bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advanced Self‐Standing Electrodes for Water Electrolysis: A Review on Strategies for Further Performance Enhancement
Authors: Xiang Rui , Wang Xingyu 
Published: March 2022

AbstractThe large‐scale application of water electrolysis to produce high purity H2 greatly relies on the development of highly efficient and stable catalysts. In this field, substantial progress has been witnessed during the past years, and self‐standing electrode represents a remarkable milestone. A series of problems associated with common powder catalysts, including insufficient active sites exposure, limited mass transfer, easily peeling off, etc., can be solved by the construction of self‐standing electrode. However, there is still room for further performance enhancement. Therefore, the latest achievements and challenges on the design of advanced self‐standing electrodes for water electrolysis is summarized in this review. Firstly, we outline the methods for controllable synthesis of self‐standing electrodes. Then, particular attention is paid to the adopted strategies for tuning the structure and surface electron configuration of the electrodes, as well as the related performance enhancement mechanisms. Finally, remaining challenges and future perspectives for development of advanced self‐standing electrodes for water electrolysis are concluded.
Quantum Chemistry‐based Molecular Dynamics Simulations as a Tool for the Assignment of ESI‐MS/MS Spectra of Drug Molecules
Authors: Schnegotzki Romina , Koopman Jeroen , Grimme Stefan , Süssmuth Roderich D. 
Published: March 2022

AbstractIn organic mass spectrometry, fragment ions provide important information on the analyte as a central part of its structure elucidation. With increasing molecular size and possible protonation sites, the potential energy surface (PES) of the analyte can become very complex, which results in a large number of possible fragmentation patterns. Quantum chemical (QC) calculations can help here, enabling the fast calculation of the PES and thus enhancing the mass spectrometry‐based structure elucidation processes. In this work, the previously unknown fragmentation pathways of the two drug molecules Nateglinide (45 atoms) and Zopiclone (51 atoms) were investigated using a combination of generic formalisms and calculations conducted with the Quantum Chemical Mass Spectrometry (QCxMS) program. The computations of the de novo fragment spectra were conducted with the semi‐empirical GFNn‐xTB (n=1, 2) methods and compared against Orbitrap measured electrospray ionization (ESI) spectra in positive ion mode. It was found that the unbiased QC calculations are particularly suitable to predict non‐evident fragment ion structures, sometimes contrasting the accepted generic formulation of fragment ion structures from electron migration rules, where the “true” ion fragment structures are approximated. For the first time, all fragment and intermediate structures of these large‐sized molecules could be elucidated completely and routinely using this merger of methods, finding new undocumented mechanisms, that are not considered in common rules published so far. Given the importance of ESI for medicinal chemistry, pharmacokinetics, and metabolomics, this approach can significantly enhance the mass spectrometry‐based structure elucidation processes and contribute to the understanding of previously unknown fragmentation pathways.
Olefin Metathesis Catalysts Generated In Situ from Molybdenum(VI)‐Oxo Complexes by Tuning Pendant Ligands
Authors: Nater Darryl F. , Kaul Christoph J. , Lätsch Lukas , Tsurugi Hayato , Mashima Kazushi , Copéret Christophe 
Published: March 2022

AbstractTailored molybdenum(VI)‐oxo complexes of the form MoOCl2(OR)2(OEt2) catalyse olefin metathesis upon reaction with an organosilicon reducing agent at 70 °C, in the presence of olefins. While this reactivity parallels what has recently been observed for the corresponding classical heterogeneous catalysts based on supported metal oxide under similar conditions, the well‐defined nature of our starting molecular systems allows us to understand the influence of structural, spectroscopic and electronic characteristics of the catalytic precursor on the initiation and catalytic proficiency of the final species. The catalytic performances of the pre‐catalysts are determined by the highly electron withdrawing (σ‐donation) character of alkoxide ligands, OtBuF9 being the best. This activity correlates with both the 95Mo chemical shift and the reduction potential that follows the same trend: OtBuF9>OtBuF6>OtBuF3.
C‐reactive protein, delirium, and other psychological symptoms among patients with advanced cancer
Authors: Amano Koji , Hatano Yutaka , Matsuda Yoshinobu , Maeda Isseki , Ishiki Hiroto , Miura Tomofumi , Imai Kengo , Hori Tetsuo , Matsuda Yosuke , Funaki Hiromi , Suzuki Kozue , Mori Masanori , Morita Tatsuya ,   the East‐Asian collaborative cross‐cultural Study to Elucidate the Dying process (EASED) investigator
Published: March 2022

