Lindseychoi8188

Photocatalytic mechanism investigations on compounds 2 and 3 show that h+ hole and ·O2- radical play major roles in the CV degradation, respectively.We present an efficient method to evaluate Coulomb potential matrices using the resolution of identity approximation and semilocal exchange-correlation potentials on central (CPU) and graphics processing units (GPU). The new GPU-based RI-algorithm shows a high performance and ensures the favorable scaling with increasing basis set size as the conventional CPU-based method. Furthermore, our method is based on the J-engine algorithm [White; , Head-Gordon, J. Chem. Phys. 1996, 7, 2620], which allows for further optimizations that also provide a significant improvement of the corresponding CPU-based algorithm. Due to the increased performance for the Coulomb evaluation, the calculation of the exchange-correlation potential of density functional theory on CPUs quickly becomes a bottleneck to the overall computational time. Hence, we also present a GPU-based algorithm to evaluate the exchange-correlation terms, which results in an overall high-performance method for density functional calculations. The algorithms to evaluate the potential and nuclear derivative terms are discussed, and their performance on CPUs and GPUs is demonstrated for illustrative calculations.Polymers are stochastic materials that represent distributions of different molecules. In general, to quantify the distribution, polymer researchers rely on a series of chemical characterizations that each reveal partial information on the distribution. However, in practice, the exact set of characterizations that are carried out, as well as how the characterization data are aggregated and reported, is largely nonstandard across the polymer community. This scenario makes polymer characterization data highly disparate, thereby significantly slowing down the development of polymer informatics. In this work, a proposal on how structural characterization data can be organized is presented. To ensure that the system can apply universally across the entire polymer community, the proposed schema, PolyDAT, is designed to embody a minimal congruent set of vocabulary that is common across different domains. Unlike most chemical schemas, where only data pertinent to the species of interest are included, PolyDAT deploys a multi-species reaction network construct, in which every characterization on relevant species is collected to provide the most comprehensive profile on the polymer species of interest. Instead of maintaining a comprehensive list of available characterization techniques, PolyDAT provides a handful of generic templates, which align closely with experimental conventions and cover most types of common characterization techniques. This allows flexibility for the development and inclusion of new measurement methods. By providing a standard format to digitalize data, PolyDAT serves not only as an extension to BigSMILES that provides the necessary quantitative information but also as a standard channel for researchers to share polymer characterization data.We investigated the pressure dependence of electric transport in a superconducting sample, Ba0.77Na0.23Ti2Sb2O, to complete the phase diagram of superconducting transition temperature (Tc) against pressure (p). This superconducting sample exhibits a Tc value of 5.8 K at ambient pressure. Here, the superconductivity of the recently reported sample was investigated over a wide pressure range. The Tc value monotonously decreased with pressure below 8 GPa. Interestingly, the Tc value rapidly increased above 8 GPa and slowly declined with pressure above 11 GPa. Thus, a new superconducting phase was discovered above ∼9 GPa. The crystal structure of Ba0.77Na0.23Ti2Sb2O was also elucidated at 0-22.0 GPa with synchrotron X-ray powder diffraction. Consequently, an evident relation between the crystal structure and the superconductivity was revealed, namely, a clear structural phase transition was observed at 8-11 GPa, where the Tc value rapidly increased against pressure. This study provides detailed information on the superconductivity of Ba0.77Na0.23Ti2Sb2O under pressure, which will lead to a comprehensive understanding of pressure-driven superconductivity.The autoxidation of triglyceride (or triacylglycerol, TAG) is a poorly understood complex system. It is known from mass spectrometry measurements that, although initiated by a single molecule, this system involves an abundance of intermediate species and a complex network of reactions. For this reason, the attribution of the mass peaks to exact molecular structures is difficult without additional information about the system. We provide such information using a graph theory-based algorithm. Our algorithm performs an automatic discovery of the chemical reaction network that is responsible for the complexity of the mass spectra in drying oils. This knowledge is then applied to match experimentally measured mass spectra with computationally predicted molecular graphs. We demonstrate this methodology on the autoxidation of triolein as measured by electrospray ionization-mass spectrometry (ESI-MS). Our protocol can be readily applied to investigate other oils and their mixtures.The development of high-fidelity mechanisms for chemically reactive systems is a challenging process that requires the compilation of rate descriptions for a large and somewhat ill-defined set of reactions. The present unified combination of modeling, experiment, and theory provides a paradigm for improving such mechanism development efforts. Here we combine broadband rotational spectroscopy with detailed chemical modeling based on rate constants obtained from automated ab initio transition state theory-based master equation calculations and high-level thermochemical parametrizations. Broadband rotational spectroscopy offers quantitative and isomer-specific detection by which branching ratios of polar reaction products may be obtained. Using this technique, we observe and characterize products arising