Microscopic Structural Changes Research Articles

Determination of static and dynamic characteristics of microscopic pore-throat structure in a tight oil-bearing sandstone formation

In this study, an integrated and practical framework has been developed to quantify the static and dynamic characteristics of microscopic pore-throat structure in a tight oil-bearing sandstone formation. Experimentally, thin sections were prepared out of core samples collected from a tight formation, while corresponding analyses were respectively performed by using the scanning electron microscopy (SEM) and X-ray diffraction (XRD) techniques. In addition to pore types and clay minerals, the size, fraction and distribution of grains were identified and classified. Pore and throat size distributions were then determined by using pressure-controlled mercury injection (PMI) and rate-controlled mercury injection (RMI) respectively to quantify the changes in microscopic pore-throat structure after brine flow tests. Subsequently, displacement experiments of waterflooding and surfactant flooding were performed to determine the upper and lower cutoff value of the movable throat radius. Rock grains primarily containing fine sand and silt are found to possess complex compositions, while both intergranular pores and intragranular dissolution pores are dominant. Nano-throats may have developed in a tight formation due to small radii of pores and throats. Compared to the pore size distribution, throat radius is found to be reduced by 13.9% after brine flow tests, while the cutoff value of movable throat can be decreased to 0.019 µm from 0.033 µm by using a surfactant.

Strain/sintering co-induced multiscale structural changes in plasma-sprayed thermal barrier coatings

During thermal exposure, performance degradation is a main headache for thermal barrier coatings. However, most study to understand the performance evolution is often based on single effect of sintering with free-standing samples. Actually, the TBCs would be co-affected by sintering and strain caused by mismatch of thermal expansion coefficient (CTE). In this study, the multiscale structural changes of plasma-sprayed TBCs co-induced by strain and sintering were investigated. It is found that the overall evolution can be divided into several stages. At stage I, the single effect of strain leads to similar microscopic structural changes, despite of positive or negative CTE mismatch. This is highly related to the feature of lamellar structure. At stage II, the co-effect of sintering and strain on microscopic structural change is associated with the strain signs. Different strain signs lead to opposite changing trends in morphology of inter-splat pores, which affects their healing rates through multi-contact. As a result, the positive strain would enhance the sintering kinetic, whereas the negative strain would retard the sintering kinetic. At stage-III, the co-effect of sintering and strain leads to macroscopic structural changes, which can be responsible for different failure mechanisms. The new insight into co-effect of sintering and strain provides a comprehensive understanding on the performance evolution of plasma-sprayed TBCs, which is crucial for the further structural tailoring to retard the performance degradation.

Molecular dynamics study of tridymite

Structural changes in tridymite have been investigated by molecular dynamics simulation. Two thermal processes were carried out, one cooling from the high-temperature hexagonal structure of tridymite (HP-tridymite) and the other heating from the low-temperature monoclinic structure of tridymite (MX1-tridymite). The former process showed that HP, LHP (low-temperature hexagonal structure), OC (orthorhombic structure with C2221 symmetry) and OP (orthorhombic structure with P212121 symmetry)-like structures appeared in sequence. In contrast, the latter process showed that MX1, OP, OC, LHP and HP-like structures appeared in sequence. Detailed analysis of the calculated structures showed that the configuration underwent stepwise changes associated with several characteristic modes. First, the structure of HP-tridymite determined from diffraction experiments was identified as a time-averaged structure in a similar manner to β-cristobalite, thus indicating the important role of floppy modes of oxygen atoms at high temperature - one of the common features observed in silica crystals and glass. Secondly, the main structural changes were ascribed to a combination of distortion of the six-membered rings in the layers and misalignment between layers. We suggest that the slowing down of floppy oxygen movement invokes the multistage emergence of structures with lower symmetry on cooling. This study therefore not only reproduces the sequence of the main polymorphic transitions in tridymite, except for the appearance of the monoclinic phase, but also explains the microscopic dynamic structural changes in detail.

Microscopic structural changes during photodegradation of low-density polyethylene detected by Raman spectroscopy

Raman spectroscopy has been used to reveal the microscopic structural changes of low-density polyethylene under ultraviolet irradiation. The fraction of non-crystalline consecutive trans chains (the molecular chains in the trans conformation separate from the orthorhombic crystalline phase) drastically decreases at ∼600 h, together with a decrement in the molecular weight and an increment in the crystallinity owing to chemicrystallization. This suggests that short trans chains are prolonged to form consecutive trans chains before chemicrystallization. Moreover, gradual increases of the stretching and compression stresses are observed on the trans and amorphous chains, respectively. These conformational changes are detected by Raman spectroscopy even in the early stage of photodegradation. Chemicrystallization at ∼600 h is accompanied by structural changes, such as shortening of the interchain distance of the lamellar crystals and thinning of the amorphous layer, which induce formation of surface cracks on the macroscopic specimen.

