bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis, in silico, and in vitro evaluation of 3‐phenylpyrazole acetamide derivatives as antimycobacterial agents
Authors: Gaikwad Nikhil B. , Nirmale Krishna , Sahoo Santosh K. , Ahmad Mohammad N. , Kaul Grace , Shukla Manjulika , Nanduri Srinivas , Das Gupta Arunava , Chopra Sidharth , Yaddanapudi Madhavi V. 
Published: December 2020

AbstractMycobacterium tuberculosis (Mtb) is one of the most dangerous pathogens affecting immunocompetent and immunocompromised patients worldwide. Novel molecules, which are efficient and can reduce the duration of therapy against drug‐resistant strains, are an urgent unmet need of the hour. In our current study, a series of new 2‐(3‐phenyl‐1H‐pyrazol‐1‐yl)acetamide and N′‐benzylidene‐2‐(3‐phenyl‐1H‐pyrazol‐1‐yl)acetohydrazide derivatives were designed, synthesized, and evaluated for their antimycobacterial potential. The biological evaluation revealed that 6b, 6m, 6l, 7a, and 7k exhibited selective and potent inhibitory activity against Mtb. Furthermore, compounds 6m and 7h were found to be nontoxic to Vero cells with CC50 of greater than 20 and 80 mg/ml, respectively, and exhibited promising selectivity indices (SI) of greater than 666 and 320, respectively. All derivatives exhibited excellent ADME (absorption, distribution, metabolism, and excretion) properties in silico. Also, all the derivatives were found compliant with Lipinski's rule of five, showing their druggability profile. Molecular docking insights of these derivatives have shown outstanding binding energies on the mycobacterial membrane protein large transporters. These results indicate that this scaffold may lead to a potential antimycobacterial drug candidate in the discovery of antitubercular agents.
Controlling the Selectivity of Supported Ru Nanoparticles During Glycerol Hydrogenolysis: C−O vs C−C Cleavage
Authors: Guadix‐Montero Susana , Santos Hernandez Alba , Lei Nian , Morgan David J. , He Qian , Wang Aiqin , Zhang Tao , Roldan Alberto , Sankar Meenakshisundaram 
Published: December 2020

AbstractControlling the selectivity of a reaction by rational designing of catalyst is an important and challenging topic in catalysis research. In this article, we report a strategy to tune the product selectivity during aqueous phase hydrogenolysis of glycerol using gaseous H2. Ru/TiO2 is an active catalyst for the hydrogenolysis of glycerol, however it promotes the hydrogenolysis of C−C bonds resulting in large quantities of C2 and C1 products. On the other hand, Pd/TiO2 and Pt/TiO2 catalysts are very selective for the hydrogenolysis of C−O bonds producing mainly C3 products (1,2 and 1,3 propanediols), however they are much less active compared to the Ru catalysts. In this article, we report that by combining Ru with Pt or Pd in a bimetallic nanoparticle, we can develop new catalysts that are both active and selective for C−O hydrogenolysis. A physical mixture of two monometallic catalysts does not show this enhanced selectivity for C−O hydrogenolysis, proving that intimate mixing of the two metals in a nanoparticle is crucial to tune the selectivity. All the monometallic and bimetallic catalysts have been characterised by microscopic and spectroscopic methods to understand their structural features. DFT studies were also done to rationalise the observed difference in the catalytic properties between monometallic and bimetallic catalysts.
Platinum(II) Complexes of Tridentate ‐Coordinating Ligands Based on Imides, Amides, and Hydrazides: Synthesis and Luminescence Properties
Authors: Puttock Emma V. , Sturala Jiri , Kistemaker Jos C. M. , Williams J. A. Gareth 
Published: December 2020

AbstractFive Pt(II) complexes are described in which the metal ion is bound to anionic
‐coordinating ligands. The central, deprotonated N atom is derived from an imide Ar−C(=O)−NH−C(=O)−Ar {PtL1–2Cl; Ar=pyridine or pyrimidine}, an amide py−C(=O)−NH−CH2−py {PtL3Cl}, or a hydrazide py−C(=O)−NH−N=CH−py {PtL4Cl}. The imide complexes PtL1–2Cl show no significant emission in solution but are modestly bright green/yellow phosphors in the solid state. PtL3Cl is weakly phosphorescent. PtL4Cl is formed as a mixture of isomers, bound through either the amido or imino nitrogen, the latter converting to the former upon absorption of light. Remarkably, the imino form displays fluorescence in solution, λ0,0=535 nm, whereas the amido shows phosphorescence, λ0,0=624 nm, τ=440 ns. It is highly unusual for two isomeric compounds to display emission from states of different spin multiplicity. The amido‐bound PtL4Cl can act as a bidentate
‐coordinating ligand, demonstrated by the formation of bimetallic complexes with iridium(III) or ruthenium(II).
Rolling back the gains: Maternal stress undermines pregnancy health after Flint's water switch
Authors: Danagoulian Shooshan , Jenkins Derek 
Published: December 2020

