bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vanillic acid as phospholipase A2 and proteases inhibitor: In vitro and computational analyses
Authors: S. Cesar Pedro H. , Trento Marcus V. , Sales Thais A. , A. Simão Anderson , C. Ramalho Teodorico , Marcussi Silvana 
Published: May 2020

AbstractEnzymatic inhibition by natural compounds may represent a valuable adjuvant in snakebite serum therapy. The objective in this work was to evaluate possible in vitro interactions between vanillic acid and enzymes from Bothrops spp. and Crotalus durissus terrificus venoms, and also suggest a theory as how they interact based on molecular docking. Vanillic acid inhibited the phospholipase activity induced by Bothrops alternatus (∼25% inhibition); the caseinolytic activity induced by Bothrops atrox (∼30%), Bothrops jararacussu (∼44%), and C. d. terrificus (∼33%); the fibrinogenolysis induced by B. jararacussu, B. atrox, and C. d. terrificus (100%); the serine protease activity induced by Bothrops moojeni (∼45%) and Bothrops jararaca (∼66%); the hemolytic activity induced by B. moojeni (∼26%); the thrombolysis activity induced by B. atrox (∼30%) and B. jararacussu (∼20%); and the thrombotic activity induced by C. d. terrificus (∼8%). The compound was also capable of delaying the coagulation time in citrated plasma by 60, 35, and 75 Sec, when incubated with B. moojeni, B. atrox, and B. jararaca, respectively. The results obtained expand the possibilities for future pharmaceutical use of vanillic acid, considering the high homology degree among human and snake venom phospholipases A2 and proteases (involved in chronic inflammatory diseases). Also, this compound can be used as adjuvant to improve currently available treatments for ophidism victims.
Clinical and immunological features of platelet transfusion refractoriness in young patients with de novo acute myeloid leukemia
Authors: Hu Xuelian , Cai Haodong , Zheng Lu , Luo Yi , Zhou Jing , Hui Yan , Dai Zhenyu , Lin Haolong , Li Dengju , Xiao Yi , Huang Liang , Zhou Jianfeng 
Published: May 2020

AbstractPlatelet transfusion is important in the prevention and treatment of bleeding in patients with acute myeloid leukemia (AML) after receiving intensive chemotherapy. However, platelet transfusion refractoriness (PTR) is an intractable clinical issue occurred in these patients. And its clinical and immunological features remain largely unknown. The potential causes and clinical features of PTR were retrospectively analyzed in 560 patients who were diagnosed as de novo AML in Tongji Hospital from June 2012 through June 2018. A high‐throughput antibody screening for the detection of human leukocyte antigen (HLA) and its serotypes was performed in 133 newly diagnosed AML patients. PTR occurred in 11.8% of the de novo AML patients. The median age for patients with PTR was 46 years (range, 15‐70). It frequently manifested in female patients and in patients with splenomegaly, M4 subtype, c‐Kit gene mutation, and rearrangements of RUNX1‐RUNX1T1 or CBFB‐MYH11, commonly referred to as core binding factor AML (CBF‐AML). Notably, CBF‐AML was independently associated with the occurrence of PTR. PTR predominantly developed in patients who had CBF‐AML (P < .001) and in patients who further had better minimal residual disease (MRD) reduction (≥3‐log) before the second consolidation chemotherapy (P = .007). HLA‐I antibodies were detected in the serum of 9.0% of AML patients and markedly enriched in patients with PTR (P < .001) and in patients with CBF‐AML (P = .018). HLA‐B was the most frequently identified serum epitope in PTR patients. Patients with CBF‐AML had higher tendency to develop HLA‐I antibodies and PTR, which depicted novel features of PTR in AML and might provide insights into its efficient managements.
Crime victimization distress, neighbourhood social cohesion and perceived police effectiveness
Authors: Avery Eileen E. , Hermsen Joan M. , Towne Katelynn 
Published: May 2020

