bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Negative Solvatochromism of Reichardt‘s Dye B30 – A Complementary Study
Authors: Spange Stefan , Mayerhöfer Thomas G. 
Published: May 2022

AbstractThe UV/Vis spectra of a hypothetical negative solvatochromic dye in a solvent are theoretically calculated assuming the classical damped harmonic oscillator model and the Lorentz‐Lorenz relation. For the simulations, the oscillator strength of the solvent was varied, while for the solute all oscillator parameters were kept constant. As a result, a simple change of the oscillator strength of the solute can explain the redshift and intensity increase of the UV/Vis band of the solute. Simulated results are compared with measured UV/Vis spectroscopic data of 2,6‐diphenyl‐4‐(2,4,6‐triphenylpyridinium‐1‐yl) phenolate B30 (Reichardt‘s dye) Significant correlations of the absorption energy (1/λmax) with the molar absorption coefficient ϵ as function of solvent polarity are demonstrated for several derivatives of B30. The approach presented is only applicable to negative solvatochromism. Therefore, while the approach is vital to fully understand solvatochromism, it needs to be complemented by other approaches, e. g., to describe the changes of the chemical interactions based on the nature of the solvent, to explain all its various aspects.
Agronomical evaluation of low dormancy alfalfa populations selected by an indoor screening method
Authors: Claessens Annie , Bertrand Annick , Thériault Mireille , Baron Vern , Lajeunesse Julie , Schellenberg Mike , Rocher Solen 
Published: May 2022

AbstractFall dormancy is a vital component of alfalfa (Medicago sativa L.) yield in northern climates, but selection for the trait is often done at the expense of winter survival. We performed one cycle of selection to reduce fall dormancy in two winter hardy cultivars (Yellowhead and Peace) using a new indoor screening method. We compared the reduced dormancy populations with their respective initial cultivars for fall dormancy, yield, and winter survival at four sites across Canada. During the establishment and the first production years, plants of the reduced dormancy populations were generally taller in the fall than their respective cultivar, which resulted in a one unit increase of their fall dormancy class. Under field conditions, plants of the reduced dormancy populations had a similar winter survival than those of the initial cultivars. Under simulated winter conditions, freezing tolerance was not affected by selection for reduced dormancy in Peace, whereas a decrease from −24.0 to −21.5 °C was observed in Yellowhead. However, in this cultivar, we noted a 37% yield increase under field conditions and a 40% more vigorous regrowth under simulated winter conditions in the reduced dormancy population. These results showed that the indoor selection method effectively reduced fall dormancy and that indirect responses for yield and winter survival were dependent on the genetic background used as selection material. This selection method could therefore be promising to develop alfalfa cultivars adapted to northern latitudes with high winter hardiness and improved late season yield.
Blood transcriptomics identifies immune signatures indicative of infectious complications in childhood cancer patients with febrile neutropenia
Authors: Haeusler Gabrielle M , Garnham Alexandra L , Li‐Wai‐Suen Connie SN , Clark Julia E , Babl Franz E , Allaway Zoe , Slavin Monica A , Mechinaud Francoise , Smyth Gordon K , Phillips Bob , Thursky Karin A , Pellegrini Marc , Doerflinger Marcel 
Published: May 2022