AbstractEnvironmental disasters impact disadvantaged communities disproportionately both through the epidemiological challenge of exposure, but also by undermining the progress of public health efforts. This paper studies changes to smoking cessation, breastfeeding, and weight gain during pregnancy in the period following the switch in water supply in Flint, Michigan, in April 2014. As the switch resulted in immediate and significant deterioration in water quality, eventually leading to its contamination with lead, we estimate a 10.5 percentage point increase in smoking and a 2.1 percentage point decrease in breastfeeding. We show evidence that these changes in maternal behavior are linked to increased stress due to changing water quality. We estimate that the increase in smoking alone is responsible for most of the increase in incidence of low birthweight among infants in Flint, resulting in $700 additional costs per birth. Increased smoking during pregnancy and lower breastfeeding rates in Flint roll back years of public health efforts, resulting in lifetime higher rates of cardiovascular disease, diabetes, and cancer for mothers in the community.
Daily investor sentiment, order flow imbalance and stock liquidity: evidence from the Chinese stock market
Authors: Yin Haiyuan , Wu Xingying , Kong Sophie X 
Published: December 2020

AbstractWe examine whether and how investor sentiment affects stock liquidity in the Chinese stock market. Utilizing big data mining techniques, we excavate posted texts of a large stock forum and devise daily investor sentiment indicators. While examining the relationship between investor sentiment and stock liquidity, we also test whether order flow imbalance, attributed to investor sentiment, is the channel where investor sentiment delivers its impact on stock liquidity. We find that investor sentiment correlates positively with stock liquidity, and order flow imbalance is proven as an intermediary in this process. This positive correlation is stronger in a bear market than in a bull one. Additionally, liquidity sensitivity is higher for firms with higher book‐to‐market ratio, larger size and lower risk. When the market is less regulated, such as relaxed short‐selling restrictions, liquidity sensitivity also rises.
Occupational exposure to pesticides in female tea garden workers and adverse birth outcomes
Authors: Kumar Shashi Nandar , Vaibhav Kumar , Bastia Banajit , Singh Vishwajeet , Ahluwalia Meenakshi , Agrawal Usha , Borgohain Deepa , Raisuddin Sheikh , Jain Arun Kumar 
Published: December 2020

AbstractPesticides are globally used to eliminate pests from crops and plants. The increased use of pesticides has posed a serious threat to human health. This study evaluates the effects of pesticide exposure on pregnancy outcomes in tea garden workers (TGW). The acetylcholinesterase (AChE) activity was measured in the maternal blood, placenta, and cord blood of TGW and housewives (HWs). The placental structure and expression of hypoxia‐inducible factor (HIF)‐1α were also analyzed in TGW and HW groups delivering low birth weight (LBW) and normal birth weight (NBW) babies. A significantly decreased AChE activity was observed in maternal blood and cord blood in TGW as compared with HW in the LBW group. However, it did not change significantly in the NBW group (p < .05). The adjusted regression analysis of birth outcomes (birth weight, head circumference, infant's length, and ponderal index) revealed a significant and positive association with the levels of AChE activity in maternal blood, placenta, and cord blood in TGW (p < .05). The histological analysis showed significantly higher placental syncytial knots, chorangiosis, fibrinoid deposition, necrosis, and stromal fibrosis in the LBW group of TGW. Microinfarction, increased fibrinoid deposition, and atypical villi characteristics, such as mushroom‐like structures, were observed during scanning electron microscopy along with increased HIF‐1α expression in placental tissues of TGW exposed to pesticides. Results suggest that occupational pesticide exposure during pregnancy may decrease AChE activity and cause in utero pathological changes accompanied by an increased HIF‐1α expression, which also contributes to placental insufficiency and fetal growth restriction.
Using nutrient transport data to characterize and identify the presence of surface inlets in regions with subsurface drainage
Authors: Flores Luke , Bailey Ryan T. , Harmel R. Daren 
Published: December 2020