from H atom substitution reactions in the flash pyrolysis of acetone (CH3C(O)CH3) at a nominal temperature of 1800 K. The major product observed is ketene (CH2CO). Minor products identified include acetaldehyde (CH3CHO), propyne (CH3CCH), propene (CH2CHCH3), and water (HDO). Literature mechanisms for the pyrolysis of acetone do not adequately describe the minor products. The inclusion of a variety of substitution reactions, with rate constants and thermochemistry obtained from automated ab initio kinetics predictions and Active Thermochemical Tables analyses, demonstrates an important role for such processes. The pathway to acetaldehyde is shown to be a direct result of substitution of acetone's methyl group by a free H atom, while propene formation arises from OH substitution in the enol form of acetone by a free H atom.Although many strategies have been used to help design effective near-infrared (NIR) luminescent materials, it is still a huge challenge to realize long-wavelength NIR luminescence of diimineplatinum(II) complexes in the solid state. Herein, we have successfully achieved long-wavelength NIR luminescence of a family of diimineplatinum(II) complexes based on a new strategy that combines a one-dimensional (1D) "Pt wire" structure with the electronic effect of the substituent. The structures of six solvated diimineplatinum(II) complexes based on 4,4-dichloro-2,2'-bipyridine or 4,4-dibromo-2,2'-bipyridine and 4-substituted phenylacetylene ligands have been determined, namely, 1·1/2toluene, 2·1/2THF, 3·1/8toluene, 4·1/2THF, 5·1/8CH2Cl2, and 6·1/4toluene. All of them crystallize in the monoclinic space group C2/c or C2/m and stack in the 1D "Pt wire" structure. In the solid state, six complexes exhibited unusual long-wavelength metal-metal-to-ligand charge-transfer luminescence that peaked at 984, 1044, 972, 990, 1022, and 935 nm, respectively. Interestingly, 2·1/2THF has the shortest Pt···Pt distance and the longest emission wavelength among the six complexes. As far as we know, the luminescence of 2·1/2THF at 1044 nm is the longest emission wavelength among known diimineplatinum(II) complexes. Systematic studies revealed that good molecular planarity, suitable substituent position, weak hydrogen-bond-forming ability of the substituents, appropriate molecular bending, and weakening of the interaction between solvated molecules and platinum molecules are conducive to the construction of a 1D "Pt wire" structure of the diimineplatinum(II) complex. Furthermore, the emission energy of the complex is mainly determined by the strength of the Pt-Pt interaction and electronic effect of the substituent.Isostructural lanthanide-based coordination polymers with general chemical formula [Ln(phen)(glu)(NO3)]∞ with Ln = La-Tm (except Ce and Pm) have been synthesized by hydrothermal methods (H2glu stands for glutaric acid and phen stands for 1,10-phenantroline). They crystallize in the monoclinic system with the P21/c (no. 14) space group. The crystal structure has been solved on the basis of the La derivative. It can be described as the superimposition of molecular chains of dimeric La(phen)(NO3)-La(phen)(NO3) units bridged by glutarate ligands. Luminescent properties have been explored and show that the Eu derivative exhibits the highest luminance observed for Eu-based coordination polymers (85 to 105 cd·m-2). Effects of the dilution of the Eu3+ and Tb3+ luminescent ions by Gd3+ optically inactive ions are unexpected and to the best of our knowledge unprecedented. This could be related to the different intermetallic energy-transfer mechanisms in competition and to the nonisotropic distribution of the lanthanide ions in these molecular alloys. The investigation of molecular alloys with general chemical formula [Eu1-xTbx(phen)(glu)(NO3)]∞ with 0 ≤ x ≤ 1 highlights a very sizable and constant Eu3+ luminescence whatever the x value, which further confirms the existence of very strong intermetallic energy transfers in this family of compounds. It is also noticeable that some coordination polymers based on weakly emissive lanthanide ions exhibit very well defined emission spectra.Reported herein are the synthesis and structures of two high-nuclearity AuAg nanoclusters, namely, [Au78Ag66(C≡CPh)48Cl8]q- and [Au74Ag60(C≡CPh)40Br12]2-. Both clusters possess a three-concentric-shell Au12@Au42@Ag60 structure. However, the dispositions of the metal atoms, and the ligand coordination modes, of the outermost shells of these clusters are distinctly different. These structural differences reflect the bonding characteristics of the halide ligands. As revealed by density functional theory analysis, these clusters exhibit superatomic electron shell closings at magic numbers of 92 (for q = 4) and 84, respectively, consistent with their spherical shapes. Both clusters exhibit unusual multivalent redox properties.Persistent organic pollutants (POPs) and related chemicals are fascinating because of their combination of physical-chemical properties and complex effects. Most are man-made, but some also have natural origins. They are persistent in the environment, but they can be broken down variously by biodegradation, atmospheric reactions, and abiotic transformations. They can exist in the gas or particle phases, or both, in the atmosphere and in the dissolved or particulate phases, or both, in water. These combinations mean that they may undergo long-range transport in the atmosphere or oceans, or they may stay close to sources. Hence, emissions from one country are frequently a source of contamination to another country. They are also usually lipophilic, so-combined with persistence-this means they can accumulate in organisms and biomagnify through food chains. We all have a baseline of POPs residues in our tissues, even the unborn fetus via placental transfer and the newly born baby via mother's milk. POPs in biological systems occur in mixtures, so confirming effects caused by POPs on humans and other top predators is never straightforward. Depending on which papers you read, POPs may be relatively