Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of pressure on the stability, phase behaviour and transformation kinetics between structures of lyotropic lipid mesophases and model membrane systems

Lipids, which provide valuable model systems for membranes, display a variety of polymorphic phases, depending on their molecular structure and environmental conditions. By use of x-ray and neutron diffraction, infrared spectroscopy and calorimetry, the temperature and pressure dependent structure and phase behaviour of several lipid systems, differing in chain configuration and headgroup structure, have been studied. Besides lamellar phases also non-lamellar phases, such as the inverted hexagonal phase and bicontinuous cubic phases, have been investigated. Hydrostatic pressure has been used as a physical parameter for studying the stability and energetics of lyotropic mesophases, but also because high pressure is an important feature of certain natural membrane environments (e.g., marine biotopes) and because the high-pressure phase behaviour of biomolecules is of biotechnological interest. Neutron scattering in combination with the H/D contrast variation technique has been used to the study of lateral organization of phase-separated binary lipid mixtures with distinct mixing properties. Within their two-phase coexistence regions large-scale concentration fluctuations appear, and the morphology of these fluctuations can be characterized as a complex heterogeneous system of coexisting clusters having fractal-like properties. By using the pressure-jump relaxation technique in combination with time-resolved synchrotron x-ray diffraction, the kinetics of different lipid phase transformations were also investigated. The time constants for completion of the transitions are dependent on the direction of the transition, the symmetry and topology of the structures involved, and also on the pressure-jump amplitude. In several cases also intermediate structures can be detected under non-equilibrium conditions.
Raman Spectroscopy of Biological Tissues

Abstract We previously published a comprehensive review paper reviewing the Raman spectroscopy of biological molecules. This research area has expanded rapidly, which warranted an update to the existing review paper by adding the recently reported studies in literature. This article reviews some of the recent advances of Raman spectroscopy in relation to biomedical applications starting from natural tissues to cancer biology. Raman spectroscopy, an optical molecular detective, is a vibrational spectroscopic technique that has potential not only in cancer diagnosis but also in understanding progression of the disease. This article summarizes some of the most widely observed peak frequencies and their assignments. The aim of this review is to develop a database of molecular fingerprints, which will facilitate researchers in identifying the chemical structure of the biological tissues including most of the significant peaks reported both in the normal and cancerous tissues. It has covered a variety of Raman approaches and its quantitative and qualitative biochemical information. In addition, it covers the use of Raman spectroscopy to analyse a variety of different malignancies including breast, brain, cervical, gastrointestinal, lung, oral, and skin cancer. Multivariate analysis approaches used in these studies have also been covered.
HUMIC-LIKE SUBSTANCES IN AIR POLLUTION PARTICULATES CORRELATE WITH CONCENTRATIONS OF TRANSITION METALS AND OXIDANT GENERATION

AbstractWe tested the hypotheses that (1) an incomplete oxidation of carbon-based fossil fuels during their combustion produces humic-like substances (HIS), which can be present in air pollution particulates and confer a capacity to complex metals; (2) air pollution particulates collected on PM10 filters can be associated with concentrations of first-row transition metals; (3) particulates can catalyze the production of free radicals by cycling these transition metals through two stable valence states; and (4) concentrations of transition metals and oxidant generation by air pollution particulates increase with the content of HLS associated with these particles. HLS were isolated by alkali extraction. The content of these substances in combustion products of coal, diesel, oil, and wood was 3.1 ± 0.8%, 4.7 ± 1.0%, 1.0 ± 0.1%, and 8.2 ± 0.6%, respectively. Similarly, filters with sequestered air pollution particulates contained HLS ranging from 0.0 to 7.1%. Elemental analysis of these materials isolated fro.
Electrochemical Properties of Hydroxyapatite Crystal Surfaces on Anatase Photocatalysts

