4,7,8-PeCDF on the biochar and guide the specific carbon materials design for industries, systematic computational investigations by density functional theory calculations were conducted. The results indicate pristine biochar intrinsically interacts with 2,3,4,7,8-PeCDF by π-π electron donor and acceptor (EDA) interaction, six-membered carbon rings of PeCDF parallel to the biochar surface as the strongest adsorption configuration. Moreover, by comparison of adsorption energy (−150.16 kJ mol−1) and interaction distance (3.593 Å) of pristine biochar, environment friendly N doping can enhance the adsorption of 2,3,4,7,8-PeCDF on biochar. Compared with graphitic N doping and pyridinic N doping, pyrrolic N doping biochar presents the strongest interaction toward 2,3,4,7,8-PeCDF molecule due to the highest adsorption energy (−155.56 kJ mol−1) and shortest interaction distance (3.532 Å). Specially, the enhancing adsorption of PeCDF over N doped biochar attributes to the enhancing π-π electron EDA interaction and electrostatic interaction. In addition, the effect of N doping species on PeCDF adsorbed on the biochar is more than that of N doping content. Specially, the adsorption capacity of N doping biochar for PCDD/F can be improved by adding pyrrolic N group most efficiently. Furthermore, pyrrolic N and pyridinic N doping result in the entropy increase, and electrons transform from pyrrolic N and pyridinic N doped biochar to 2,3,4,7,8-PeCDF molecule. A complete understanding of the research would supply crucial information for applying N-doped biochar to effectively remove PCDD/F for industries.

The difficulty of aligning intrinsically disordered protein sequences as assessed by conservation and phylogeny.

Intrinsically disordered proteins (IDPs) are proteins that lack a stable 3D structure but maintain a biological function. It has been frequently suggested that IDPs are difficult to align because they tend to have fewer conserved residues compared to ordered proteins, but to our knowledge this has never been directly tested. To compare the alignments of ordered proteins to IDPs, their multiple sequence alignments (MSAs) were assessed using two different methods. The first compared the similarity between MSAs produced using the same sequences but created with Clustal Omega, MAFFT, and MUSCLE. The second assessed MSAs based on how well they recapitulated the species tree. These two methods measure the "correctness" of an MSA with two different approaches; the first method measures consistency while the second measures the underlying phylogenetic signal. Proteins that contained both regions of disorder and order were analyzed along with proteins that were fully disordered and fully ordered, using nucleotide, codon and peptide sequence alignments. We observed that IDPs had less similar MSAs than ordered proteins, which is most likely linked to the lower sequence conservation in IDPs. However, comparisons of tree distances found that trees from the ordered sequence MSAs were not significantly closer to the species tree than those inferred from disordered sequence MSAs. Our results show that it is correct to say that IDPs are difficult to align on the basis of MSA consistency, but that this does not equate with alignments being of poor quality when assessed by their ability to correctly infer a species tree.

High-Dimensional Approximate Nearest Neighbor Search: with Reliable and Efficient Distance Comparison Operations

Approximate K nearest neighbor (AKNN) search in the high-dimensional Euclidean vector space is a fundamental and challenging problem. We observe that in high-dimensional space, the time consumption of nearly all AKNN algorithms is dominated by that of the distance comparison operations (DCOs). For each operation, it scans full dimensions of an object and thus, runs in linear time wrt the dimensionality. To speed it up, we propose a randomized algorithm named ADSampling which runs in logarithmic time wrt the dimensionality for the majority of DCOs and succeeds with high probability. In addition, based on ADSampling we develop one generic and two algorithm-specific techniques as plugins to enhance existing AKNN algorithms. Both theoretical and empirical studies confirm that: (1) our techniques introduce nearly no accuracy loss and (2) they consistently improve the efficiency.

CHARACTERISTICS OF THE BINDING BETWEEN THE ENZYME PREPARATION RAPHANUS SATIVUS L. AND NATURAL LAYERED ALUMOSILICA IN THE PRESENCE OF IRON OXIDES