benign, or they could be responsible for key subchronic and chronic effects on reproductive potential, on immune response, as carcinogens, and on a range of behavioral and cognitive end points. They could be a factor behind diseases and conditions which have been increasingly reported and studied in modern societies. In short, they are endlessly fascinating to scientists and a nightmare to regulators and policy makers.In perovskite solar cells, the halide vacancy defects on the perovskite film surface/interface will instigate charge recombination, leading to a decrease in cell performance. In this study, cadmium sulfide (CdS) has been introduced into the precursor solution to reduce the halide vacancy defects and improve the cell performance. The highest efficiency of the device reaches 21.62%. Density functional theory calculation reveals that the incorporated Cd2+ ions can partially replace Pb2+ ions, thus forming a strong Cd-I bond and effectively reducing iodide vacancy defects (VI); at the same time, the loss of the charge recombination is significantly reduced because VI is filled by S2- ions. Besides, the substitution of Cd2+ for Pb2+ could increase the generation of PbI2, which can further passivate the grain boundary. Therefore, the stability of the cells, together with the efficiency of the power conversion efficiencies (PCEs), is also improved, maintaining 87.5% of its initial PCEs after being irradiated over 410 h. This work provides a very effective strategy to passivate the surface/interface defects of perovskite films for more efficient and stable optoelectronic devices.Cleavage and polyadenylation specificity factor 30 (CPSF30) is a zinc finger protein that regulates pre-mRNA processing. CPSF30 contains five CCCH domains and one CCHC domain and recognizes two conserved 3' pre-mRNA sequences an AU hexamer and a U-rich motif. AU hexamer motifs are common in pre-mRNAs and are typically defined as AAUAAA. Variations within the AAUAAA hexamer occur in certain pre-mRNAs and can affect polyadenylation efficiency or be linked to diseases. The effects of disease-related variations on CPSF30/pre-mRNA binding were determined using a construct of CPSF30 that contains just the five CCCH domains (CPSF30-5F). Bioinformatics was utilized to identify the variability within the AU hexamer sequence in pre-mRNAs. The effects of this sequence variability on CPSF30-5F/RNA binding affinities were measured. Bases at positions 1, 2, 4, and 5 within the AU hexamer were found to be important for RNA binding. Bioinformatics revealed that the three bases flanking the AU hexamer at the 5' and 3' ends are twice as likely to be adenine or uracil as guanine and cytosine. The presence of A and U residues in these flanking regions was determined to promote higher-affinity CPSF30-5F/RNA binding than G and C residues. The addition of the zinc knuckle domain to CPSF30-5F (CPSF30-FL) restored binding to AU hexamer variants. This restoration of binding is connected to the presence of a U-rich sequence within the pre-mRNA to which the zinc knuckle binds. A mechanism of differential RNA binding by CPSF30, modulated by accessibility of the two RNA binding sites, is proposed.Near-infrared (NIR)-light-modulated photothermal thrombolysis has been investigated to overcome the hemorrhage danger posed by clinical clot-busting substances. A long-standing issue in thrombosis fibrinolytics is the lack of lesion-specific therapy, which should not be ignored. Herein, a novel thrombolysis therapy using photothermal disintegration of a fibrin clot was explored through dual-targeting glycol chitosan/heparin-decorated polypyrrole nanoparticles (GCS-PPY-H NPs) to enhance thrombus delivery and thrombolytic therapeutic efficacy. GCS-PPY-H NPs can target acidic/P-selectin high-expression inflammatory endothelial cells/thrombus sites for initiating lesion-site-specific thrombolysis by hyperthermia using NIR irradiation. A significant fibrin clot-clearance rate was achieved with thrombolysis using dual-targeting/modality photothermal clot disintegration in vivo. The molecular level mechanisms of the developed nanoformulations and interface properties were determined using multiple surface specific analytical techniques, such as particle size distribution, zeta potential, electron microscopy, Fourier-transform infrared spectroscopy (FTIR), wavelength absorbance, photothermal, immunofluorescence, and histology. Owing to the augmented thrombus delivery of GCS-PPY-H NPs and swift treatment time, dual-targeting photothermal clot disintegration as a systematic treatment using GCS-PPY-H NPs can be effectively applied in thrombolysis. This novel approach possesses a promising future for thrombolytic treatment.Disinfection of water systems by chloramination is a method frequently used in North America as an alternative to chlorination. In such a case, monochloramine is used as the primary chlorine source for disinfection. Regular monitoring of the residual concentrations of this species is essential to ensure adequate disinfection. An amperometric sensor for monochloramine would provide fast, reagent-free analysis; however, the presence of dissolved oxygen in water complicates sensor development. In this work, we used in-situ pH control as a method to eliminate oxygen interference by conversion of monochloramine to dichloramine. Unlike monochloramine, the electrochemical reduction of dichloramine occurs outside the oxygen reduction potential window and is therefore not affected by the oxygen concentration. Potential sweep methods were used to investigate the conversion of monochloramine to dichloramine at pH 3. The pH control method was used to calibrate monochloramine concentrations between 1 and 10 ppm, with a detection limit of 0.03 ppm. Tests were carried out in high alkalinity samples, wherein it was found that the sensitivity of this method effectively remained unchanged. Monochloramine was also quantified in the presence of common interferents (copper, phosphate, and iron) which also had no significant impact on the analysis.