Hydroxyapatite (HAp) was crystallized on anatase titanium dioxide (TiO2) photocatalytic crystals or their thin films using of a pseudo-body solution method, and electrochemical properties of the HAp-adhered anatase TiO2 photocatalytic surfaces were discussed. Decomposition rates of methylene blue were faster for the HAp-adhered anatase TiO2 photocatalysts, although specific surface areas were smaller than those for the commercial anatase TiO2 ones. Surface potential dispersions on the HAp-adhered anatase TiO2 thin films before and after an ultraviolet light irradiation were measured by an atomic force microscopy. Changes in the color of leucocrystalviolet mixed in the HAp-adhered anatase TiO2 photocatalysts or the commercial anatase TiO2 ones with experimental durations were compared. Movements of electrons from the anatase TiO2 photocatalytic surfaces to the HAp, crystals and oxidizing reactions on the HAp-adhered anatase TiO2 photocatalytic surfaces in the dark were discussed on the basis of these experimental results.
Facile Coating of Poly(3,4-ethylenedioxythiophene) on Manganese Dioxide by Galvanic Displacement Reaction and Its Electrochemical Properties for Electrochemical Capacitors

Poly(3,4-ethylenedioxythiophene) coated Manganese Dioxide (PEDOT/) composite electrode was fabricated by simply immersing the electrode in an acidic aqueous solution containing 3,4-ethylenedioxythiophene (EDOT) monomers. Analysis of open-circuit potential of the electrode in the solution indicates the reduction of outer surface of to dissolved ions and simultaneously oxidation of EDOT monomer to PEDOT on the surface to form a PEDOT shell via a galvanic displacement reaction. Analysis of cyclic voltammograms and specific capacitance of the PEDOT/, conductive carbon added and conductive carbon added PEDOT/ electrodes suggests that the conductive carbon acted mainly to provide a continuous conducting path in the electrode to improve the rate capability and the PEDOT layer on acts to increase the active reaction site of .
Targeted single-cell gene induction by optimizing the dually regulated CRE/loxP system by a newly defined heat-shock promoter and the steroid hormone in Arabidopsis thaliana

Multicellular organisms rely on intercellular communication systems to organize their cellular functions. In studies focusing on intercellular communication, the key experimental techniques include the generation of chimeric tissue using transgenic DNA recombination systems represented by the CRE/loxP system. If an experimental system enables the induction of chimeras at highly targeted cell(s), it will facilitate the reproducibility and precision of experiments. However, multiple technical limitations have made this challenging. The stochastic nature of DNA recombination events, especially, hampers reproducible generation of intended chimeric patterns. Infrared laser-evoked gene operator (IR-LEGO), a microscopic system that irradiates targeted cells using an IR laser, can induce heat shock-mediated expression of transgenes, for example, CRE recombinase gene, in the cells. In this study, we developed a method that induces CRE/loxP recombination in the target cell(s) of plant roots and leaves in a highly specific manner. We combined IR-LEGO, an improved heat-shock-specific promoter, and dexamethasone-dependent regulation of CRE. The optimal IR-laser power and irradiation duration were estimated via exhaustive irradiation trials and subsequent statistical modeling. Under optimized conditions, CRE/loxP recombination was efficiently induced without cellular damage. We also found that the induction efficiency varied among tissue types and cellular sizes. The developed method offers an experimental system to generate a precisely designed chimeric tissue, and thus, will be useful for analyzing intercellular communication at high resolution in roots and leaves.
RELATIVE RATES OF COKE FORMATION FROM HYDROCARBONS IN STEAM CRACKING OF NAPHTHA .3. AROMATIC-HYDROCARBONS.

Relative rate constants of coke formation (k) from 18 aromatic hydrocarbons during steam cracking of naphtha at 810 C were determined by application of [sup 14]C-labeled compounds. Benzene is a poor coke precursor (k = 0.3), whereas polycyclic structures like acenaphthylene, anthracene, and chrysene have a high coking potential in the pyrolysis reactor (k = 4.5--6) as well as in the TLE section (k = 12--30). The relation between structure and coke formation rate of aromatic hydrocarbons can be interpreted on the basis of their reactivity in radical reactions. Constituents of the fuel fraction ([ge] C[sub 9]) derived from nonaromatic feed components are more efficient in the TLE fouling than those stemming from benzene derivatives.
Electron densities of several small molecules as calculated from density functional theory