AbstractObjectivesFebrile neutropenia (FN) is a major cause of treatment disruption and unplanned hospitalization in childhood cancer patients. This study investigated the transcriptome of peripheral blood mononuclear cells (PBMCs) in children with cancer and FN to identify potential predictors of serious infection.MethodsWhole‐genome transcriptional profiling was conducted on PBMCs collected during episodes of FN in children with cancer at presentation to the hospital (Day 1;n = 73) and within 8–24 h (Day 2;n = 28) after admission. Differentially expressed genes as well as gene pathways that correlated with clinical outcomes were defined for different infectious outcomes.ResultsGlobal differences in gene expression associated with specific immune responses in children with FN and documented infection, compared to episodes without documented infection, were identified at admission. These differences resolved over the subsequent 8–24 h. Distinct gene signatures specific for bacteraemia were identified both at admission and on Day 2. Differences in gene signatures between episodes with bacteraemia and episodes with bacterial infection, viral infection and clinically defined infection were also observed. Only subtle differences in gene expression profiles between non‐bloodstream bacterial and viral infections were identified.ConclusionBlood transcriptome immune profiling analysis during FN episodes may inform monitoring and aid in defining adequate treatment for different infectious aetiologies in children with cancer.
The association between cardiac involvement and long‐term clinical outcomes in patients with Duchenne muscular dystrophy
Authors: Cha Jung‐Joon , Kim In‐Soo , Kim Jong‐Youn , Choi Eui‐Young , Min Pil‐Ki , Yoon Young Won , Lee Byoung Kwon , Hong Bum‐Kee , Kwon Hyuck Moon , Cho Han Eol , Choi Won Ah , Kang Seong‐Woong , Rim Se‐Joong 
Published: May 2022

AbstractAimsDespite advances in contemporary cardiopulmonary therapies, cardiomyopathy remains the leading cause of death in patients with Duchenne muscular dystrophy (DMD). Also, the long‐term clinical outcomes of patients with DMD and cardiomyopathy is unknown. This study investigated long‐term clinical outcomes and their associated factors in patients with late‐stage DMD.Methods and resultsA total of 116 patients with late‐stage DMD (age > 15 years) were enrolled in this retrospective study. All enrolled patients were followed up at a single tertiary referral hospital. LV systolic dysfunction was dichotomously defined as reduced [left ventricular ejection fraction (LVEF) ≤ 40%] vs. preserved [>40%] based on the initial echocardiographic result. The primary endpoint was all‐cause death. The secondary endpoint was a composite event defined as death or unexpected hospitalization due to cardiovascular reasons including chest pain, dyspnoea, and generalized oedema. The patients were divided into preserved (n = 84, 72.4%) and reduced LVEF groups (n = 32, 27.6%). The mean age was 20.8 ± 5.9 years, the mean disease duration, 8.8 ± 3.7 years, and the mean follow‐up duration, 1708 ± 659 days. For primary endpoint, the reduced LVEF group showed a lower rate of overall survival (Reduced LVEF vs. Preserved LVEF; 81.3% vs. 98.8%, log‐rank P = 0.005). In the multivariable Cox regression analysis, brain‐natriuretic peptide (BNP) level (adjusted hazard ratio [HR] 1.088, 95% confidence interval [CI] 1.019–1.162, P = 0.011) and diuretic use (adjusted HR 9.279, 95%CI 1.651–52.148, P = 0.011) were significant predictors of all‐cause death in patients with DMD. For the secondary endpoint, the reduced LVEF group had a lower rate of freedom from composite events than the preserved LVEF group (65.6% vs. 86.9%, log‐rank P = 0.005). In the multivariable Cox regression analysis, BNP level (adjusted HR 1.057, 95%CI 1.005–1.112, P = 0.032) and diuretic use (adjusted HR 4.189, 95% CI 1.704–10.296, P = 0.002) were significant predictors of the composite event in patients with DMD.ConclusionsPatients with DMD and reduced LVEF had worse clinical outcomes than those with preserved LVEF. BNP level and diuretic use were associated with adverse clinical outcomes in patients with late‐stage DMD, irrespective of LVEF.
Substituent Controlled Synthesis of Dioxidomolybdenum(VI) Complexes of N,N,N’,N’‐Tetrakis(2‐Hydroxyl‐3,5‐Disubstitutedbenzyl)‐1,2‐Diaminoethane, Their Trans‐Metalation to Oxidovanadium(V) Complexes and Biocatalytic Applications
Authors: Maurya Mannar R. , Maurya Shailendra K. , Kumar Naveen , Avecilla Fernando , Gupta Puneet 
Published: May 2022