This study aimed to obtain the oral health-related factors of patients with intellectual and developmental disabilities (IDD) from family caregivers and to relate caregiver-perceived risk factors to dental treatment needs of patients.

A total of 120 dyads of patients (mean [SD] age = 29.1 [8.4] years) and their family caregivers (mean [SD] age = 56.5 [9.5] years) were included. Data were obtained from self-administered questionnaires by caregivers and oral examinations by a dentist. Oral health conditions of patients were analysed in different age groups using paired t-tests. Caregiver-perceived oral health conditions of patients and dentist-assessed caries and periodontal disease were compared using Pearson's chi-squared and Fisher's exact tests. Relationships between patient factors and treatment needs were analysed using multiple logistic regression.

Tooth pain, chewing difficulty, and reasons for the last dental visit were associated with high numbers of decayed teeth (DT) (p < 0.05). Overall oral health condition of patients rated by caregivers was related to high DT and the Community Periodontal Index (CPI) score (p < 0.05). Well-maintained dental care of caregivers was associated with lower numbers of DT and less urgent treatment needs of patients (p < 0.05).

There were caregiver-perceived factors indicating dental treatment needs of patients with IDD. Proxy reports by caregivers can be used as risk predictors for ongoing dental problems of patients with communication limitations.

There were caregiver-perceived factors indicating dental treatment needs of patients with IDD. Proxy reports by caregivers can be used as risk predictors for ongoing dental problems of patients with communication limitations.

To compare clinical outcomes and oral fluid biomarkers in gingivitis subjects using an electric toothbrush/irrigator combination (test) or a manual toothbrush alone (control) over 8 weeks.

Subjects were randomly assigned to two groups of n = 30. In both groups, toothbrushing was performed twice daily at home and no additional interdental cleaning aids were allowed. Plaque Index (PLI), Gingival Index (GI), whole saliva (WS), and gingival crevicular fluid (GCF) samples were collected at weeks 2, 4, and 8.

Subjects' mean age was 23 years and 52% were female. Overall baseline means were 1.31 for PLI, 1.07 for GI, and 34.9 for number of bleeding sites. At every follow-up visit, both groups differed statistically significantly (p < 0.001) from baseline for all clinical parameters. The test group demonstrated statistically significantly (p < 0.001) greater reductions in GI vs the control group by 18% at week 2, 17% at week 4 and 24% at week 8. The test group also demonstrated statistically significantly (p < 0.002) greater reductions in the number of bleeding sites vs the control group by 33% at week 2, 34% at week 4 and 43% at week 8. Between-group comparisons for both WS and GCF revealed numerical trends for decreased levels of interleukin (IL)-1β in GCF after 4 and 8 weeks, but these were not statistically significant.

In subjects using the electric toothbrush/irrigator combination, increased clinical improvements may be found accompanied by similarly improved trends for oral fluid biomarkers such as IL-1β.

In subjects using the electric toothbrush/irrigator combination, increased clinical improvements may be found accompanied by similarly improved trends for oral fluid biomarkers such as IL-1β.

Volleyball players as overhead athletes have the highest risk of developing scapular dyskinesis. The kinetic chain exercise-approach has gained a lot of attention because of its claims to provide an improved motor control and scapular kinematics. A form of cross exercise, known as mirror therapy, may enhance the effects of a kinetic-chain-approach on scapular posture, upper and lower limb performance. The aim of this study was to investigate the adjunctive benefits of mirror cross education in a kinetic chain approach, in volleyball athletes with SD.

Thirty-nine professional volleyball athletes were randomly assigned to three groups of 13 each, two experimental, the mirror cross education and kinetic chain approach, and one control. Both experimental groups performed a kinetic chain approach program, however, the mirror cross education group performed the exercise program with the addition of two mirrors that allowed athletes to observe their opposite non-dyskinetic scapula. Scapular posture asymmetries in cm, the Y-Balance and the Upper-Quarter Y-Balance after normalizing by limb length the reach distance in each direction, were assessed before and after performing each intervention for 6 weeks.

3×2 two-way Mixed ANOVAs detected significant interactions on scapular posture (P=0.001) on both experimental groups when compared with the control. The Y-Balance and the Upper Quarter Y-Balance scores at both mirror cross education and kinetic chain approach groups showed significant differences when compared with the control (P<0.05). Overall, variables showed significant superiority of the mirror cross education group.

The Mirror-Cross-Education demonstrated significant effects in scapular posture and in the functional balance tests of volleyball athletes with scapular dyskinesis.

The Mirror-Cross-Education demonstrated significant effects in scapular posture and in the functional balance tests of volleyball athletes with scapular dyskinesis.

Neuromuscular fitness can be influenced at puberty by a steroid hormones, such as testosterone (TRT) and estradiol (EST). However, more information is needed to assess the reliability between the discriminatory power of biological age (BA) markers with the discriminatory power of TRT and EST in relation to muscle strength in young athletes who are at puberty. The aim of this paper was to analyze BA, TRT and EST as discriminating factors of upper limb (ULS) and lower (LLS) strength levels in young athletes.

The sample of 81 young athletes (54.4% female and 45.6% male; age 11.4±1.08). Hormones were analyzed by chemiluminescence, BA markers by anthropometric variables and body composition by tetrapolar bioimpedance. ULS was verified by the medicineball launch test and LLS by the countermovement jump test on a force platform.

EST was reliable for discriminating ULS (P<0.05) and LLS (P<0.05) in females. TRT showed reliability in discriminating ULS (P<0.05) and LLS (P<0.05) in males. BA was significant in discriminating ULS (P<0.0001) in females and ULS (P=0.002) and LLS (P<0.0001) in males. BA showed significant reliability with hormonal analyzes (P<0.05).

That hormonal concentrations are reliable in discriminating ULS and LLS of young athletes of both sexes. BA was shown to be effective in discriminating ULS (in both sexes) and LLS (in males). BA showed significant reliability with hormonal analyzes (ULS and LLS in male sex; LLS for female sex).

That hormonal concentrations are reliable in discriminating ULS and LLS of young athletes of both sexes. BA was shown to be effective in discriminating ULS (in both sexes) and LLS (in males). BA showed significant reliability with hormonal analyzes (ULS and LLS in male sex; LLS for female sex).

The development of the norm of functional variables of fitness as a national database was considered the most important criterion of success in basketball. The current study aims to investigate the performance and skill-related determinants of physical fitness.

Forty-three elite basketball players (including 14 centers, 15 forward and 14 guard players) participated in this cross-sectional study. The biomechanical parameters of the vertical jump and on-court tests including 20-meter dash, 4×9m agility, 10×20 m shuttle run, repeated side hop, were evaluated. The values of these parameters were compared between different posts using MANOVA and Tukey Post hoc tests in SPSS software (P≤0.05).