IR and X-ray analyses of bentonite modified with magnetite and enzyme established the dependence of enzyme immobilization on the presence of iron oxides. IR studies have proven that the binding of the enzyme to the carrier is adsorption in nature without stable chemical interactions. This type of binding does not significantly affect the change in the structure of the enzyme module. Characte­ristic bands of vibrations of amide groups of proteins were detected at 1637 cm-1 ( ν-vibrations of C=O bonds (amide I)), 713 cm-1 (δ – vibrations of O=C-N in the plane (amide IV)), which can participate in the sorption binding of the enzyme to bentonite and the SiO2 group, which is characterized by a weak connection of the outer part of protein with the formation of a surface structure, which disappears over time due to the diffusion of molecules into the pores of the mineral. Comparison of the basal distances in the samples established the following dependence: 12.43 Å bentonite+ Fe3O4+enz (48 h) &gt; 12.38; Å natural bentoni­te&gt; 12.31; Å bentonite+ Fe3O4+enz (2 hours) &gt; 11.91; Å bentonite+ Fe3O4 , which indicates a high probability of iron compounds entering the interlayer space due to the hydrolysis of magnetite with the formation of Fe-(OH)n bonds and unstable compounds. According to the research results, a scheme of the interaction of the enzyme with modified layered iron aluminosilicate is proposed: 1 – transport of the enzyme to the surface (phase distribution boundaries); 2 – deformation of the enzyme under the action of the surface as a result of a polycondensation reaction with the formation of water molecules; 3 – entry of water molecules into the interlayer space; 4 – hydrolysis of magnetite particles; 5 – extraction of iron hydroxide from the interlayer space due to the formation of aggregates with an enzyme molecule that has a related adsorption center.

Comparison of 6-min walk test distance vs. estimated maximum oxygen consumption for predicting postoperative pulmonary complications in patients undergoing upper abdominal surgery: a prospective cohort study

ObjectiveThe present study aims to evaluate the predictive ability of estimated maximum oxygen consumption (edot{V}O2max) and 6-min walk distance (6MWD) for postoperative pulmonary complications (PPCs) in adult surgical patients undergoing major upper abdominal surgery.MethodThis study was conducted by collecting data prospectively from a single center. The two predictive variables in the study were defined as 6MWD and edot{V}O2max. Patients scheduled for elective major upper abdominal surgery from March 2019 to May 2021 were included. The 6MWD was measured for all patients before surgery. edot{V}O2max was calculated using the regression model of Burr, which uses 6MWD, age, gender, weight, and resting heart rate (HR) to predict aerobic fitness. The patients were categorized into PPC and non-PPC group. The sensitivity, specificity, and optimum cutoff values for 6MWD and edot{V}O2max were calculated to predict PPCs. The area under the receiver operating characteristic curve (AUC) of 6MWD or edot{V}O2max was constructed and compared using the Z test. The primary outcome measure was the AUC of 6MWD and edot{V}O2max in predicting PPCs. In addition, the net reclassification index (NRI) was calculated to assess ability of edot{V}O2max compared with 6MWT in predicting PPCs.ResultsA total of 308 patients were included 71/308 developed PPCs. Patients unable to complete the 6-min walk test (6MWT) due to contraindications or restrictions, or those taking beta-blockers, were excluded. The optimum cutoff point for 6MWD in predicting PPCs was 372.5 m with a sensitivity of 63.4% and specificity of 79.3%. The optimum cutoff point for edot{V}O2max was 30.8 ml/kg/min with a sensitivity of 91.6% and specificity of 79.3%. The AUC for 6MWD in predicting PPCs was 0.758 (95% confidence interval (CI): 0.694–0.822), and the AUC for edot{V}O2max was 0.912 (95%CI: 0.875–0.949). A significantly increased AUC was observed in edot{V}O2max compared to 6MWD in predicting PPCs (P < 0.001, Z = 4.713). And compared with 6MWT, the NRI of edot{V}O2max was 0.272 (95%CI: 0.130, 0.406).ConclusionThe results suggested that edot{V}O2max calculated from the 6MWT is a better predictor of PPCs than 6MWD in patients undergoing upper abdominal surgery and can be used as a tool to screen patients at risk of PPCs.

The Imaginary Line Across Yogyakarta Land as an Ethnomathemathics Study

In attempt to explore Yogyakarta, the heritage city of Indonesia, the well known landmark, Tugu Pal Putih and the Yogyakarta Imaginary Line is explored. The purpose of this paper is to describe that this cultural context may be used as a reference for geometry learning. The method used in this research is a descriptive qualitative involving two historian experts in interviews. The results are that this line can be explored through ethnomathematics studies based on points, straight lines, comparison of distances between points on the imaginary line and the extension of the imaginary line. This line can be illustrated by an imaginary point located at the Tugu Pal Putih as the starting point to focus on thinking of the mathematical object. This line not only divides Yogyakarta imaginatively but also according to natural boundaries such as rivers. The extension of the imaginary line forms an area called the fertility area. The description of the patterns formed on the Yogyakarta Imaginary Line through ethnomathematics is expected to be used further as materials in the mathematics learning process.

Ambulation of Patients With In Situ Femoral Intraaortic Balloon Pump While Awaiting Heart Transplantation.

Ambulation of Patients With In Situ Femoral Intraaortic Balloon Pump While Awaiting Heart Transplantation.