AbstractThe reaction of [MoVIO2(acac)2] (acac=acetylacetonate anion) with N,N,N’,N’‐tetrakis(2‐hydroxy‐3,5‐disubstitutedbenzyl)‐1,2‐diaminoethane having different 3,5‐disubstituents on the phenyl ring in 1 : 1 molar ratio in MeOH results in the formation of two different types of substituent controlled mononuclear complexes. Ligands having 3,5‐di‐t‐butyl substituents [H4en(3,5‐dtbb)4, I] and 3‐t‐butyl‐5‐methyl substituents [H4en(3‐tb,5‐mb)4, II], result in the formation of complexes, [{MoVIO2(MeOH)}H2en(3,5‐dtbb)4] (1) and [{MoVIO2(MeOH)}H2en(3‐tb,5‐mb)4] (2), respectively. In these complexes ligands behave as a bis(dibasic ONO) donor and coordinate to only one side of the ONO functionalities. On the contrary, ligands having 3,5‐dimethyl substituents [H4en(3,5‐dmb)4, III] and 3,5‐dichloro substituents [H4en(3,5‐dcb)4, IV] facilitate mononuclear α‐cis, symmetric complexes, [{MoVIO2}H2en(3,5‐dmb)4] (3) and [{MoVIO2}H2en(3,5‐dcb)4] (4), respectively. Here ligands behave as a dibasic ONNO tetradentate. Further reaction of complexes 1 and 2 with equimolar amount of [MoVIO2(acac)2] in DMF‐MeOH gives homo‐binuclear complexes, [{MoVIO2(DMF)}2en(3,5‐dtbb)4] (5) and [{MoVIO2(DMF)}2en(3‐tb,5‐mb)4] (6), respectively. Reaction of VVO(OEt)3 with complexes 1–4 in refluxing EtOH caused the displacement of cis‐[MoVIO2] group by [VVO] along with the breaking of one of the arms of ligand and the formation of oxidovanadium(V) complexes, [{VVO}en(3,5‐dtbb)3] (7), [{VVO}en(3‐tb,5‐mb)3] (8), [{VVO}en(3,5‐dmb)3] (9), and [{VVO}en(3,5‐dcb)3] (10). This is an example of trans‐metalation. Complexes [{VVO}Hen(3,5‐dmb)4] (11) and [{VVO}Hen(3,5‐dcb)4] (12) upholding all four arms have also been obtained by direct reaction of ligands III and IV, respectively, with VVO(OEt)3. Biomimetic catalytic activity similar to enzymes haloperoxidases was performed with thymol and other phenol derivatives and all these complexes serve as excellent functional models.
Construction of Pyrrolocoumarin Cores through Double C−H Annulation Cascade
Authors: Michikita Ryudai , Usuki Yoshinosuke , Satoh Tetsuya 
Published: May 2022

AbstractRhodium(III)‐catalyzed double C−H annulation of 3‐(acetylamino)coumarins with internal arylacetylenes is reported. The reaction proceeds smoothly accompanied by two C−C and two C−N bond formation to produce 8‐aryl‐6H‐chromeno[4’,3’:4,5]pyrrolo[2,1‐a]isoquinolin‐6‐ones selectively. It also provides a straightforward route to natural product inspired pentacyclic pyrrolocoumarin derivatives from readily available building blocks.
Combination process for dye removal based on photocatalyst and adsorption using low cost waste material adsorbent
Authors: Mohadesi Majid , Gouran Ashkan , Shahbazi Faezeh 
Published: May 2022