The norm of physical fitness parameters was obtained by determining the percentage points of 0-10%, 10-25%, 25-50%, 50-75%, 75-90% and 90-100%. Furthermore, peak vertical jump velocity and relative jump power were significantly higher in the guards and forwards compared to the centers (P=0.007 and P=0.027, respectively)s' poor performance in all three positions.

The aim of this study is to report injury patterns associated with training activities of South Korean elite handball athletes.

We prospectively collected data (stratified by sex, handball position, and injury location) on site from elite handball athletes between January and December 2019 at the Korea Training Center, South Korea. We used χ

tests and one-way analysis of variance to compare groups. Simple linear regression was conducted to determine associations between pain score and recovery time.

We included 188 (96 male and 92 female) athletes who sustained 767 injuries (annual average, 4.08 injuries/athlete) during the study. Female athletes had a higher (P<0.001) injury incidence rate (6.21/1000 h) than male athletes (4.39/1000 h). Most injuries occurred in the lower extremities (50.2%). The injured body areas differed by handball position (P<0.001), and injury severity differed according to sex (P<0.001), with injuries in men typically resulting in a longer recovery time. Pain score and recovery time differed (both P<0.001) depending on the injured tissue type. Pain score was the highest and recovery time longest for ligament injuries; muscle injuries resulted in a high pain score but a relatively short recovery time. An increase in pain score of 1 was associated with an increase in recovery time of approximately 1.59 days.

We believe that our data increase the understanding of the types and severity of injuries sustained by elite Korean handball athletes. These data should be incorporated into programs that aim to reduce the incidence of sports injuries and enhance athletic performance.

We believe that our data increase the understanding of the types and severity of injuries sustained by elite Korean handball athletes. These data should be incorporated into programs that aim to reduce the incidence of sports injuries and enhance athletic performance.

Volleyball is an intermittent, extremely dynamic and open-skill team sport in which players perform a variety of acyclic movements while constantly changing game situation. The purpose of this systematic review was to provide a summary of the research that has examined intervention strategies to improve agility performance in volleyball and to synthesize the tests used to evaluate agility in volleyball.

A systematic review was performed in PubMed, Scopus, Web of Science and Google Scholar with titles, abstracts, and full texts that were analyzed according to predefined inclusion criteria to find relevant studies. Moreover, the methodological quality of the studies selected was assessed.

Twelve studies (N.=348 participants) were included. The selected studies had a methodological quality rated poor-to-moderate (average score of 3.9, range 1 to 6). Results showed that of all the training interventions, plyometric-based training present the greatest improvement in agility (average of 7.7%). Moreover, the agility T-test was the most used test.

Considering the poor-to-moderate methodological quality, there is a need for developing specific longitudinal and controlled studies with the aim of studying the effect of diversified training interventions on the development of agility in volleyball players.

Considering the poor-to-moderate methodological quality, there is a need for developing specific longitudinal and controlled studies with the aim of studying the effect of diversified training interventions on the development of agility in volleyball players.

Lower habitual physical activity in adolescents with visual impairment (VI) have detrimental effect on their general health such as bone quality and physical fitness. The aim of this study was to demonstrate the bone quality in children with VI and to analyze the correlations of their bone characteristics with anthropometric and physical fitness tests.

The participants (N.=38) were adolescents (14.85±2.79 yrs) with low vision (N.=18) or blindness (N.=20). Dual-energy X-ray absorptiometry (DEXA) was used to measure bone mineral density (BMD), bone mineral content (BMC) of the total body and L1-L4 of the lumbar spinal region. After anthropometry physical fitness was examined by laboratory test (V̇O<inf>2peak</inf>) and field tests (strength and running).

Height, weight, Body Mass Index (BMI), V̇O<inf>2peak</inf> were similar in the two groups. Blind boys showed significant higher handgrip strength. Estimated V̇O<inf>2peak</inf> (from 20-m shuttle running test) was significantly lower in blind children (43.84±4.42 mL/kg/min) than in children with low vision (35.08±5.23 mL/kg/min; P<0.001). BMD and BMC did not differ in subgroups, Z-score of total body BMD was significantly lower in blind children. Means of Z-score in L1-L4 lumbal spinal region were negative values and similar in blind and low vision adolescents' subgroups. A linear regression model in the collective group revealed significant associations of BMD (r2=0.538; P=0.0001) and BMC (r2=0.698; P=0.048) with BMI and handgrip strength test.

Adolescents with VI have generally decreased bone health and physical fitness level. BMI and handgrip strength are predictors of total body BMD and BMC; suggesting that these measures may be adequate to estimate bone health.

Adolescents with VI have generally decreased bone health and physical fitness level. BMI and handgrip strength are predictors of total body BMD and BMC; suggesting that these measures may be adequate to estimate bone health.

This study investigated the possible influence of the gender on the responses of swimmers during a taper period (TP).

Ten males (19±3 years and 73.5±7.8 kg) and ten females (17±2 years and 54.7±7.2 kg) swimmers were submitted to a 12-week training, followed by three weeks of the TP. Before and after the TP we evaluated the performance at 100 m freestyle, stroke parameters and lactacidemic responses; lactate minimum intensity (LMI) and stroke parameters associated with LMI and the propulsive force in tethered swimming. TP consisted of 14 sessions with mean volume 2253±1213 m/session at an intensity below than the LMI, 1730±327 m/session at an intensity near the LMI and 1530±1019 m/session at an intensity above the LMI.