Nature of Interlayer Bonds in Two-Dimensional Materials

The role of interlayer bonds in the two-dimensional (2D) materials "beyond graphene" and so-called van der Waals heterostructures is vital, and understanding the nature of these bonds in terms of strength and type is essential due to a wide range of their prospective technological applications. However, this issue has not yet been properly addressed in the previous investigations devoted to 2D materials. In our work, by using first-principles calculations we perform a systematic study of the interlayer bonds and charge redistribution of several representative 2D materials that are traditionally referred as van der Waals systems. Our results demonstrate that one can distinguish three main types of inter-layer couplings in the considered 2D structures: one atom thick membranes bonded by London dispersion forces (graphene, hBN), systems with leading electrostatic interaction between layers (diselenides, InSe and bilayer silica) and materials with so-called dative or coordination chemical bonds between layers (ditelurides). We also propose a protocol for recognising the leading type of interlayer bonds in a system that includes comparison of interlayer distances, binding energies and redistribution of the charge densities in interlayer space. Such an approach is computationally cheap and can be used to further prediction of chemical and physical properties such as charge density waves (CDW), work function and chemical stability at ambient conditions.

Numerical comparison and design of magnets arrays for particle separating, based on magnetophoresis

In this paper, based on magnetophoresis, the effects of magnets arrays changings on particle tracing are analyzed. The changing of magnets arrays are included the changings of magnets dimensions and also the changing of the space between them. Magnets arrays with different styles, have generated dissimilar magnetic field. Hence, in some cases the magnetic force is stronger. In these cases, the manipulation on particles are done in less time. The importance of this problem is related to increase the throughput of the microsystem.To conquer to this challenge analytical methods (mathematical piecewise method) in 2D platform are used. The path of particles in microchannel are predicted. Then, the changings in magnets arrays (gap-dimension) are inserted. Lastly, the comparison of distance, velocity, and time to find out the proper style are done.The results shown that for the specific surface area (volume in 3D platform), there is a particular magnets dimension with a particular spacing between them (gap-dimension). Which has performed a maximum effects on microparticles. The simulations for five surface area S1 = 40000 μm2, S2 = 62500 μm2, S3 = 90000 μm2, S4 = 122500 μm2, and S5 = 160000 μm2 are proceed. The results are describes as the couple of gap-dimension which the gap is the space between magnets and the dimension is the intersection of the magnets and the channel. The results of (gap-dimension) for specific surface area are listed respectively as: (500 μm−107 μm), (575 μm−127 μm), (650 μm–146 μm), (725 μm−164 μm), and (800 μm − 183 μm). The efficiency and throughput in this points are 100 percent for micro device. Because all of the particle are captured in the less time.Using the proper gap-dimension for the magnets arrays is led to maximize the efficiency and throughput of the microsystem.

Overlying strata failure mechanism and gas migration law in close distance outburst coal seams: A case study

In the mining process of close distance outburst coal seams, a large amount of gas is desorbed and discharged into the atmosphere causing the waste of coal bed gas resource and seriously damaging the ecological environment. In this study, taking Anshun coal mine as engineering background, physical simulation combined with digital speckle technology, numerical simulation and analytical geometry theory are adopted to investigate the overlying strata failure mechanism and gas migration law in close distance outburst coal seams for providing the solutions with effective extraction and efficient utilization of coal bed gas. The results show that the mining-induced cracks play the guiding role for the migration of pressure-relieving gas, and the enrichment space for the gas migration can be observed as dynamic change state before fully mining. Most importantly, the directional long drilling section extraction technology (DLD-SET) is proposed in this study, which can cover the extraction pipeline to the whole life cycle of mining operations, and adjust the height of the final hole according to the propulsion distance and industrial comparison test was carried out. It can significantly increase the amount of gas extraction and improve the power generation efficiency compared to the traditional technology. This study provides the potential measures for green mining and low-carbon production of gas in close distance outburst coal seams by considering economic and environmental benefits.

Reduction of vowel space in Alzheimer's disease.

Reduced vowel space area (VSA) is a known effect of neurodegenerative diseases such as Parkinson's disease (PD). Using large publicly available corpuses, two experiments were conducted comparing the vowel space of speakers with and without Alzheimer's disease (AD) during spontaneous and read speech. First, a comparison of vowel distance found reduced distance in AD for English spontaneous speech, but not Spanish read speech. Findings were then verified using an unsupervised learning approach to quantify VSA through cluster center detection. These results corroborate observations for PD that VSA reduction is task-dependent, but further experiments are necessary to quantify the effect of language.

Erratum to “Comparison of shoulder muscle strength, cross-sectional area, acromiohumeral distance, and thickness of the supraspinatus tendon between symptomatic and asymptomatic patients with rotator cuff tears” J Shoulder Elbow Surg. 2020; 29(10):2043-2050. https://doi.org/10.1016/j.jse.2020.02.017.