AbstractSurface inlets route ponded surface water into subsurface drainage networks and are prevalent throughout North America. Despite serving as a nutrient loss pathway, contributing to downstream water quality degradation, surface inlets are thought to be underreported in drainage studies within the literature. Previous studies have demonstrated the footprint that surface inlets have on nutrient transport and drainage effluent but are site specific and focused on individual events. Moreover, although their ubiquitous presence is assumed, no regional surface inlet database exists. To this end, a structured review was undertaken with two goals. First, the MANAGE Drain Load database, consisting of nearly 1,500 site‐years of drainage and nutrient data, was analyzed to determine distinctions between areas with and without surface inlets. The median annual total phosphorus (TP) load was greater at site‐years with surface inlets (0.40 kg ha−1) than site‐years without (0.21 kg ha−1). The opposite emerged for dissolved nitrogen (DN) loads as site‐years with surface inlet had a smaller median annual load (3.3 kg ha−1) than site‐years without (23.0 kg ha−1). This relationship is attributed to immobile TP being transported primarily through overland flow and routed to subsurface drains via surface inlets and to relatively more mobile DN being subsurface driven, bypassed in settings with surface inlets. No statistical differences were found in annual drainage or ratios of particulate P to TP between site‐years with and without surface inlets. Second, a logistic regression model was developed that predicts the presence of surface inlets within MANAGE. Eighteen percent of site‐years and 21% of sites were predicted to have surface inlets.
Propofol versus midazolam for sedation during radiofrequency ablation in patients with hepatocellular carcinoma
Authors: Kanogawa Naoya , Ogasawara Sadahisa , Ooka Yoshihiko , Inoue Masanori , Wakamatsu Toru , Yokoyama Masayuki , Maruta Susumu , Unozawa Hidemi , Iwanaga Terunao , Sakuma Takafumi , Fujita Naoto , Koroki Keisuke , Kanzaki Hiroaki , Maeda Takahiro , Kobayashi Kazufumi , Kiyono Soichiro , Nakamura Masato , Kondo Takayuki , Saito Tomoko , Motoyama Tenyu , Suzuki Eiichiro , Nakamoto Shingo , Tawada Akinobu , Chiba Tetsuhiro , Arai Makoto , Kanda Tatsuo , Maruyama Hitoshi , Kato Jun , Takemura Ryo , Nozaki‐Taguchi Natsuko , Shiroh Isono , Yokosuka Osamu , Kato Naoya 
Published: December 2020

AbstractBackground and AimStandardization of the sedation protocol during radiofrequency ablation (RFA) in patients with hepatocellular carcinoma (HCC) is needed. This randomized, single‐blind, investigator‐initiated trial compared clinical outcomes during and after RFA using propofol and midazolam, respectively, in patients with HCC.MethodsFew‐ and small‐nodule HCC patients (≤3 nodules and ≤3 cm) were randomly assigned to either propofol or midazolam. Patient satisfaction was assessed using a 100‐mm visual analog scale (VAS) (1 mm = not at all satisfied, 100 mm = completely satisfied). Sedation recovery rates 1, 2, 3, and 4 h after RFA were evaluated based on Modified Observer's Assessment of Alertness/Sedation (MOAA/S) scores; full recovery was defined as a MOAA/S score of 5.ResultsBetween July 2013 and September 2017, 143 patients with HCC were enrolled, and 135 patients were randomly assigned to the treatment group. Compared with midazolam, propofol exhibited similar median procedural satisfaction (propofol: 73.1 mm, midazolam: 76.9 mm, P = 0.574). Recovery rates 1 and 2 h after RFA were higher in the propofol group than in the midazolam group. Meanwhile, recovery rates observed 3 and 4 h after RFA were similar in the two groups. The safety profiles during and after RFA were almost identical in the two groups.ConclusionPatient satisfaction was almost identical in patients receiving propofol and midazolam sedation during RFA. Propofol sedation resulted in reduced recovery time compared with midazolam sedation in patients with HCC. The safety profiles of both propofol and midazolam sedation during and after RFA were acceptable.
Cellular and behavioral basis of cannabinioid and opioid interactions: Implications for opioid dependence and withdrawal
Authors: Mohammadkhani Aida , Borgland Stephanie L. 
Published: December 2020