The electron densities of CH3F, CO, CO2, H2CO, H2O, HCN, HF, and NH3 have been calculated by density functional theory (DFT) methods with various exchange and correlation functionals and are compared with QCISD (quadratic configuration interaction method including single and double substitutions) results. The DFT methods yield electron densities and Laplacians of the densities in good agreement with the QCISD results. As expected, the gradient-corrected functionals including B3LYP, B3P86, BP86, and BLYP improve the densities calculated by the local spin density approximation relative to the corresponding QCISD densities. Relative to his 1988 functional, Becke's three-parameter exchange functional clearly improves the results for equilibrium geometries, vibrational frequencies, dipole moments, and electron densities. For all gradient-corrected functionals, the results are generally insensitive to the numerical accuracy of the grid. The basis set, however, has a significant effect on the electron density, w.
Robust, precise, high-resolution Fourier transform Raman spectrometer

A robust, flexible Fourier transform Raman spectrometer (FT-Raman) based on a Michelson interferometer and a self-made photon counter is presented. The proposed inexpensive setup has no complex hardware or control systems for optical path compensation. The mechanical and thermal induced errors are mathematically compensated by extracting the optical path information from the generated interference pattern of a λ = 632.8nm Helium-Neon laser (HeNe laser). This information also permits high frequency precision of the calculated Raman spectrum. This system is flexible and allows the user having complete access to hardware and software. It enables a variety of experimental changes in the system, which are difficult to achieve with commercial devices. Precise, high resolution Raman spectra of cyclohexane with a resolution of 1.66 cm-1 to 5.0cm-1 have been measured with this device. Higher resolution values can be achieved since longer scanning distances at the Michelson interferometer are possible and its calculated ´etendue (throughput) does not substantially corrupt the obtained interferograms. Other chemical compounds have been also monitored. Additionally, a detailed spectral analysis of different precision optical components and light sources has been performed.
Healthcare Service Usage and Costs for Elderly Patients with Obstructive Lung Disease

Background The worldwide prevalence of obstructive lung disease (OLD) is increasing, especially among people >65 years old, and nearly three in four adults with OLD have two or more comorbid conditions. This study describes the impact of such comorbidities on the healthcare service usage and related costs in a country with universal health coverage, basing on a large cohort of elderly patients with OLD and employing real-world data. Methods We carried out a retrospective cohort study on a large population of elderly (age >64 years) patients with OLD served by a Local Health Unit in northern Italy. Their comorbidities were assessed using the clinical diagnoses assigned by the Adjusted Clinical Group (ACG) system to individual patients by combining different information flows. Correlations between number of comorbidities and total annual healthcare service usage and costs were examined with Spearman’s test. Regression models were applied to analyze the associations between the above-mentioned variables, adjusting for age and sex. Results All types of healthcare service usage (access to emergency care; number of outpatient visits; number of hospital admissions) and pharmacy costs increased significantly with the number of comorbidities. Average total annual costs increased steadily with the number of comorbidities, ranging from € 1158.84 with no comorbidities up to € 9666.60 with 6 comorbidities or more. Poisson regression analyses showed an independent association between the number of comorbidities and the use of every type of healthcare service. Conclusion These results based on real-world data provide evidence that the burden of care for OLD patients related to their comorbidities is independent of and in addition to the burden related to OLD alone and is strongly dependent on the number of comorbidities, suggesting a holistic approach to multimorbid patients with OLD is the most sound public health strategy.
Dimethyl Fumarate Attenuates Lung Inflammation and Oxidative Stress Induced by Chronic Exposure to Diesel Exhaust Particles in Mice