AbstractThis study investigated the removal of methylene blue and methyl orange dyes from aqueous solutions containing these dyes. The process of wastewater treatment involved a combination of adsorption processes performed using UV/H2O2/TiO2 and fly‐ash adsorbent prepared from sunflower seed pulp. In this study, first the effect of UV/H2O2/TiO2 process parameters including initial dye concentration (10–30 mg/L), UV lamp power (0–30 W), hydrogen peroxide concentration (100–500 mg/L), and titanium dioxide concentration (10–50 mg/L) were investigated (under a process time of 75 min and adsorbent concentration of 2 g/L). In optimal conditions, the percentage of removal of methylene blue and methyl orange dyes were 96.43% and 83.60%, respectively. After the optimization of the parameters of UV/H2O2/TiO2 process, the processing time and adsorbent concentration were investigated. The results indicated that when performing the process under the process time of 150 min and the adsorbent concentration of 2 g/L, the removal of methylene blue dye exceeded 99%. In addition, the removal of methyl orange dye under the process time of 300 min and the adsorbent concentration of 10 g/L exceeded 99%. At the end of the study, an assessment was carried out using quasifirst‐order and quasisecond‐order kinetic models and the results indicated that both kinetic models had a high level of accuracy for modeling the adsorption of methylene blue and methyl orange dyes on fly‐ash adsorbents prepared from sunflower seed pulp.
A practical methodology for predicting electricity consumption of urban residential buildings
Authors: Yurtsever Özlem 
Published: May 2022

AbstractIt is a challenging task for determining the emissions and energy‐saving options for counties and countries. In order to overcome this issue, two new concepts are introduced in this study. These are residential base electricity consumption and residential base natural gas consumption. A new model that estimates the total energy consumption of urban residential buildings from the available electricity consumption data is developed. The model employs heating degree days (HDD) and cooling degree days (CDD) parameters to predict the energy consumption for heating and cooling purposes. A month with zero or almost zero values of both HDD and CDD is considered as “base month.” These months when there is neither heating nor cooling, plays a key role in this study.The proposed model is applied to a county with a population of over 62,000 located in Southern Turkey, and the total electricity consumption is calculated with 1.24% accuracy. The validity and accuracy of the model are tested by theoretical electricity calculations, coal, and wood consumption. Accordingly, while annual electrical heating is equal to 2618 kWh/year for an average house of 96 m2, for the coal and wood burning households, the annual energy consumption values are 2190 and 2616 kWh/year, respectively.
A comprehensive analysis on elastic, mechanical, thermodynamic and thermoelectric properties of PbSnO3: A density functional theory study
Authors: Patel Shiv , Srivastava Anshuman , Abraham Jisha Annie , Sharma Ramesh , Dar Sajad Ahmad , Srivastava Vipul 
Published: May 2022

SummaryThe full‐potential linearized augmented plane wave (FP‐LAPW) method was employed in the framework of density functional theory (DFT) and semi‐classical Boltzmann transport theory to compute the electronic, elastic, mechanical, thermal, and thermoelectric characteristics of PbSnO3. The properties are derived using a variety of exchange correlations, that is, local density approximations (LDA), Perdew Burke Ernzerhof generalized gradient approximation (PBE‐GGA), Wu‐Cohen (WC‐GGA), Engel‐Vosko GGA (EV‐GGA) and Perdew Burke‐Ernzerhof generalized gradient approximation improved for solids (PBEsol‐GGA), modified Becke‐Johnson GGA, (mBJ‐GGA), new modified Becke‐Johnson GGA (nmBJ‐GGA), and unmodified Becke‐Johnson GGA, (unmBJ‐GGA). In order to accurately describe the characteristics of the perovskite materials, a new modified Becke Johnson (nmBJ) potential is used. In comparison to other computations, the obtained band gap of nmBJ (3.08 eV) is consistent with the other theoretical and experimental findings. The results of our calculations show that PbSnO3 has a direct band gap. In addition, the bulk modulus, elastic constants, Poisson's ratio, shear modulus, anisotropy, and Young's modulus are calculated. The transport theory based on BoltzTraP code is used to calculate electronic transport characteristics such as electrical conductivity and thermal conductivity, Hall‐coefficient, and so on in the temperature range 100 to 1200 K. Furthermore, the thermal characteristics such as Debye temperature, specific heat capacity, entropy and thermal expansion coefficient have been analyzed with quasi‐harmonic Debye model.
Episodic boundary cells in human medial temporal lobe during the free recall task
Authors: Yoo Hye Bin , Umbach Gray , Lega Bradley 
Published: May 2022