AbstractDespite important policy implications, there is scant research on the relationship between distress from victimization and perceptions of police effectiveness. This study investigates the relationship between extent of distress due to violent victimization and perceptions of local law enforcement. In addition, we examine the way that perceived neighbourhood social cohesion accounts for the relationship. We use data from a U.S. statewide victimization survey to estimate regression models that compare victims of violent crime with no/mild distress, victims with moderate/severe distress and nonvictims of violent crime on ratings of police effectiveness. Models include controls for local crime and poverty rates, demographic characteristics, property crime victimization and respondents' exposure to negative policing via media and their own contact with law enforcement. Results show that 10% of respondents are victims of violent crime, and among victims, 40% report no/mild distress and 60% report moderate/severe distress. While victims with greater distress rate police lower on the effectiveness scale, these differences can be accounted for by controls for neighbourhood context, especially the level of perceived social cohesion. Results suggest neighbourhood social environments should be incorporated into models of perceptions of police effectiveness and policing more broadly and that increasing social cohesion may improve police‐community dynamics.
Synthesis of Stable NAD+ Mimics as Inhibitors for the Legionella pneumophila Phosphoribosyl Ubiquitylating Enzyme SdeC
Authors: Madern Jerre M. , Kim Robbert Q. , Misra Mohit , Dikic Ivan , Zhang Yong , Ovaa Huib , Codée Jeroen D. C. , Filippov Dmitri V. , van der Heden van Noort Gerbrand J. 
Published: May 2020

AbstractStable NAD+ analogues carrying single atom substitutions in either the furanose ring or the nicotinamide part have proven their value as inhibitors for NAD+‐consuming enzymes. To investigate the potential of such compounds to inhibit the adenosine diphosphate ribosyl (ADPr) transferase activity of the Legionella SdeC enzyme, we prepared three NAD+ analogues, namely carbanicotinamide adenosine dinucleotide (c‐NAD+), thionicotinamide adenosine dinucleotide (S‐NAD+) and benzamide adenosine dinucleotide (BAD). We optimized the chemical synthesis of thionicotinamide riboside and for the first time used an enzymatic approach to convert all three ribosides into the corresponding NAD+ mimics. We thus expanded the known scope of substrates for the NRK1/NMNAT1 enzyme combination by turning all three modified ribosides into NAD+ analogues in a scalable manner. We then compared the three NAD+ mimics side‐by‐side in a single assay for enzyme inhibition on Legionella effector enzyme SdeC. The class of SidE enzymes to which SdeC belongs was recently identified to be important in bacterial virulence, and we found SdeC to be inhibited by S‐NAD+ and BAD with IC50 values of 28 and 39 μM, respectively.
2,3‐Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism
Authors: Song Mengkun , Zhang Xuemei , Liu Weidong , Feng Jinghui , Cui Yunfeng , Yao Peiyuan , Wang Min , Guo Rey‐Ting , Wu Qiaqing , Zhu Dunming 
Published: May 2020

AbstractA 2,3‐dihydroxybenzoic acid decarboxylase from Fusarium oxysporum (2,3‐DHBD_Fo) has a relatively high catalytic efficiency for the decarboxylation of 2,3‐dihydroxybenzoic acid (DHBA) and carboxylation of catechol, thus it has a different substrate spectrum from other benzoic acid decarboxylases. We have determined the structures of 2,3‐DHBD_Fo in its apo form and complexes with catechol or 2,5‐dihydroxybenzoic acid at 1.55, 1.97, and 2.45 Å resolution, respectively. The crystal structures of 2,3‐DHBD_Fo show that the enzyme exists as a homotetramer, and each active center has a Zn2+ ion coordinated by E8, H167, D291 and three water molecules. This is different from 2,6‐DHBD from Rhizobium sporomusa, in which the Zn2+ ion is also coordinated with H10. Surprisingly, mutation of A10 of 2,3‐DHBD_Fo to His resulted in almost complete loss of the enzyme activity. Enzyme‐substrate docking and site‐directed mutation studies indicate that residue R233Δ interacts with the 3‐hydroxy group of 2,3‐DHBA, and plays an important role in substrate recognition for this enzyme, thus revealing the molecular basis 2,3‐dihydroxybenzoic acid decarboxylase.
Fixed, high‐volume alcohol dose for septal ablation: High risk with no benefit
Authors: Kimmelstiel Carey , Rowin Ethan J. 
Published: May 2020

Key Points
Alcohol volume is positively correlated with mortality following alcohol septal ablation (ASA).
Over time, there has been a trend to use lower volumes of alcohol for ASA. Most cases can and should be performed using 1–2 cc of alcohol.
The volume of alcohol utilized during septal ablation should be determined by anatomic and clinical features of the individual patient.
Incorporation of Functional Groups in Porphyrinic Metal‐Organic Frameworks by Post‐modification for Highly Efficient Oxidation Catalysis
Authors: Ji Jinhua , Liu Fan , Yang Weijun , Tan Mingyang , Luo Weiping , Yin Shuang‐Feng 
Published: May 2020