Significant effects of the genders were observed for LMI and stroke parameters (P<0.001 and η

>0.52 [large]) and propulsive force (P=0.001; η

=0.59 [large]). However, no significant effects of the TP were identified in the performance of the 100 m freestyle (P=0.66; η

=0.006 [small]), propulsive force (P>0.63; η

<0.006 [small]), aerobic parameters (LMI P=0.32 and η

=0.03 [small]) and mechanical parameters (P>0.23; η

=0.01 [small]). Nonetheless, the peak blood lactate concentrations were improved after TP (P=0.014; η

=0.16 [large]), without significant interactions (P=0.38; η

=0.02 [small]), as well as the mechanical parameters during maximum 100 m freestyle (P<0.04 and η

>0.10 [medium]).

Hence, men and women presenting significantly different values in the age group studied, the responses observed after the TP investigated were the same independent of gender.

Hence, men and women presenting significantly different values in the age group studied, the responses observed after the TP investigated were the same independent of gender.

Clustering of cardiometabolic risk factors is a sign of detrimental health. Tracking is a term used to describe a variable longitudinal stability across time. High tracking provides the chance to determine which cardiometabolic risk factors should be the target of early treatment and prevention efforts. The present study aims to analyze the tracking of cardiometabolic risk factors and clustered cardiometabolic risk score in children across a 3-year time span, and to verify the odds of staying at risk (measured by the clustered score) from baseline to follow-up.

Longitudinal study that included 354 (155 boys) children, aged 7-12 years at baseline. A clustered score was calculated by summing the systolic blood pressure, waist circumference, triglycerides, glucose, and the TC/HDL-C ratio Z-scores divided by five. A second clustered score was calculated including cardiorespiratory fitness (CRF).

CRF and anthropometric parameters presented high tracking (r≥0.662), whereas the cardiometabolic parameters exhibited low-to-moderate tracking (0.100≤r≤0.571). The clustered scores' tracking was moderate (r≥0.508; r≥0.588 [CRF]). Participants in the higher risk groups at baseline presented 3.81 (95% CI 2.40; 6.05) and 4.64 (95% CI 2.85; 7.56), including CRF, times higher chance of remaining at risk three years later. Moreover, participants in the worst profile regarding CRF or anthropometrics at baseline presented at least 4.00 times higher chance of being at risk three years later.

Participants with worst CRF and adiposity had an increased risk of presenting higher clustered risk after three years.

Participants with worst CRF and adiposity had an increased risk of presenting higher clustered risk after three years.The prevalence of risk factors for malnutrition has increased during the coronavirus disease 2019 (COVID-19) pandemic. These risk factors include various symptoms and effects of COVID-19, such as breathlessness, coughing, inflammation, sarcopenia, anorexia and loss of taste or smell, as well as the side effects of treatment. In addition, public health infection prevention and control measures can inadvertently reduce access to food and increase social isolation, thus adversely affecting people's nutritional status. This article outlines practical interventions for preventing and managing malnutrition in the community, particularly where it is exacerbated by the social restrictions in place to contain the COVID-19 pandemic.Midpalatal corticotomy-assisted rapid maxillary expansion (MCRME) is a minimally invasive treatment of maxillary transverse deficiency (MTD) in young adults. However, the effect of MCRME on respiratory function still needs to be determined. In this study, we evaluated the changes in maxillary morphology and the upper airway following MCRME using computational fluid dynamics (CFD). Twenty patients with MTD (8 males, 12 females; mean age 20.55 years) had cone-beam computed tomography (CBCT) images taken before and after MCRME. The CBCT data were used to construct a three-dimensional (3D) upper airway model. The upper airway flow characteristics were simulated using CFD, and measurements were made based on the CBCT images and CFD. The results showed that the widths of the palatal bone and nasal cavity, and the intermolar width were increased significantly after MCRME. The volume of the nasal cavity and nasopharynx increased significantly, while there were no obvious changes in the volumes of the oropharynx and hypopharynx. CFD simulation of the upper airway showed that the pressure drop and maximum velocity of the upper airway decreased significantly after treatment. Our results suggest that in these young adults with MTD, increasing the maxillary width, upper airway volume, and quantity of airflow by MCRME substantially improved upper airway ventilation.

To investigate the relationship between the fatty acid-binding protein 4 (FABP4) and colorectal cancer (CRC).

Using an enzyme-linked immunosorbent assay (ELISA), we measured the expression of FABP4 in plasma of 50 patients who underwent surgery for CRC from October 2017 to May 2018 and 50 healthy controls. The content of the visceral fat area (VFA) as seen with abdominal computed tomography (CT) scanning was measured by ImageJ software. The expression levels of FABP4, E-cadherin, and Snail proteins in CRC and adjacent tissues were determined by immunohistochemistry.