AbstractBackgroundIt remains unclear whether a relationship exists between elevated C‐reactive protein (CRP) levels and delirium. The primary aim was to investigate the relationship between CRP and delirium in advanced cancer.MethodsThis study was a multicenter prospective cohort study conducted in palliative care units. At baseline, the physicians diagnosed delirium. On the seventh day, they evaluated whether new delirium had occurred. Subjects were divided into four groups according to CRP levels. We assessed the associations between CRP levels and proportions of delirium. To evaluate the relationship between CRP and delirium, adjusted odd ratios (ORs) and 95% confidence intervals (CIs) were calculated in the logistic models.ResultsAmong 1896 patients, 1354 patients were eligible for analyses. We classified them into four groups: low (CRP < 1 mg/dl) (n = 170), moderate (1 ≤ CRP < 5 mg/dl) (n = 453), high (5 ≤ CRP < 10 mg/dl) (n = 334), and very high (10 mg/dl ≤ CRP) (n = 397). The incidence of delirium significantly increased with increasing CRP levels (P = 0.02). In model 1, significantly higher adjusted ORs than in the low CRP group were observed in the high CRP and very high CRP groups (1.63 [95% CI 1.06–2.50], P = 0.03; 1.72 [95% CI 1.13–2.62], P = 0.01, respectively). In model 2, a significantly higher adjusted OR than in the low CRP group was observed in the very high CRP group (1.61 [95% CI 1.05–2.45], P = 0.03).ConclusionsRelationships existed between elevated CRP levels and delirium.
Sex and body composition influences the Quilombolas strength
Authors: Pereira Leonardo Costa , de Santana Frederico Santos , Lamarca Fernando , Garcia Kerolyn Ramos , Karnikowski Mauro , Neto Luiz Sinésio Silva , Oliveira Hildeamo Bonifacio , Osório Neila Barbosa , da Silva Izabel Cristina Rodrigues , de Oliveira Karnikowski Margo Gomes 
Published: March 2022

AbstractBackgroundStudies in ethnic minority communities with social isolation have low genetic variability. Furthermore, assuming that any attempt to determine ageing by chronological cuts is misleading, it is recommended that functional capacity assessments be performed especially during and at the end of adulthood. Specifically, muscle strength performance is an interesting screening measure of functional capacity because of its association with functional level. However, the behaviour of the muscle strength manifestation between sexes and its association with body composition (BC) parameters in a low genetic variability community are unknown. Therefore, the objective of this study was to verify the influence of BC and sex on the handgrip strength of mature remaining Quilombolas.MethodsSeventy Quilombola volunteers of both sexes (♀ = 39; ♂ = 31) were recruited. BC and muscle strength were tested by dual‐energy X‐ray absorptiometry (DEXA) and handgrip equipment (Jamar), respectively. Correlations between muscle strength and age and BC parameters were determined by Spearman equation. In addition, it has executed comparisons of BC and age between strongest and weakest men and women from the interquartile analysis by Mann–Whitney U test. The significance level was adopted: P ≤ 0.05.ResultsOf the 70 remaining Quilombolas, with a mean age 64.6 ± 7.07 years, 55.7% were women with a mean age of 63.77 ± 7.56 years and 44.3% men with 65.65 ± 7.87 years. Statistical differences were identified for all parameters of BC and performance evaluated between men and women, except for the ratio of appendicular and axial fat‐free mass (P = 0.183). The evaluation of the influence of BC on strength identified that Quilombola men and women have different processes in the decline of strength, considering both the correlation's tests and the comparisons between groups of different degrees of strength.ConclusionsFor Quilombola individuals, strength is a variable that can be modulated due to the influence of gender and BC.
Changes in muscle measures during chemoradiotherapy in patients with limited stage small cell lung cancer
Authors: Valan Christine Damgaard , Halvorsen Tarje Onsøien , Slaaen Marit , Grønberg Bjørn Henning 
Published: March 2022