Single-molecular and ensemble-level oscillations of cyanobacterial circadian clock.

When three cyanobacterial proteins, KaiA, KaiB, and KaiC, are incubated with ATP in vitro, the phosphorylation level of KaiC hexamers shows stable oscillation with approximately 24 h period. In order to understand this KaiABC clockwork, we need to analyze both the macroscopic synchronization of a large number of KaiC hexamers and the microscopic reactions and structural changes in individual KaiC molecules. In the present paper, we explain two coarse-grained theoretical models, the many-molecule (MM) model and the single-molecule (SM) model, to bridge the gap between macroscopic and microscopic understandings. In the simulation results with these models, ATP hydrolysis in the CI domain of KaiC hexamers drives oscillation of individual KaiC hexamers and the ATP hydrolysis is necessary for synchronizing oscillations of a large number of KaiC hexamers. Sensitive temperature dependence of the lifetime of the ADP bound state in the CI domain makes the oscillation period temperature insensitive. ATPase activity is correlated to the frequency of phosphorylation oscillation in the single molecule of KaiC hexamer, which should be the origin of the observed ensemble-level correlation between the ATPase activity and the frequency of phosphorylation oscillation. Thus, the simulation results with the MM and SM models suggest that ATP hydrolysis stochastically occurring in each CI domain of individual KaiC hexamers is a key process for oscillatory behaviors of the ensemble of many KaiC hexamers.

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OBJECTIVES/SPECIFIC AIMS: (i) Digitally quantify pathologically relevant glomerular microcompartmental structures in murine renal tissue histopathology images. (ii) Digitally model disease trajectory in a mouse model of diabetic nephropathy (DN). METHODS/STUDY POPULATION: We have developed a computational pipeline for glomerular structural compartmentalization based on Gabor filtering and multiresolution community detection (MCD). The MCD method employs improved, efficient optimization of a Potts model Hamiltonian, adopted from theoretical physics, modeling interacting electron spins. The method is parameter-free and capable of simultaneously selecting relevant structure at all biologically relevant scales. It can segment glomerular compartments from a large image containing hundreds of glomeruli in seconds for quantification—which is not possible manually. We will analyze the performance of our computational pipeline in healthy and streptozotocin induced DN mice using renal tissue images, and model the structural distributions of automatically quantified glomerular features as a function of DN progression. The performance of this structural-disease model will be compared with existing visual quantification methods used by pathologists in the clinic. RESULTS/ANTICIPATED RESULTS: Computational modeling will reveal digital biomarkers for early proteinuria in DN, able to predict disease trajectory with greater precision and accuracy than manual inspection alone. DISCUSSION/SIGNIFICANCE OF IMPACT: Automated detection of microscopic structural changes in renal tissue will eventually lead to objective, standardized diagnosis, reflecting cost savings for DN through discovery of digital biomarkers hidden within numerical structural distributions. This computational study will pave the path for the creation of new digital tools which provide clinicians invaluable quantitative information about expected patient disease trajectory, enabling earlier clinical predictions and development of early therapeutic interventions for kidney diseases.

A preliminary report of cerebral white matter microstructural changes associated with adolescent sports concussion acutely and subacutely using diffusion tensor imaging.

Diffusion tensor imaging (DTI) has demonstrated its utility in detecting microscopic post-concussion cerebral white matter structural changes, which are not routinely evident on conventional neuroimaging modalities. In this study, we compared 10 adolescents with sports concussion (SC) to 12 orthopedically-injured (OI) individuals within 96h and three months post injury to 12 typically-developing (TD) participants using DTI and volumetric analyses. In terms of volume, no group differences were noted between SC, OI and TD groups at both 96h and three months post concussion. Results did not show significant differences between SC, OI, and TD groups for both fractional anisotropy (FA) and apparent diffusion coefficient (ADC) in all regions of interest within 96h post concussion. However, at three months post-injury, the SC group exhibited significantly lower FA than the TD group in various regions of interest. In terms of ADC, significant group differences between SC and TD groups were found in some regions, with SC group having higher ADC than TD. No group differences for FA and ADC were noted between SC and OI groups at three months post-injury. However, several moderate effect sizes on between-group analyses were noted such that FA was lower and ADC was higher in SC relative to OI. Longitudinally, the SC group demonstrated decreased FA and increased ADC in some areas. The findings highlight the fact that the brain continues to change during the post-injury recovery period, and raises the possibility that adverse changes may result from the neurometabolic cascade that purportedly ensues following SC. DTI may potentially be used to characterize the nature of brain changes that occur following sports-related concussions.