AbstractA necessary condition for forming episodic memories is the construction of specific episodes demarcated from other episodes in space and time. Evidence from studies of episodic memory formation using rodent models suggest that the medial temporal lobe (MTL) supports the representation of boundary information. Building on recent work using human microelectrode recordings as well, we hypothesized of human MTL neurons with firing rates sensitive to episodic boundary information. We identified 27 episodic boundary neurons out of 736 single neurons recorded across 27 subjects. Firing of these neurons increased at the beginning and end of mnemonically relevant episodes in the free recall task. We distinguish episodic boundary neurons from a population of ramping neurons (n = 58), which are time‐sensitive neurons whose activity provides complementary information during episodic representation. Episodic boundary neurons exhibited a U‐shaped activity pattern demonstrating increased activity after both beginning and end boundaries of encoding and retrieval epochs. We also describe evidence that the firing of boundary neurons within episodic boundaries is organized by hippocampal theta oscillations, using spike‐field coherence metrics.
Predictors of mortality and morbidity in critically ill COVID‐19 patients: An experience from a low mortality country
Authors: Khatib Mohamad Y. , Ananthegowda Dore C. , Elshafei Moustafa S. , El‐Zeer Hani , Abdaljawad Wael I. , Shaheen Muhsen A. , Ibrahim Abdulsalam S. , Abujaber Ahmad A. , Soliman Ahmed A. , Mohamed Ahmed S. , Al‐Wraidat Mohammad , Ahmed Amna , Nashwan Abdulqadir J. , Saad Mohamed O. , Butt Adeel A. , Al‐Maslamani Muna A. , Al‐Mohammed Ahmed 
Published: May 2022

AbstractBackground and AimsClinical characteristics and factors associated with mortality in patients admitted to the intensive care unit (ICU) in countries with low case fatality rates (CFR) are unknown. We sought to determine these in a large cohort of critically ill COVID‐19 patients in Qatar and explore the early mortality predictors.MethodsWe retrospectively studied the clinical characteristics and outcomes in patients admitted to the ICU at the national referral hospital for COVID‐19 patients in Qatar. Logistic regression analysis was used to determine factors associated with mortality.ResultsBetween March 7 and July 16, 2020, a total of 1079 patients with COVID‐19 were admitted to the ICU. The median (IQR) age of patients was 50 (41–59) years. Diabetes (47.3%) and hypertension (42.6%) were the most common comorbidities. In‐hospital mortality was 12.6% overall and 25.9% among those requiring mechanical ventilation. Factors independently associated with mortality included older age ([OR]; 2.3 [95% CI; 1.92–2.75] for each 10‐year increase in age, p < 0.001), chronic kidney disease (OR; 1.9 [95% CI; 1.02–3.54], p = 0.04), active malignancy (OR; 6.15 [95% CI; 1.79–21.12], p = 0.004), lower platelet count at ICU admission (OR; 1.41 [95% CI; 1.13–1.75] for each 100 × 103/µl decrease, p = 0.002), higher neutrophil‐to‐lymphocyte ratio at admission (OR; 1.01 [95% CI; 1–1.02] for each 1‐ point increase, p = 0.016), higher serum ferritin level at admission (OR; 1.05 [(95% CI; 1.02–1.08] for each 500 µg/L increase, p = 0.002), and higher serum bilirubin level at admission (OR; 1.19 [95% CI; 1.04–1.36] for each 10 μmol/L increase, p = 0.01).ConclusionsThe mortality rate among critically ill COVID‐19 patients is low in Qatar compared to other countries. Older age, chronic kidney disease, active malignancy, higher neutrophil‐to‐lymphocyte ratios, lower platelet counts, higher serum ferritin levels, and higher serum bilirubin levels are independent predictors of in‐hospital mortality.
Device and nondevice‐guided slow breathing to reduce blood pressure in hypertensive patients: A systematic review and meta‐analysis
Authors: de Freitas Gonçalves Kamila S. , Queiroz Godoy Daniel Ana C. , Tatagiba Lamas José L. , Oliveira Henrique C. , Cloutier Lyne , De Campos Pereira Silveira Renata C. , Veiga Eugenia V. 
Published: May 2022