AbstractThe brain's endogenous opioid and endocannabinoid systems are neuromodulatory of synaptic transmission, and play key roles in pain, memory, reward, and addiction. Recent clinical and pre‐clinical evidence suggests that opioid use may be reduced with cannabinoid intake. This suggests the presence of a functional interaction between these two systems. Emerging research indicates that cannabinoids and opioids can functionally interact at different levels. At the cellular level, opioid and cannabinoids can have direct receptor associations, alterations in endogenous opioid peptide or cannabinoid release, or post‐receptor activation interactions via shared signal transduction pathways. At the systems level, the nature of cannabinoid and opioid interaction might differ in brain circuits underlying different behavioral phenomenon, including reward‐seeking or antinociception. Given the rising use of opioid and cannabinoid drugs, a better understanding of how these endogenous signaling systems interact in the brain is of significant interest. This review focuses on the potential relationship of these neural systems in addiction‐related processes.
Factors predicting efficacy of ethanol lock therapy as catheter salvage strategy for pediatric catheter‐related infections
Authors: Ashkenazi‐Hoffnung Liat , Shecter Naama , De‐Vries Irit , Levy Itzhak , Scheuerman Oded , Yarden‐Bilavsky Havatzelet , Bernfeld Yael , Mor Meirav 
Published: December 2020

AbstractAimCatheter‐related infections are difficult to cure, and failure rates are high. We aimed to evaluate the efficacy and safety of ethanol lock therapy (ELT) as catheter salvage strategy in children with central‐line‐associated bloodstream infection (CLABSI), and to identify factors associated with treatment failure.MethodsData were collected of all the children who received ELT for treatment of CLABSI during 2013‐2018 due to failure of standard therapy or multiple catheter‐related infections. Univariate and multivariate analyses of risk‐factors for ELT failure were performed. Catheter salvage rates were compared to those achieved using systemic antimicrobials alone in an historical control group.ResultsA total of 123 ELT episodes among 95 patients were analyzed. The majority of patients had underlying hemato‐oncological disorders. Approximately half the episodes occurred in patients with implantable ports. Early and late treatment failure rates of ELT were 16% (20/123) and 7% (9/123), respectively. Overall, successful catheter salvage was achieved in 78% (96/123) of episodes, compared to 54% using systemic antimicrobials alone (P < .001), including mycobacterium, candida, and most staphylococcus aureus infections. Adverse events were reported in 9% (11/123) of episodes and were mostly mechanical. Multivariate analysis identified four risk factors for ELT failure: Gram‐positive bacteria, elevated C‐reactive protein, signs of tunnel infection, and low absolute neutrophil counts.ConclusionsOur findings support the use of ELT for catheter salvage in children with CLABSI who failed standard therapy or had multiple catheter‐related infections. The identified variables associated with ELT failure may help identify patients who can most benefit from ELT.
Genetic and genomic resources to study natural variation in Brassica rapa
Authors: Lou Ping , Woody Scott , Greenham Kathleen , VanBuren Robert , Colle Marivi , Edger Patrick P. , Sartor Ryan , Zheng Yakun , Levendoski Nathan , Lim Jan , So Calvin , Stoveken Brian , Woody Timothy , Zhao Jianjun , Shen Shuxing , Amasino Richard M. , McClung C. Robertson 
Published: December 2020

AbstractThe globally important crop Brassica rapa, a close relative of Arabidopsis, is an excellent system for modeling our current knowledge of plant growth on a morphologically diverse crop. The long history of B. rapa domestication across Asia and Europe provides a unique collection of locally adapted varieties that span large climatic regions with various abiotic and biotic stress‐tolerance traits. This diverse gene pool provides a rich source of targets with the potential for manipulation toward the enhancement of productivity of crops both within and outside the Brassicaceae. To expand the genetic resources available to study natural variation in B. rapa, we constructed an Advanced Intercross Recombinant Inbred Line (AI‐RIL) population using B. rapa subsp. trilocularis (Yellow Sarson) R500 and the B. rapa subsp. parachinensis (Cai Xin) variety L58. Our current understanding of genomic structure variation across crops suggests that a single reference genome is insufficient for capturing the genetic diversity within a species. To complement this AI‐RIL population and current and future B. rapa genomic resources, we generated a de novo genome assembly of the B. rapa subsp. trilocularis (Yellow Sarson) variety R500, the maternal parent of the AI‐RIL population. The genetic map for the R500 x L58 population generated using this de novo genome was used to map Quantitative Trait Loci (QTL) for seed coat color and revealed the improved mapping resolution afforded by this new assembly.
The Combination of Exercise and Manual Therapy Versus Exercise Alone in Total Knee Arthroplasty Rehabilitation: A Randomized Controlled Clinical Trial
Authors: Karaborklu Argut Sezen , Celik Derya , Kilicoglu Onder I. 
Published: December 2020