Force transmission and its effect on structural changes in plasma-sprayed lamellar ceramic coatings

In this study, thermal mismatch strain-induced structural changes in plasma-sprayed lamellar ceramic coatings upon heating were investigated. Experimental results showed that the main structural change is the propagation of inter- and intra-splat cracks along their tips. Correspondingly, significant changes in properties were observed. A lamellar model with connected inter- and intra-splat cracks was developed. The modeling results suggested that shear stress would be primarily concentrated at the interface between two layers, accounting for the propagation of the inter-splat cracks. Subsequently, the stress was transmitted through the residual bonding areas into the upper layer, and thus a tensile effect was generated inside the splat segment. This can be responsible for the propagation of the intra-splat cracks. In addition, dependence of the crack propagation behavior on the structural parameters is discussed. These microscopic structural changes may provide fundamental understanding on the global structural evolution and failure mechanism of coating/substrate systems during service conditions.

Density profile and microstructural analysis of densified beech wood (Fagus sylvatica L.) plasticized by microwave treatment

This study was carried out in order to determine the efficacy of microwave (MW) plasticization for wood densification purposes. The plasticization process was carried out using a continuous feed laboratory MW at a frequency of 2.45 GHz. European beech (Fagus sylvatica L.) specimens measuring 50 mm × 40 mm × 8 mm were MW treated (plasticized) with an output of 3.5 kW at a conveyor speed of 0.4 m/min. Afterwards, MW plasticized specimens were densified with a ratio of 50%. Microscopic structure changes of densified wood were detected using a scanning electron microscope (SEM) and density profiles were measured using the X-ray densitography. An average density of 677 kg m−3 and 771 kg m−3 increased significantly to 951 kg m−3 for radially densified and to 1194 kg m−3 for tangentially densified specimens. X-ray densitography results show uniformity of density profiles through specimen thickness, which confirmed the evenly plasticized volume of wood. Microscopic structure observation revealed that the MW plasticization was not accompanied by any fractures, and deformations present in the densified wood were due to viscoelastic buckling of cell walls without crack propagation. Therefore, MW treatment can be considered as an effective method for wood plasticization.

Esculetin ameliorates hepatic fibrosis in high fat diet induced non-alcoholic fatty liver disease by regulation of FoxO1 mediated pathway.

Non-alcoholic fatty liver disease (NAFLD), a chronic metabolic disorder is associated with oxidative stress, inflammation and fibrotic cascades. In this study, we aimed to examine the effects of Esculetin, a well-known anti-oxidant on TGF-β1 mediated liver fibrosis and FoxO1 activity. A non-genetic murine model for NAFLD was developed by chronic high fat diet (HFD) (58% calories from fats) feeding in Wistar rats. The plasma biochemical parameters, liver function tests, oxidative stress, and histopathological alterations were assessed. The alterations in extracellular matrix (ECM) deposition and FoxO1 activity were assessed by immunohistochemistry. The aberrations in plasma parameters, liver functioning, morphometric and microscopic changes in liver structure of HFD fed rats were significantly improved by treatment with Esculetin. Liver fibrosis, identified in the form of collagen deposition and expression of fibrotic proteins like TGF-β1 and fibronectin was also markedly controlled by Esculetin. The expression of phospho-FoxO1 was found to be reduced in HFD fed rats' liver, showing an increase in activation of FoxO1 under insulin resistant and hyperglycemic states. Esculetin treatment could improve phospho-FoxO1 expression, thus showing its ability to act on Akt/PI3K/FoxO1 pathway. As per the previous studies, a potential therapy for NAFLD may be the one with multi-faceted actions on insulin resistance, oxidative stress, inflammation and fibrosis. This study demonstrates the efficiency of Esculetin in improving liver fibrosis in HFD induced NAFLD.