Air pollution is mainly caused by burning of fossil fuels, such as diesel, and is associated with increased morbidity and mortality due to adverse health effects induced by inflammation and oxidative stress. Dimethyl fumarate (DMF) is a fumaric acid ester and acts as an antioxidant and anti-inflammatory agent. We investigated the potential therapeutic effects of DMF on pulmonary damage caused by chronic exposure to diesel exhaust particles (DEPs). Mice were challenged with DEPs (30 μg per mice) by intranasal instillation for 60 consecutive days. After the first 30 days, the animals were treated daily with 30 mg/kg of DMF by gavage for the remainder of the experimental period. We demonstrated a reduction in total inflammatory cell number in the bronchoalveolar lavage (BAL) of mice subjected to DEP + DMF as compared to those exposed to DEPs alone. Importantly, DMF treatment was able to reduce lung injury caused by DEP exposure. Intracellular total reactive oxygen species (ROS), peroxynitrite (OONO), and nitric oxide (NO) levels were significantly lower in the DEP + DMF than in the DEP group. In addition, DMF treatment reduced the protein expression of kelch-like ECH-associated protein 1 (Keap-1) in lung lysates from DEP-exposed mice, whereas total nuclear factor κB (NF-κB) p65 expression was decreased below baseline in the DEP + DMF group compared to both the control and DEP groups. Lastly, DMF markedly reduced DEP-induced expression of nitrotyrosine, glutathione peroxidase-1/2 (Gpx-1/2), and catalase in mouse lungs. In summary, DMF treatment effectively reduced lung injury, inflammation, and oxidative and nitrosative stress induced by chronic DEP exposure. Consequently, it may lead to new therapies to diminish lung injury caused by air pollutants.
Computerized Eye-Tracking Training Improves the Saccadic Eye Movements of Children with Attention-Deficit/Hyperactivity Disorder

Abnormal saccadic eye movements, such as longer anti-saccade latency and lower pro-saccade accuracy, are common in children with attention-deficit/hyperactivity disorder (ADHD). The present study aimed to investigate the effectiveness of computerized eye-tracking training on improving saccadic eye movements in children with ADHD. Eighteen children with ADHD (mean age = 8.8 years, 10 males) were recruited and assigned to either the experimental (n = 9) or control group (n = 9). The experimental group underwent an accumulated 240 min of eye-tracking training within two weeks, whereas the control group engaged in web game playing for the same amount of time. Saccadic performances were assessed using the anti- and pro-saccade tasks before and after training. Compared to the baseline, only the children who underwent the eye-tracking training showed significant improvements in saccade latency and accuracy in the anti- and pro-saccade tasks, respectively. In contrast, the control group exhibited no significant changes. These preliminary findings support the use of eye-tracking training as a safe non-pharmacological intervention for improving the saccadic eye movements of children with ADHD.
In Vivo Evaluation of a Subcutaneously Injectable Implant with a Low-Power Photoplethysmography ASIC for Animal Monitoring

Photoplethysmography is an extensively-used, portable, and noninvasive technique for measuring vital parameters such as heart rate, respiration rate, and blood pressure. The deployment of this technology in veterinary medicine has been hindered by the challenges in effective transmission of light presented by the thick layer of skin and fur of the animal. We propose an injectable capsule system to circumvent these limitations by accessing the subcutaneous tissue to enable reliable signal acquisition even with lower light brightness. In addition to the reduction of power usage, the injection of the capsule offers a less invasive alternative to surgical implantation. Our current prototype combines two application-specific integrated circuits (ASICs) with a microcontroller and interfaces with a commercial light emitting diode (LED) and photodetector pair. These ASICs implement a signal-conditioning analog front end circuit and a frequency-shift keying (FSK) transmitter respectively. The small footprint of the ASICs is the key in the integration of the complete system inside a 40-mm long glass tube with an inner diameter of 4 mm, which enables its injection using a custom syringe similar to the ones used with microchip implants for animal identification. The recorded data is transferred wirelessly to a computer for post-processing by means of the integrated FSK transmitter and a software-defined radio. Our optimized LED duty cycle of 0.4% at a sampling rate of 200 Hz minimizes the contribution of the LED driver (only 0.8 mW including the front-end circuitry) to the total power consumption of the system. This will allow longer recording periods between the charging cycles of the batteries, which is critical given the very limited space inside the capsule. In this work, we demonstrate the wireless operation of the injectable system with a human subject holding the sensor between the fingers and the in vivo functionality of the subcutaneous sensing on a pilot study performed on anesthetized rat subjects.
Interaction between GRP78 and IGFBP-3 Affects Tumourigenesis and Prognosis in Breast Cancer Patients