AbstractBackgroud and AimsHypertension (HTN) is a multifactorial chronic disease. Considering the high prevalence rates of this disease, treatment of HTN is necessary, not only to reduce blood pressure (BP) levels but also to prevent the development of cardiovascular, cerebrovascular, and kidney diseases. This treatment can be through medication, which will be determined according to the BP values, obtained either in medical consultations or at home; presence of cardiovascular risk factors, and the presence of target organ damage identified during anamnesis. The aim of this systematic review and meta‐analysis is to summarize the effects of device‐guided slow breathing (DGSB) and nondevice‐guided slow breathing (NDGSB) on BP levels of patients with HTN.MethodsThis study is a systematic review and meta‐analysis of randomized clinical trials, pertaining to hypertensive patients, with or without comorbidity, over 18 years old, of both sexes, and with or without hypertensive medication. The selected studies showed comparisons between groups that performed DGSB and/or NDGSB with control conditions. The primary outcome was the value of systolic blood pressure (SBP) and diastolic blood pressure (DBP) after the interventions.ResultsTwenty‐two studies involving 17,214 participants were included in the quantitative analysis. Considerable heterogeneity was revealed between studies. Using random effect model, it was found that DGSB did not significantly reduce SBP and DBP compared to usual care, both in terms BP values and in relation to their variations (SBP, mean difference [MD]: −2.13 mmHg, (95% confidence interval [CI]: −12.71 to 8.44), 288 individuals; I2 = 93%, high heterogenity: DBP, MD: −0.90, 95% CI: −3.97 to 2.11, 288 individuals; I2 = 63%, substantial heterogenity. SBP variations MD: −2.42, 95% CI: −7.24 to 2.40, 443 individuals; I2 = 85% high heterogenity/DBP variations MD: −1.67, 95% CI: −4.57 to 1.24, 443 individuals; I2 = 80%, high heterogenity).ConclusionBased on these results it appears that DGSB did not reduce BP in hypertensive patients and NDGSB is a new path for the future.
Fasting status modifies the association between triglyceride and all‐cause mortality: A cohort study
Authors: Fang Yan , Wang Yutang 
Published: May 2022

AbstractBackground and AimsBoth fasting and non‐fasting levels of triglyceride have been shown positively associated with all‐cause mortality. It is unknown whether fasting status modifies this association. This study aimed to address this question.MethodsThis study included 34,512 US adults (27,036 fasting and 7476 nonfasting participants). All‐cause mortality was ascertained by linkage to the National Death Index records. Cox proportional hazards models were used to estimate hazard ratios of triglyceride for mortality.ResultsThis cohort was followed up for a mean of 13.0 years. During the follow‐up, 8491 all‐cause deaths were recorded. A 1‐natural‐log‐unit increase in triglyceride was associated with an 8% higher multivariate‐adjusted risk of all‐cause mortality. Interaction analyses showed that fasting status interacted with triglyceride in predicting all‐cause mortality. Sub‐analyses showed that a 1‐natural‐log‐unit increase in triglyceride was associated with a 17% higher multivariate‐adjusted risk of all‐cause mortality in the nonfasting subcohort; however, there lacked such an association in the fasting sub‐cohort. Similarly, high (200–499 mg/dL) and very high levels of triglyceride (≥500 mg/dL) were associated with higher all‐cause mortality risks compared with low normal triglyceride (<100 mg/dL) only in the nonfasting subcohort.ConclusionThis study found that, compared to fasting triglyceride, nonfasting triglyceride was more sensitive in predicting all‐cause mortality. This study supports the initiatives by some guidelines to recommend the use of nonfasting triglycerides for risk assessment.