Direct measurement of sequence-dependent transition path times and conformational diffusion in DNA duplex formation

The conformational diffusion coefficient, D, sets the timescale for microscopic structural changes during folding transitions in biomolecules like nucleic acids and proteins. D encodes significant information about the folding dynamics such as the roughness of the energy landscape governing the folding and the level of internal friction in the molecule, but it is challenging to measure. The most sensitive measure of D is the time required to cross the energy barrier that dominates folding kinetics, known as the transition path time. To investigate the sequence dependence of D in DNA duplex formation, we measured individual transition paths from equilibrium folding trajectories of single DNA hairpins held under tension in high-resolution optical tweezers. Studying hairpins with the same helix length but with G:C base-pair content varying from 0 to 100%, we determined both the average time to cross the transition paths, τtp, and the distribution of individual transit times, PTP(t). We then estimated D from both τtp and PTP(t) from theories assuming one-dimensional diffusive motion over a harmonic barrier. τtp decreased roughly linearly with the G:C content of the hairpin helix, being 50% longer for hairpins with only A:T base pairs than for those with only G:C base pairs. Conversely, D increased linearly with helix G:C content, roughly doubling as the G:C content increased from 0 to 100%. These results reveal that G:C base pairs form faster than A:T base pairs because of faster conformational diffusion, possibly reflecting lower torsional barriers, and demonstrate the power of transition path measurements for elucidating the microscopic determinants of folding.

Microscopic origin of ultra-low friction coefficient between the wear track formed on carbon nitride coating and transfer layer on sliding ball in friction tests under dry N2

Carbon nitride (CNx) coatings have been found to exhibit an ultra-low friction coefficient (less than 0.01) after repeated sliding against a silicon nitride (Si3N4) ball in a dry nitrogen gas (N2) atmosphere. However, the mechanism for this has not yet been fully elucidated with respect to analyzing changes in the space structure of CNx. In the present study, we examined the microscopic structural changes in the near-surface structural transition layers of the wear track in the CNx coating and the transfer layer of the Si3N4 ball, using scanning transmission electron microscopy and electron energy-loss spectroscopy. We investigated the nitrogen concentration, density, and curvature of fragmented graphitic planes in the structural transition layers of both the CNx coating and the transfer layer of the Si3N4 ball by analyzing the plasmon peak and carbon K-edge. In addition, we theoretically examined the chemical bonding states of nitrogen doping in various model clusters using an ab initio molecular orbital method to clarify the role of nitrogen in the ultra-low friction behavior. The mechanism behind the ultra-low friction behavior is explained by nano-graphitization of the fragmented carbon structure with optimal nitrogen concentration passivating the contacting counter surfaces of the coating and ball formed during sliding.

Study on characteristics of microwave melting of copper powder

Microwave heating has been widely used because of its advantages of higher heating rate, energy efficiency and clean utilization. This paper describes the study carried out on the characteristics of microwave melting of metallic copper powders, and a quantitative description of the heating curve of the copper powders in microwave field is given. The changes in microscopic structure and densification during the process of heating to melting of copper powder with microwave is assessed. The result demonstrated that copper powders could be quickly heated to melting. Heating rate for powdered copper of particle size 25 μm is 25.6 °C/min. Microwave heating efficiency and the heating rate were found to be higher with the decrease in the particle size and increase in microwave power. And also the heating rate had a linear relationship with the reciprocal of the particle size. Microstructure and density indicates that the densification process accelerates when the temperature is above 900 °C, and all the copper particles are heated to melting and shrinkage. At lower temperature the migration of the matter for copper particles is mainly internal diffusion. While the temperature above 1083 °C, among copper particles will be form metallurgical bonding, and the melting process complete quickly.

Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities

The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class of materials is, however, there are limitations associated with its poor long-term stability, non-optimal band gap, presence of environmentally-toxic Pb element, etc. We herein apply a functionality-directed theoretical materials selection approach as a filter for initial screening of the compounds that satisfy the desired intrinsic photovoltaic functionalities and might overcome the above limitations. First-principles calculations are employed to systemically study thermodynamic stability and photovoltaic-related properties of hundred of candidate hybrid perovskites. We have identified in this materials selection process fourteen Ge and Sn-based materials with potential superior bulk-material-intrinsic photovoltaic performance. A distinct class of compounds containing NH3COH$^+$ with the organic molecule derived states intriguingly emerging at band-edges is found. Comparison of various candidate materials offers insights on how composition variation and microscopic structural changes affect key photovoltaic relevant properties in this family of materials.