AbstractBackgroundConcurrent chemoradiotherapy is the recommended treatment for limited stage small cell lung cancer. Severe side‐effects, which might cause loss of muscle mass, are frequent. Low skeletal muscle index (SMI) and radiodensity (SMD) are associated with inferior survival and more toxicity in cancer patients, but few have investigated this in small cell lung cancer, and none have investigated whether these muscle measures change during chemoradiotherapy. Patients from a trial comparing two schedules of thoracic radiotherapy (TRT) were analysed (n = 157). We investigated if SMI and SMD changed during treatment; whether changes are negative prognostic factors; or associated with severe toxicity.MethodsSkeletal muscle index and SMD were assessed from computerized tomography scans taken before and after chemoradiotherapy. Patients with analysable computerized tomography scans who completed TRT were eligible.ResultsSixty‐eight patients (43.3%) were analysed. Median age was 63 (range 40–85), 16% had performance status 2 and 92% stage III. Mean SMI decreased from 46.25 to 42.13 cm2/m2 and mean SMD from 38.40 to 37.46 Hounsfield units. Loss of SMD was significantly associated with less Grades 3–4 toxicity (P = 0.027) and less Grades 3–4 esophagitis (P = 0.029). Loss of SMI was significantly associated with shorter survival in multivariable (P = 0.037) but not in univariable analysis (P = 0.094). Loss of SMD was significantly associated with better survival in both univariable (P = 0.006) and multivariable analyses (P = 0.013).ConclusionsThere were large individual variations in changes in muscle measures during chemoradiotherapy, but the majority experienced a loss of both SMI and SMD. There was no consistent prognostic value of changes in muscle measures or consistent associations with severe treatment toxicity.
Association between mitochondrial function measured by 31P magnetic resonance spectroscopy and physical performance in older people with functional impairment
Authors: Chungath Rebecca R. , Witham Miles D. , Clarke Clare L. , Hutcheon Anita , Gandy Stephen , Gingles Christopher , Priba Lukasz , Nicholas S. Richard , Cavin Ian , Sumukadas Deepa , Struthers Allan D. , George Jacob 
Published: March 2022

AbstractBackgroundMitochondrial dysfunction is a potential therapeutic target to improve skeletal muscle function, but the contribution of mitochondrial dysfunction to impaired skeletal muscle performance in older people remains unclear. The aim of this analysis was to test the association between measures of skeletal muscle mitochondrial function and physical performance in older people.MethodsWe analysed data from the Allopurinol in Functional Impairment trial. Participants aged 65 and over, who were unable to walk 400 m in 6 min, underwent 31P magnetic resonance spectroscopy of the calf after exercise at baseline and at 20 weeks follow up. The phosphocreatine recovery half‐life time (t1/2) was derived as a measure of mitochondrial function. Participants undertook the 6‐min walk test and the Short Physical Performance Battery. Muscle mass measured using the Akern 101 bio‐impedance analysis system. Bivariate correlations and multivariable regression analyses were conducted to determine associations between t1/2 and baseline factors.ResultsOne hundred and seventeen participants underwent baseline 31P magnetic resonance spectroscopy, mean age 80.4 years (SD 6.0); 56 (48%) were female. Mean 6‐min walk was 291 m (SD 80), mean SPPB score was 8.4 (SD 1.9); t1/2 correlated significantly with Short Physical Performance Battery score (r = 0.22, P = 0.02) but not with 6‐min walk distance (r = 0.10, P = 0.29). In multivariable linear regression, muscle mass and total body weight, but not t1/2, were independently associated with Short Physical Performance Battery score and with 6‐min walk distance. Change in t1/2 was not significantly associated with change in Short Physical Performance Battery score (r = 0.03, P = 0.79) or with change in 6‐min walk distance (r = −0.11, P = 0.28).ConclusionsMuscle mass, but not phosphocreatine recovery time, was consistently associated with Short Physical Performance Battery score and 6‐min walk distance in older people with functional impairment.
The relationship between evolving sarcopenia and efficacy of immune checkpoint inhibitor in non‐small cell lung cancer patients
Authors: Makiguchi Tomonori , Tanaka Hisashi , Taima Kageaki , Tatsuo Soichiro , Iida Saya , Kakeda Shingo , Tasaka Sadatomo 
Published: March 2022