Simple Summary We investigated the clinical significance of a recently identified association between insulin-like growth factor binding protein 3 (IGFBP-3), that plays a key role in breast cancer progression, and glucose-regulated protein 78 (GRP78). We report a direct correlation between the expression of GRP78 and IGFBP-3 in breast cancer cell lines and tumour sections. Kaplan–Meier survival plots revealed that patients with low GRP78 expression that are positive for IGFBP-3 had poorer survival rates than those with low IGFBP-3 levels. With breast cancer cells we showed that knock-down of GRP78 negated the entry of IGFBP-3 into the cells and this switched the action of IGFBP-3 from promoting to inhibiting cell death. Together, our data suggest that loss of GRP78 reduces IGFBP-3 entry into cells switching its actions to promote tumorigenesis and predicts a poor prognosis in breast cancer patients. Abstract Insulin-like growth factor binding protein 3 (IGFBP-3) plays a key role in breast cancer progression and was recently shown to bind to the chaperone protein glucose-regulated protein 78 (GRP78); however, the clinical significance of this association remains poorly investigated. Here we report a direct correlation between the expression of GRP78 and IGFBP-3 in breast cancer cell lines and tumour sections. Kaplan–Meier survival plots revealed that patients with low GRP78 expression that are positive for IGFBP-3 had poorer survival rates than those with low IGFBP-3 levels, and we observed a similar trend in the publicly available METABRIC gene expression database. With breast cancer cells, in vitro IGFBP-3 enhanced induced apoptosis, however when GRP78 expression was silenced the actions of IGFBP-3 were switched from increasing to inhibiting ceramide (C2)-induced cell death and promoted cell invasion. Using immunofluorescence and cell surface biotinylation, we showed that knock-down of GRP78 negated the entry of IGFBP-3 into the cells. Together, our clinical and experimental results suggest that loss of GRP78 reduces IGFBP-3 entry into cells switching its actions to promote tumorigenesis and predicts a poor prognosis in breast cancer patients.
Structure-to-Efficacy Relationship of HPMA-Based Nanomedicines: The Tumor Spheroid Penetration Study

Nanomedicines are a novel class of therapeutics that benefit from the nano dimensions of the drug carrier. These nanosystems are highly advantageous mainly within cancer treatment due to their enhanced tumor accumulation. Monolayer tumor cells frequently used in routine preclinical assessment of nanotherapeutics do not have a spatial structural architecture that allows the investigation of the penetration of nanomedicines to predict their behavior in real tumor tissue. Therefore, tumor spheroids from colon carcinoma C26 cells and glioblastoma U87-MG cells were used as 3D in vitro models to analyze the effect of the inner structure, hydrodynamic size, dispersity, and biodegradability of N-(2-hydroxypropyl)methacrylamide (HPMA) copolymer-based nanomedicines carrying anticancer drug pirarubicin (THP) on the penetration within spheroids. While almost identical penetration through spheroids of linear and star-like copolymers and also their conjugates with THP was observed, THP penetration after nanomedicines application was considerably deeper than for the free THP, thus proving the benefit of polymer carriers. The cytotoxicity of THP-polymer nanomedicines against tumor cell spheroids was almost identical as for the free THP, whereas the 2D cell cytotoxicity of these nanomedicines is usually lower. The nanomedicines thus proved the enhanced efficacy within the more realistic 3D tumor cell spheroid system.
Langmuir-Blodgett layers from Schiff base copper(II) complexes

Metal complexes of salicylideneamines exhibit very interesting properties and have been well characterized since the late 1920s. Amphiphilic salicylideneamines have been synthesized in order to introduce such complexes in Langmuir−Blodgett multilayers. They do not hydrolyze under the applied experimental conditions and form stable monolayers. On subphases containing transition metal ions, these compounds form square-planar metal complexes by an interfacial reaction. Monolayers of these complexes have been transferred onto solid substrates to prepare Langmuir−Blodgett multilayers. Spectroscopic measurements with polarized light indicate an orientation of the complex plane nearly parallel to the substrate surface. In addition, monolayer experiments with presynthesized amphiphilic metal complexes have been carried out. Available hydroxyl groups in such complexes may be exploited to construct aggregates due to the ability of the molecules to form intermolecular bonds. Monolayers of these aggregates have also .