Preclinical study of “Microfit” probiotic preparation influence on internals of laboratory rats

Histologic research is one of the most reliable methods of diagnosis of pathologies of organs and tissues. This method allows estimating both macroscopic and microscopic structural changes in organs and tissues of animals. Data obtained in the course of the pathomorphological research have fundamental value for studying toxic influence of preparations at the stage of preclinical research. Results of histologic structure of internals and tissues of laboratory Sprague Dawley rats are presented in this article. As a result of experiments it has been established that no side effects have been revealed at preparation administration toanimals. “Microfit” biological preparation exerted no negative impact on functional activity of internals of an organism of rats, caused no allergic reactions. The macroscopic research of internals of all experimental animals revealed no pathology after autopsy. Pathomorphological research of the main organs and tissues confirms safety of the structure of tissues. Following the research results, within one month (30 days) of administration of the biological preparation, it has been established that in case of course intragastric administration of “Microfit” preparation to white Sprague Dawley rats in a conditional-therapeutic dose (30 mg/kg) and a dose exceeding the conditional-therapeutic dose by 10 times (300 mg/kg), the preparation has no toxic effect on condition of internals and tissues.

Three-dimensional Morphology and X-ray Scattering Structure of Aqueous tert-Butanol Mixtures: A Molecular Dynamics Study

It is well established that water-alcohol mixtures exhibit anomalous properties at very low as well as at very high alcohol concentrations. Almost all the studies in this regard intend to link these anomalies to the microscopic structural changes as water (or alcohol) concentration increases in the mixture. However, it is important to note that the nature of these structural changes could be different at the water- and TBA-rich concentrations. In this article, our goal is to address such structural change overs, if really present, in the mixtures of water and tert-butanol (TBA) by using simulated X-ray scattering structure function, S(q), real space radial and spatial distribution functions and heterogeneity order parameter. By using a judicial partitioning scheme, we show that structural characteristic of pure water is qualitatively retained for X TBA < 0.1. The simulated S(q) peaks at around q = 2 and q = 2.8 Å−1, which correspond to water oxygen correlations, begin to fade away only after X TBA ≥ 0.1. This is a clear indication of microscopic structural transition at X TBA ≈ 0.1. Beyond X TBA = 0.1, the TBA structural features begin to take over to that of water. The peak at q =1.3 Å−1 which primarily corresponds to nonpolar-nonpolar correlations in pure TBA begin to rise at X TBA ≈ 0.1. However, the pre-peak at around q = 0.75 Å−1, which is due to polar-polar and nonpolar-polar correlations in pure TBA, seems to appear at lower q value only at the equi-molar concentration of the mixture. From the solvent cage surrounding the TBA molecules, we observe that while the aggregation of TBA alkyl groups, due to hydrophobic interaction, is maximum at 10% TBA, the intervening hydrogen bonding interactions between water and TBA molecules tend to lower the hydrophobic interactions between the alkyl groups of alcohol with increasing concentration of TBA. In addition to this, we also observe dimers and small clusters of water molecules in the TBA-rich regime. The computed heterogeneity order parameters for the individual components of the mixture reveal enhanced non-uniform distribution of the TBA molecules near X TBA≈ 0.1 to 0.3. These results are also supported by the radial distribution functions and nearest neighbour coordination numbers of water and TBA oxygen atoms around TBA oxygen.

Optimization of biological pretreatment to enhance the quality of wheat straw pellets

Pelleting increases the efficiency of handling and transportation of biomass for conversion into biofuels either through biochemical or thermochemical process. Pretreatment of biomass makes lignin fragments accessible by disrupting the lignocellulosic structure, and ensures the production of high-quality pellets. In this study, biological pretreatment using solid-state fermentation (SSF) was investigated as a means to improve the quality of pellets produced from wheat straw. SSF of wheat straw using Trametes versicolor 52J (TV52J), T. versicolor m4D (TVm4D) and Phanerochaete chrysosporium (PC) were conducted. Response surface methodology was employed by using a four-factor, three-level Box-Behnken design with moisture content (% mass fraction of water), hammer mill screen size used for chopping wheat straw (mm), fermentation time (days) and fermentation temperature (°C) as process parameters. Pellet density, dimensional stability and tensile strength were the response variables. The fermentation temperature significantly affected all the responses. The optimization options of moisture content (70% mass fraction of water), hammer mill screen size (50–52.8 mm) and fermentation temperature (22–22.1 °C) of wheat straw with pretreatment using the three fungal strains were very similar. The optimized fermentation time of wheat straw pretreated with PC was the longest at 35 days; the shortest at 21 days was for wheat straw pretreated with TV52J. The microscopic structural changes induced by microbial pretreatment were examined by scanning electron microscopy (SEM). Results showed that the combination between single fibers became relatively loose, and the connection was never tight which was advantageous to improve the physical quality of the compressed pellets.