The mean concentration of plasma FABP4 of CRC patients was higher than that of the control group (22.46 vs. 9.82 ng/mL;

<0.05). The concentration of plasma FABP4 was related to the tumor, node, metastatis (TNM) stage and lymph node metastasis and was independent of age, body mass index (BMI), tumor size and location, and the degree of differentiation of CRC. The concentration of plasma FABP4 was positively correlated with high VFA and lin was highly expressed in CRC tissues and associated with TNM stage, differentiation, and lymph node metastasis of CRC. The level of FABP4 in CRC tissue was correlated with E-cadherin and Snail expression, suggesting that FABP4 may promote CRC progression related to epithelial-mesenchymal transition (EMT).Ischemic stroke presents a leading cause of mortality and morbidity worldwide. Theaflavic acid (TFA) is a theaflavin isolated from black tea that exerts a potentially neuro-protective effect. However, the dynamic properties of TFA-mediated protection remain largely unknown. In the current study, we evaluated the function of TFA in the mitochondria apoptotic pathway using mathematical modeling. We found that TFA-enhanced B-cell lymphoma 2 (Bcl-2) overexpression can theoretically give rise to bistability. The bistability is highly robust against parametric stochasticity while also conferring considerable variability in survival threshold. Stochastic simulations faithfully match the TFA dose response pattern seen in experimental studies. In addition, we identified a dose- and time-dependent synergy between TFA and nimodipine, a clinically used neuro-protective drug. This synergistic effect was enhanced by bistability independent of temporal factors. Precise application of pulsed doses of TFA can also promote survival compared with sustained TFA treatment. These data collectively demonstrate that TFA treatment can give rise to bistability and that synergy between TFA and nimodipine may offer a promising strategy for developing therapeutic neuro-protection against ischemic stroke.This study aims to elucidate the antiproliferative mechanism of hydroxychavicol (HC). Its effects on cell cycle, apoptosis, and the expression of c-Jun N-terminal kinase (JNK) and P38 mitogen-activated protein kinase (MAPK) in HT-29 colon cancer cells were investigated. HC was isolated from Piper betle leaf (PBL) and verified by high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR), and gas chromatography-mass spectrometry (GC-MS). The cytotoxic effects of the standard drug 5-fluorouracil (5-FU), PBL water extract, and HC on HT-29 cells were measured after 24, 48, and 72 h of treatment. Cell cycle and apoptosis modulation by 5-FU and HC treatments were investigated up to 30 h. Changes in phosphorylated JNK (pJNK) and P38 (pP38) MAPK expression were observed up to 18 h. The half maximal inhibitory concentration (IC50) values of HC (30 μg/mL) and PBL water extract (380 μg/mL) were achieved at 24 h, whereas the IC50 of 5-FU (50 μmol/L) was obtained at 72 h. Cell cycle arrest at the G0/G1 phase in HC-treated cells was observed from 12 h onwards. Higher apoptotic cell death in HC-treated cells compared to 5-FU-treated cells (P less then 0.05) was observed. High expression of pJNK and pP38 MAPK was observed at 12 h in HC-treated cells, but not in 5-FU-treated HT-29 cells (P less then 0.05). It is concluded that HC induces cell cycle arrest and apoptosis of HT-29 cells, with these actions possibly mediated by JNK and P38 MAPK.Nucleic acids in plant tissue lysates can be captured quickly by a cellulose filter paper and prepared for amplification after a quick purification. In this study, a published filter paper strip method was modified by sticking the filter paper on a polyvinyl chloride resin (PVC) sheet. This modified method is named EZ-D, for EASY DNA extraction. Compared with the original cetyl trimethylammonium bromide (CTAB) method, DNA extracted by EZ-D is more efficient in polymerase chain reaction (PCR) amplification due to the more stable performance of the EZ-D stick. The EZ-D method is also faster, easier, and cheaper. PCR analyses showed that DNA extracted from several types of plant tissues by EZ-D was appropriate for specific identification of biological samples. A regular PCR reaction can detect the EZ-D-extracted DNA template at concentration as low as 0.1 ng/μL. Evaluation of the EZ-D showed that DNA extracts could be successfully amplified by PCR reaction for DNA fragments up to 3000 bp in length and up to 80% in GC content. EZ-D was successfully used for DNA extraction from a variety of plant species and plant tissues. Moreover, when EZ-D was combined with the loop-mediated isothermal amplification (LAMP) method, DNA identification of biological samples could be achieved without the need for specialized equipment. As an optimized DNA purification method, EZ-D shows great advantages in application and can be used widely in laboratories where equipment is limited and rapid results are required.The emergence of coronavirus disease 2019 (COVID-19) not only poses a serious threat to the health of people worldwide but also affects the global economy. The outbreak of COVID-19 began in December 2019, at the same time as the influenza season. However, as the treatments and prognoses of COVID-19 and influenza are different, it is important to accurately differentiate these two different respiratory tract infections on the basis of their respective early-stage characteristics. We reviewed official documents and news released by the National Health Commission of the People's Republic of China, the Chinese Center for Disease Control and Prevention (China CDC), the United States CDC, and the World Health Organization (WHO), and we also searched the PubMed, Web of Science, Excerpta Medica database (Embase), China National Knowledge Infrastructure (CNKI), Wanfang, preprinted bioRxiv and medRxiv databases for documents and guidelines from earliest available date up until October 3rd, 2020. We obtained the latest information about COVID-19 and influenza and summarized and compared their biological characteristics, epidemiology, clinical manifestations, pathological mechanisms, treatments, and prognostic factors. We show that although COVID-19 and influenza are different in many ways, there are numerous similarities; thus, in addition to using nucleic acid-based polymerase chain reaction (PCR) and antibody-based approaches, clinicians and epidemiologists should distinguish between the two using their respective characteristics in early stages. We should utilize experiences from other epidemics to provide additional guidance for the treatment and prevention of COVID-19.

Approximately one-third of patients with major depressive disorder develop treatment-resistant depression. One-third of patients with treatment-resistant depression demonstrate resistance to ketamine, which is a novel antidepressant effective for this disorder. The objective of this study was to examine the utility of resting-state functional magnetic resonance imaging for the prediction of treatment response to ketamine in treatment-resistant depression.