AbstractUnder kinetic guidance, the stable metal‐organic framework PCN‐224 was synthesized and used as the parent MOF to embed Mn3+ to form PCN‐224(Mn). A molecule with two‐linked carboxyl groups and fluorine‐containing groups, which named 2,2′‐bis(trifluoromethyl)‐4,4′‐diphenyl phthalate (H2L), was also designed and synthesized. The PCN‐224(Mn) was then modified by introducing the H2L into its structure, forming a new hydrophobic porphyrinic MOF of PCN‐224(Mn)‐H2L. The catalytic oxidation performance of PCN‐224(Mn)‐H2L to cyclohexane was investigated. It was found that the hydrophobicity and stability of PCN‐224(Mn)‐H2L was improved markedly, and it had excellent catalytic performance with a selectivity to KA (mixture of cyclohexanone and cyclohexanol) of 90 %, a cyclohexane conversion rate of 51.3 % under mild reaction conditions, which far superior to that of PCN‐224(Mn) and the homogeneous metalloporphyrin catalysts. The catalyst remained stable after several repeated experiments.
Iridium‐Catalyzed Asymmetric Isomerization of Primary Allylic Alcohols Using MaxPHOX Ligands: Experimental and Theoretical Study
Authors: Cabré Albert , Garçon Martí , Gallen Albert , Grisoni Lorenzo , Grabulosa Arnald , Verdaguer Xavier , Riera Antoni 
Published: May 2020

AbstractThe asymmetric isomerization of primary allylic alcohols to chiral aldehydes using iridium‐catalysts bearing P,N‐MaxPHOX ligands has been studied. These catalysts can be fine‐tuned as they present three different stereogenic centers to modulate both the reactivity and enantioselectivity of a family of different substrates. The experimental part is supported by a DFT study of the reaction mechanism, which provides new insights into the key steps of this transformation.
C 1‐Chemie: Formaldehyd und seine Polymere
Authors: Offermanns Heribert 
Published: May 2020

ZusammenfassungFormaldehyd wird aus dem C 1‐Basisprodukt Methanol und vielleicht in Zukunft direkt aus dem Abgas CO2 hergestellt. Die Homo – und Copolymeren des Formaldehyds (POM) sind sehr bedeutende Konstruktionswerkstoffe. Als C 1‐Werkstoff ist POM wegen der Rohstoffbasis (CO2) und der Recyclierbarkeit besonders zukunftsfähig, sozusagen ein potenzieller „grüner“ Kunststoff.
Salivary duct carcinoma: Updates in histology, cytology, molecular biology, and treatment
Authors: Nakaguro Masato , Tada Yuichiro , Faquin William C. , Sadow Peter M. , Wirth Lori J. , Nagao Toshitaka 
Published: May 2020

Salivary duct carcinoma (SDC) is an aggressive subtype of primary salivary gland carcinoma, often with an advanced stage at presentation and high rates of metastasis and recurrence. It most commonly arises in the parotid gland of older men and microscopically resembles high‐grade breast ductal carcinoma. While 50 years have lapsed since the first report of this entity, recent intensive studies have shed light on its biologic, genetic, and clinical characteristics. The diagnosis of SDC is aided by the immunohistochemical expression of androgen receptor (AR) coupled with its characteristic histomorphology. Fine‐needle aspiration typically reveals cytologic features of high‐grade carcinoma, and ancillary studies using cell block material can facilitate the specific diagnosis of SDC. In surgical specimens, certain histologic features are important prognostic factors, including nuclear pleomorphism, mitotic counts, vascular invasion, and the morphology at the invasion front. Several clinical studies have shown promising results using targeted therapy for AR and human epidermal growth factor receptor 2 (HER2), and the latest version of the National Comprehensive Cancer Network guidelines recommends the evaluation of AR and HER2 status before treatment. Recent molecular analyses have revealed multiple heterogeneous alterations in well‐known oncogenes and tumor suppressor genes, including TP53, HRAS, PIK3CA, PTEN, and BRAF. Clinical trials of drugs targeting these genes may broaden the treatment options for SDC in the near future.
Unlocking Structure–Reactivity Relationships for Catalytic Hydrogenolysis of Lignin into Phenolic Monomers
Authors: Wang Shuizhong , Li Wen‐Xin , Yang Yue‐Qin , Chen Xiaohong , Ma Jiliang , Chen Changzhou , Xiao Ling‐Ping , Sun Run‐Cang 
Published: May 2020