Erratum to “Comparison of shoulder muscle strength, cross-sectional area, acromiohumeral distance, and thickness of the supraspinatus tendon between symptomatic and asymptomatic patients with rotator cuff tears” J Shoulder Elbow Surg. 2020; 29(10):2043-2050. https://doi.org/10.1016/j.jse.2020.02.017.

An Accurate and Privacy-Preserving Retrieval Scheme Over Outsourced Medical Images

With the rapid advancement in medical imaging techniques, Content-Based (medical) Image Retrieval (CBIR), which can assist in disease diagnosis, has gained much attention in both academia and industry. However, due to patients’ sensitive information involved in medical images, privacy-preserving CBIR is a challenge worth exploiting. Though several privacy-preserving CBIR schemes have been put forth, they can only resist known-background attack (KBA), and do not suffice for protecting the image privacy in outsourced settings. In this article, aiming at the above challenge, we first design a novel Privacy-preserving Mahalanobis Distance Comparison (PMDC) method to improve the accuracy of medical images retrieval. Then, combined with the Mahalanobis distance based Fuzzy C-Means (FCM-M) algorithm, a scheme named TAMMIE is proposed to achieve accurate and privacy-preserving medical image retrieval over encrypted data. With TAMMIE, an image owner can securely outsource the images and indexes to a cloud server, and query users can request retrieval services from the cloud server while keeping their queries private. Detailed security analysis shows that our proposed schemes are secure under the attack stronger than KBA. Furthermore, thorough empirical experiments conducted on two real-world and one synthetic datasets also demonstrate the efficiency of TAMMIE.

A Comparison of Tip-Apex Distance at Various Angles of Fixation Devices in Hip Fractures.

Background Intertrochanteric neck of the femur (NOF) fractures are very common, and the majority are fixed using dynamic hip screws (DHS) or intramedullary (IM) nails with a fixed angle.The aim of this study was to assess which angle of fixation has a better tip-apex distance (TAD) on X-ray and lower complication rates. Methods We included patients with intertrochanteric hip fractures fixed using a DHS or an IM nail. We included patients who had complete radiological and clinical records and a minimum follow-up of 24 months. We measured the TAD and recorded the number of implant cutouts, fracture site nonunions, and periprosthetic fractures. Results A total of 107 patients were included, 35 IM nails and 72 DHS. There were four cases of implant cutouts within the DHS group and none in the IM nail group. All four cutout cases were fixed using 135° angle DHS, and two had TAD of more than 25 mm. Multivariable regression analysis revealed that the implant fixation device (p=0.002) and the angle of fixation (p<0.001) are the most important predictors of TAD. Conclusion Smaller angle (130° or 125°) fixation devices allow better positioning of the lag screw and consequently better TAD, which leads to a lower probability of implant cutout in patients undergoing fracture of the neck of the femur surgery.

Structures, binding and clustering energies of [formula omitted] clusters and temperature effects: A DFT study

The study of Cu2+-methanol interactions allows the understanding of metal-alcohol interactions present in many biological and biochemical processes. This work proposes to explore the potential energy of surfaces of the Cu2+(MeOH)n=1-8 clusters in gas phase, temperature-dependence of the relative population, binding and clustering energies of the solvated Cu2+ ion in methanol using M06-2X DFT functional method associated with the 6-31++G** basis set. It emerges new structures are presented for the first time in the literature and the stability rules are respected in almost all sizes. Moreover, the comparison of the length distances of dative bonds obtained with the M06-2X method are in agreement with the experimental results and with the ab initio MP2 method. The M06-2X method is thus presented as an alternative to the MP2 method. The investigation of the temperature dependence of the isomer distribution shows that the most stable and compact structures dominate the population of the studied clusters. For sizes n=2-4, two isomers contribute to the relative population with a dominance of structures in which the methyl group is symmetric, particularly at low temperature. For n⩾6, at least three isomers participate in the population of clusters. Thus, the hexa-, penta- and tera-coordinated structures compete the population of clusters. We also predicted binding and clustering energies as a function of the cluster size, up to n=∞. We propose new values of the electronic binding energy, the binding enthalpy and the free binding energy for the solvation of the Cu2+ ion in methanol. These values are respectively -7150.3, -5974.3 and -4069.5kJ mol−1. Similarly, the values of clustering energies, clustering enthalpy and clustering free energy of Cu2+(MeOH)n clusters, are -113.5, -115.8 and-47.9kJ mol−1 respectively. These energy analyzes are in agreement with the MP2 results and the experimental results obtained in methanol with other dications.