An exploratory seed-based resting-state functional magnetic resonance imaging analysis was performed to examine baseline resting-state functional connectivity differences between ketamine responders and nonresponders before treatment with multiple intravenous ketamine infusions.

Fifteen patients with treatment-resistant depression received multiple intravenous subanesthetic (0.5mg/kg/40minutes) ketamine infusions, and nine were identified as responders. The exploratory resting-state functional magnetic resonance imaging analysis identified a cluster ofutility of resting-state functional magnetic resonance imaging for predicting the antidepressant effects of ketamine in treatment-resistant depression patients and implicated resting-state functional connectivity alterations to determine the trait-like pathophysiology underlying treatment response heterogeneity in treatment-resistant depression.Stripe or yellow rust, caused by Puccinia striiformis Westend. f. sp. tritici is a major threat to bread wheat production worldwide. The breakdown in resistance of certain major genes and newly emerging aggressive races of stripe rusts pose serious concerns in all main wheat growing areas of the world. To identify new sources of resistance and associated QTL for effective utilization in future breeding programs an association mapping (AM) panel comprising of 600 bread wheat landraces collected from eight different countries conserved at ICARDA gene bank were evaluated for seedling and adult plant resistance against the PstS2 and Warrior races of stripe rust at the Regional Cereal Rust Research Center (RCRRC), Izmir, Turkey during 2016, 2018 and 2019. A set of 25,169 informative SNP markers covering the whole genome were used to examine the population structure, linkage disequilibrium and marker-trait associations in the AM panel. The genome-wide association study (GWAS) was carried out using a Mixed Linear Model (MLM). We identified 47 SNP markers across 19 chromosomes with significant SNP-trait associations for both seedling stage and adult plant resistance. The threshold of significance for all SNP-trait associations was determined by the false discovery rate (q) ≤ 0.05. Three genomic regions (QYr.1D_APR, QYr.3A_seedling and QYr.7D_seedling) identified in this study do not correspond to previously reported Yr genes or QTL, suggesting new genomic regions for stripe rust resistance.

Misclassification of Klatskin tumor as intrahepatic rather than extrahepatic bile duct cancer (eBDC) may overestimate the incidence of intrahepatic BDC (iBDC). This study aimed to investigate the impact of misclassified Klatskin tumor on iBDC and eBDC incidences in Korea, where BDC is highly endemic.

The data of incidence, topography and morphology code of BDC from 1999 to 2017 were obtained from the Korea Central Cancer Registry, which covers the entire 51.6 million Korean population. For misclassification analysis, all Klatskin tumors were reclassified as eBDC.

Klatskin tumors accounted for 13.5% of all 81 414 BDC cases. In the registry, an average of 59.7% of Klatskin tumors were classified as iBDC, gradually decreasing from 95.5% to 16.9%. Misclassification led to a 17.3% overestimation of iBDC cases and a 15.0% underestimation of eBDC cases on average. After reclassification, age standardized rate (ASR) of incidence per 100 000 population decreased in iBDC from 3.4 to 2.9 and increased in eBDC from 2.8 to 3.2. Average annual percentage change of iBDC and eBDC incidences were 2.0% and 1.2%, respectively, but ASR of iBDC significantly decreased since 2012 (P<0.0001).

Misclassification of Klatskin tumors has remarkable impact on the incidence of iBDC and eBDC in a highly endemic country.

Misclassification of Klatskin tumors has remarkable impact on the incidence of iBDC and eBDC in a highly endemic country.

To compare the preventive effects of teriparatide and alendronate on the progression of vertebral body collapse in postmenopausal single-level Kümmell's disease (KD).

From March 2013 to December 2020, the medical records for 53 postmenopausal single-level KD patients who received conservative treatment with teriparatide (25 patients, teriparatide group) or alendronate (28 patients, alendronate group) were retrospectively reviewed. Midsagittal computed tomography (CT) images were analyzed by ImageJ to assess the intravertebral bone formation (mineralized bone) by calculating the ratio of area of intravertebral mineralized bone (AIMB) to the area of fractured vertebral body (AFVB). The changes in radiological parameters of the fractured vertebral body including kyphosis angle (KA), anterior and posterior border heights (ABH and PBH) and spinal canal diameter (SCD), bone turnover biomarkers (BTMs), and bone mineral density (BMD) were analyzed to evaluate the therapeutic effect.

At month 12, the ratio of AI baseline to month 12. The ABH decrement was negatively correlated with the change in PINP (r = -0.612, P = 0.001) and the ratio of AIMB to AFVB (r = -0.806, P < 0.001) from baseline to month 12.

In postmenopausal single-level KD patients, conservative treatment with teriparatide was better than alendronate at preventing the progressive vertebral collapse.

In postmenopausal single-level KD patients, conservative treatment with teriparatide was better than alendronate at preventing the progressive vertebral collapse.Abnormal eye movements are often associated with psychiatric disorders. Eye movements are sensorimotor functions of the brain, and aging and sex would affect their characteristics. A precise understanding of normal eye movements is required to distinguish disease-related abnormalities from natural differences associated with aging or sex. To date, there is no multicohort study examining age-related dependency and sex effects of eye movements in healthy, normal individuals using large samples to ensure the robustness and reproducibility of the results. In this study, we aimed to provide findings showing the impact of age and sex on eye movement measures. The present study used eye movement measures of more than seven hundred healthy individuals from three large independent cohorts. We herein evaluated eye movement measures quantified by using a set of standard eye movement tests that have been utilized for the examination of patients with schizophrenia. We assessed the statistical significance of the effects of age and sex and its reproducibility across cohorts.