AbstractBackgroundSarcopenia has been receiving attention in the cancer field. We investigated whether evolving sarcopenia is associated with the outcome of non‐small cell lung cancer (NSCLC) patients receiving immune checkpoint inhibitors (ICIs).MethodsIn this retrospective study, 46 NSCLC patients who received ICIs were subjected. Skeletal muscle area at the level of the third lumbar vertebra (L3‐SMA) was measured from CT images taken before and 90 days after the ICI treatment. The efficacy‐related factors were determined by logistic regression analysis. The prognostic cut‐off value was estimated by a receiver operating characteristic (ROC) curve. Area under curve (AUC) was evaluated. Covariate factors included age, gender, smoking history, histology, performance status, PD‐L1 tumour proportion score, status of driver mutations, body mass index, serum total protein, albumin levels, and peripheral lymphocyte count. Progression free survival (PFS) and overall survival (OS) analysis were conducted by Kaplan–Meier method. Data cut off was determined to be 700 days.ResultsPatient characteristics in age (mean ± SD) and gender (male, %) were 65.5 ± 9.2 years old and 80.4%. In the multivariate analysis, only reduction rate of L3‐SMA was significant (odds ratio 1.14, P = 0.02). The cut‐off value was estimated to be 6% (AUC 0.84, P < 0.0001). Median PFS of patients with L3‐SMA over 6% and those with less was 2.4 and 15.7 months, respectively (P < 0.0001). As for OS, the median time was 10.0 months versus not reached (P = 0.012).ConclusionsEvolving sarcopenia assessed with CT images could be a promising prognostic factor in NSCLC patients receiving ICIs.
Skeletal muscle myostatin gene expression and sarcopenia in overweight and obese middle‐aged and older adults
Authors: Ryan Alice S. , Li Guoyan 
Published: March 2022

AbstractBackgroundMyostatin (MSTN) is a key negative regulator of muscle mass in humans and animals, having direct and indirect influences on molecular regulators of atrophy and hypertrophy, thus potentially impacting fitness and physical function. We have shown that myostatin is elevated in conditions of chronic disability (e.g. paretic limb of stroke). Our hypothesis is that myostatin would be elevated in older adults with sarcopenia. The purpose of this study was to examine the role of skeletal muscle myostatin in sarcopenia.MethodsSixty‐four overweight to obese aged 45–81 years underwent a maximal aerobic capacity (VO2max) test, dual‐energy X‐ray absorptiometry (DXA) scan to determine appendicular lean tissue (ALM), and vastus lateralis muscle biopsy to determine myostatin mRNA expression by quantitative real time PCR (Q‐RT‐PCR). Rates of sarcopenia were determined using (ALM/BMI), and sarcopenia was defined as <0.789 in men and <0.512 in women. Subjects had low fitness (VO2max: 22.7 ± 0.7 mL/kg/min) and on average 40.9 ± 1% body fat.ResultsThe prevalence of sarcopenia in this cohort was 16%. BMI, % body fat, and fat mass were higher in adults with sarcopenia than those without sarcopenia (all P < 0.001). Myostatin mRNA expression was lower in those without sarcopenia than those with sarcopenia (P < 0.05) and higher in men than women (P < 0.001). Myostatin expression was associated with BMI (r = 0.36, P < 0.01) and mid‐thigh intramuscular fat (r = 0.29, P < 0.05).ConclusionGiven that myostatin is important in muscle atrophy, fat accumulation, and sarcopenia, further work could address its implication in other aging cohorts of disability and chronic disease.
Magnetic resonance imaging vs. computed tomography image concordance for linear measurements and the quantification of abdominal skeletal muscle
Authors: Medline Alexandra , Nabavizadeh Reza , Le Thien‐Linh , Patil Dattatraya , Evans Sean , Sandberg Alex , Psutka Sarah P. , Master Viraj A. 
Published: March 2022