Preferential Ionic Interactions and Microscopic Structural Changes Drive Nonideality in Binary Ionic Liquid Mixtures as Revealed from Molecular Simulations

Thermophysical and structural properties of two binary mixtures of ionic liquids were determined in this study using molecular dynamics simulations at 353 K. The mixtures contains common cation and different anions, combining 1-n-butyl-3-methylimidazolium [C4mim]+ chloride [Cl]− with two other ionic liquids, namely, [C4mim]+ methylsulfate [MeSO4]− and [C4mim]+ bis(trifluoromethanesulfonyl)imide [NTf2]−. Each mixture was characterized in terms of thermodynamic quantities such as densities and excess molar volumes and transport properties specifically self-diffusion coefficients and ionic conductivities, using seven molar compositions (0:00, 10:90, 25:75, 50:50, 75:25, 90:10, 100:0). Excess molar volumes for the two binary ionic liquid mixtures exhibited small deviations from ideality; the Cl-[MeSO4] system showed negative deviation while positive deviation was observed for the Cl-[NTf2] system. Structural analysis elucidated in terms of radial distribution functions, orientations of the anions around catio...

Mandibular Bone Mineral Density to predict Skeletal Osteoporosis: A Literature Review

AbstractUntil and unless the disease is recognized as a disease entity, a little progress has been made in understanding its etiology and in developing a predictable treatment planning, restoration, and prevention of the tissues. In a process carried out to study a disease entity, whether it be cardiac disease, dental caries, or periodontal disease, it is helpful to study its pathology (the gross and microscopic structural changes of the disease), its pathophysiology (the mechanisms or disordered functions of the disease), its pathogenesis (the life history), and its epidemiology (the worldwide prevalence of the disease and various interrelated factors). The ultimate aim of such researches is the better understanding of the etiology and pathogenesis of the disease, and thereby with such understanding leading to a predictable treatment planning and ultimately the prevention or control of these factors. Osteoporosis is a major health entity affecting the elderly population and thereby resulting in approximately 1.3 million spontaneous fractures in the USA every year. The above clinical condition is a deficiency of bone mass, or skeletal osteopenia, to that level where bone cannot provide adequate mechanical support. Many of the reported studies used inadequate measures of both skeletal and mandibular bone in evaluating their possible relationships. This literature review attempts to determine relationships between the total skeletal bone mass and bone mass of the mandible in the population suffering with osteoporosis.

Concentration-dependent structure and dynamics of aqueous LiCl solutions: A molecular dynamics study

Herein we employ molecular dynamics simulation technique to appreciate the microscopic structural and dynamic changes in the aqueous solution of LiCl when the electrolyte concentration is varied from dilute to high concentration. As a function of the LiCl concentration, we connect changes in the local order, entropy and transport properties and intend to relate them with experimentally determined phase diagram and the glass forming regime of the solution. We observe that a pronounced monotonic decrease in diffusivities of water, Li+ and Cl− is accompanied by an increase in the viscosity with increasing LiCl concentration that marks out a low-mobility regime in approximate agreement with the experimental glass-forming composition region. The fractional Stokes-Einstein relation is obeyed in the temperature regime studied here. The ionic conductivity shows a non-monotonic dependence on composition and pronounced negative deviations from the Nernst-Einstein relation are notable in the glass-forming regime. The breakdown of the hydrogen-bonded network of water as a function of the LiCl concentration along various isotherms is clearly indicated by the tetrahedral order parameter distributions, ensemble-averaged tetrahedral order (⟨qtet⟩) and triplet correlation functions. Further insights into the changes in the structure of the aqueous solution with increasing LiCl concentration is provided using radial distribution functions (RDFs) and corresponding coordination numbers. A useful connection between the structure and thermodynamics is provided by the pair entropy, computed from the atomic pair RDFs. We anticipate that these structure-thermodynamic-transport relations to be qualitatively the same for other alkali halide-water systems. Similarities and differences with binary ionic melts, e.g. LiF-BeF2, MgO-SiO2, with tunable tetrahedrality are also discussed.