AbstractBackgroundTotal knee arthroplasty (TKA) is one of the most commonly performed orthopedic surgeries in the lower extremity. However, patient dissatisfaction and functional disability are mostly experienced because of pain and limited range of motion (ROM). Although manual therapy is commonly implemented to improve ROM and modulate pain in the management of musculoskeletal disorders, there is a lack of evidence about its clinical effectiveness on postoperative TKA rehabilitation.ObjectiveTo investigate the effectiveness of an exercise program combined with manual therapy compared with an exercise program only for pain, ROM, function, quality of life, and patient satisfaction outcomes.DesignA randomized controlled clinical trial.SettingRehabilitation unit of a university hospital.ParticipantsForty‐two patients (68.45 ± 6.3 years) scheduled for unilateral TKA as a treatment of severe osteoarthritis.InterventionsJoint and soft tissue mobilizations in addition to exercise therapy were provided to the mobilization group (n = 21) while the control group received exercise therapy only (n = 21).Main Outcome MeasuresThe outcome measures were numeric pain‐rating scale, knee ROMs, Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) score, 10‐meter walk test (10MWT), 5‐times sit to stand test (5SST), and Short Form‐12 (SF‐12).ResultsImprovements in pain outcomes were significantly higher in the mobilization group than in the control group (P = .001, F [3, 33] = 7.06) and the between‐group difference in change score was 1.3 points (P = .001). Although the between‐group difference in change score was 12.8° for knee flexion at 2 months (P = .001), the overall group‐by‐time interactions were not significant for flexion and extension ROMs (P = .175, F [3, 33] = 1.75 and P = .57, F [2, 34] = 0.56, respectively). Additionally, there were statistically meaningful group‐by‐time interactions on total WOMAC score (P = .006, F [2, 34] = 5.29), 10MWT (P = .002, F [3, 33] = 5.98), and SF‐12 mental component summary (P = .01, F [2, 34] = 4.92) favoring the mobilization group. Also, patient satisfaction was higher in the mobilization group (P = .02).ConclusionsA structured exercise program combined with manual therapy can be more beneficial in improving pain, function, and patient satisfaction compared to exercise program alone for postoperative TKA patients.
Factors associated with outcome following exercise interventions for Achilles tendinopathy: A systematic review
Authors: Färnqvist Kenneth , Morrissey Dylan , Malliaras Peter 
Published: December 2020

AbstractObjectiveThis systematic review aimed to synthesize current evidence on contributing factors influencing outcome following exercise management for Achilles tendinopathy (AT).Data SourcesDatabases (PubMed, Embase, and Cochrane Library) were searched from inception to February 2020.Study SelectionStudies investigating factors (e.g., age, BMI) associated with outcome (e.g., pain and function questionnaires) following exercise interventions for AT were included.Data ExtractionData were extracted into a standardized form, including patient demographics, population sample, study type, factors associated with outcome, and outcome measures.Data SynthesisMeta‐analysis was planned to be performed, where appropriate. Where data could not be pooled, we summarized the findings descriptively.ResultsSix studies investigating 11 different factors were included; overall the quality of evidence was poor. There was conflicting evidence that imaging measures had an association with a change in VISA‐A outcome. These included signal intensity and tendon size determined by MRI, and Ultrasound Tissue Characterization echopattern. Three studies found that duration of symptoms was not associated with a change in VISA‐A. Also, three studies found that age, and one study found that prior sporting activity level, were not associated with outcome. Baseline pain with activity, baseline VISA‐A, sex, and BMI were inconsistently associated with specific outcomes.ConclusionDue to the poor quality of evidence overall, no firm conclusions can be drawn. At best, there was inconsistent evidence that imaging factors, baseline pain and function, BMI, and sex showed some associations with outcomes, but these findings need to be confirmed in more extensive studies.