AbstractBackgroundLinear measurement analysis using computed tomography (CT) scans to quantify abdominal muscle mass has been validated as a clinically practical approach for screening individuals with low muscle mass. However, there is still a need to validate such analysis using magnetic resonance imaging (MRI) imaging. The aim of this study is to assess the reproducibility and concordance of CT and MRI imaging for linear measurement analyses of skeletal muscle at mid‐L3.MethodsWe retrospectively analysed 66 patients with available CT and MRI images within 30 days of one other to evaluate linear measurement CT and MRI concordance. Linear measurement analysis for abdominal/pelvic CT and MRI scans for eight patients was conducted independently three times by the same person separated by at least 1 week to assess intra‐rater variability. The intra‐observer variability for both CT and MRI was assessed using the intraclass correlation coefficient (ICC). The concordance and correlation of CT and MRI mid‐L3 for linear measurements were assessed using Pearson correlation coefficients and Bland–Altman plots.ResultsThe intra‐rater reliability of linear measurements for both CT and MRI was high, as measured by the ICC (CT range: 0.788–0.992; MRI range: 0.766–0.984). CT and MRI linear measurements were found to be significantly positively correlated for all psoas (total psoas r = 0.98; P < 0.0001) and paraspinal muscle measurements (total paraspinal r = 0.99; P < 0.0001). Bland–Altman analysis revealed a mean bias of 0.83 (range: 0.03–5.56) for MRI over CT linear measurements.ConclusionsCT and MRI images were shown to be concordant for linear measurement analysis of abdominal muscle mass. T2‐weighted MRI sequences can be used interchangeably with CT in the assessment of sarcopenia using linear measurement analysis.
Employee green behavior: A meta‐analysis
Authors: Katz Ian M. , Rauvola Rachel S. , Rudolph Cort W. , Zacher Hannes 
Published: March 2022

AbstractDue to climate change, the need to protect biodiversity and reduce pollution, and governmental regulations, many organizations are aiming to become more environmentally sustainable. In this context, researchers and practitioners are increasingly interested in the construct of employee green behavior (EGB). EGB has been considered by numerous empirical studies over the last two decades and its associations with demographic characteristics, individual differences, work‐related perceptions, and job attitudes. To systematically synthesize the rapidly growing literature on EGB, we conducted a meta‐analysis (k = 135 independent samples; total N = 47,442 employees). Results showed positive associations between EGB and, for example, pro‐environmental attitudes, corporate social responsibility, and green psychological climate. We further report the results of a meta‐analytic path model based on the theory of planned behavior, which showed that pro‐environmental attitude, norms, perceived behavioral control, and intentions positively predicted EGB.
Can fractal dimensions objectivize gastropod shell morphometrics? A case study from Lake Lugu (SW China)
Authors: Wiese Robert , Harrington Kyle , Hartmann Kai , Hethke Manja , von Rintelen Thomas , Zhang Hucai , Zhang Le‐Jia , Riedel Frank 
Published: March 2022

Abstract

Morphometrics are fundamental for the analysis of size and shape in fossils, particularly because soft parts or DNA are rarely preserved and hard parts such as shells are commonly the only source of information. Geometric morphometrics, that is, landmark analysis, is well established for the description of shape but it exhibits a couple of shortcomings resulting from subjective choices during landmarking (number and position of landmarks) and from difficulties in resolving shape at the level of micro‐sculpture.

With the aid of high‐resolution 3D scanning technology and analyses of fractal dimensions, we test whether such shortcomings of linear and landmark morphometrics can be overcome. As a model group, we selected a clade of modern viviparid gastropods from Lake Lugu, with shells that show a high degree of sculptural variation. Linear and landmark analyses were applied to the same shells in order to establish the fractal dimensions. The genetic diversity of the gastropod clade was assessed.

The genetic results suggest that the gastropod clade represents a single species. The results of all morphometric methods applied are in line with the genetic results, which is that no specific morphotype could be delimited. Apart from this overall agreement, landmark and fractal dimension analyses do not correspond to each other but represent data sets with different information. Generally, the fractal dimension values quantify the roughness of the shell surface, the resolution of the 3D scans determining the level. In our approach, we captured the micro‐sculpture but not the first‐order sculptural elements, which explains that fractal dimension and landmark data are not in phase.

We can show that analyzing fractal dimensions of gastropod shells opens a window to more detailed information that can be considered in evolutionary and ecological contexts. We propose that using low‐resolution 3D scans may successfully substitute landmark analyses because it overcomes the subjective landmarking. Analyses of 3D scans with higher resolution than used in this study will provide surface roughness information at the mineralogical level. We suggest that fractal dimension analyses of a combination of differently resolved 3D models will significantly improve the quality of shell morphometrics.