AbstractLignin depolymerization into aromatic monomers with high yields and selectivity is essential for the economic feasibility of biorefinery. However, the relationship between lignin structure and its reactivity for upgradeability is still poorly understood, in large part owing to the difficulty in quantitative characterization of lignin structural properties. To overcome these shortcomings, advanced NMR technologies [2D HSQC (heteronuclear single quantum coherence) and 31P] were used to accurately quantify lignin functionalities. Diverse lignin samples prepared from Eucalyptus grandis with varying β‐O‐4 linkages were subjected to Pd/C‐catalyzed hydrogenolysis for efficient C−O bond cleavage to achieve theoretical monomer yields. Strong correlations were observed between the yield of monomeric aromatic compounds and the structural features of lignin, including the contents of β‐O‐4 linkages and phenolic hydroxyl groups. Notably, a combined yield of up to 44.1 wt % was obtained from β‐aryl ether rich in native lignin, whereas much lower yields were obtained from technical lignins low in β‐aryl ether content. This work quantitatively demonstrates that the lignin reactivity for acquiring aromatic monomer yields varies depending on the lignin fractionation processes.
Solid–Electrolyte Interphase During Battery Cycling: Theory of Growth Regimes
Authors: von Kolzenberg Lars , Latz Arnulf , Horstmann Birger 
Published: May 2020

AbstractThe capacity fade of modern lithium ion batteries is mainly caused by the formation and growth of the solid–electrolyte interphase (SEI). Numerous continuum models support its understanding and mitigation by studying SEI growth during battery storage. However, only a few electrochemical models discuss SEI growth during battery operation. In this article, a continuum model is developed that consistently captures the influence of open‐circuit potential, current direction, current magnitude, and cycle number on the growth of the SEI. The model is based on the formation and diffusion of neutral lithium atoms, which carry electrons through the SEI. Recent short‐ and long‐term experiments provide validation for our model. SEI growth is limited by either reaction, diffusion, or migration. For the first time, the transition between these mechanisms is modelled. Thereby, an explanation is provided for the fading of capacity with time t of the form tβ with the scaling coefficent β, 0≤β≤1. Based on the model, critical operation conditions accelerating SEI growth are identified.
Genomics and Infectious Diseases: Expert Perspectives on Public Health Considerations regarding Actionability and Privacy
Authors: Walker Alexis , Boyce Angie , Duggal Priya , Thio Chloe L. , Geller Gail 
Published: May 2020

ABSTRACTThere is growing evidence that human genetics plays a significant role in shaping human responses to infectious diseases. For instance, individuals' genetic susceptibility or resistance to infectious disease is likely to affect disease transmission. Yet little attention has been paid to the ethical, legal, and social implications of research in genomics and infectious disease, despite the unique ethical issues that arise in this arena. This article presents results from a pilot study exploring ethics in research on human genetics and response to HIV and other infectious diseases and is focused on perspectives from expert stakeholders. Whereas chairs of institutional review boards, biobank directors, and researchers in genomics and infectious disease expressed similar views about research privacy in the context of a public health emergency, they expressed different perspectives about the role that public health considerations ought to play in the return of individual results to research participants. These perspectives highlight the need to emphasize the importance of broad dialogue for helping various parties navigate the ethically complex current and future challenges of genomics and infectious disease research.
Potentially harmful drug prescription in elderly patients with heart failure with reduced ejection fraction
Authors: Alvarez Paulino A. , Gao Yubo , Girotra Saket , Mentias Amgad , Briasoulis Alexandros , Vaughan Sarrazin Mary S. 
Published: May 2020

AbstractAimsThis study aimed to evaluate the prescription frequency of potentially harmful prescription drugs as defined in current heart failure guidelines among elderly patients with a diagnosis of heart failure with reduced ejection fraction and their association with clinical outcomes.Methods and resultsWe used the Centers for Medicare & Medicaid Services data from a nationally representative 5% sample for the years 2014–2016 to identify patients admitted to acute care hospitals with a primary diagnosis of heart failure with reduced ejection fraction. The primary exposure was filling a prescription for a potentially harmful drug. Potentially harmful drug fills were treated as a time‐dependent covariate to examine their association on readmission and mortality. A total of 8993 patients met study criteria. Potentially harmful drugs were prescribed in 1077 (11.9%) patients within 90 days of discharge from the heart failure hospitalization. Non‐steroidal anti‐inflammatory agents were the most frequently prescribed potentially harmful drug (6.7%) followed by calcium channel blockers (4.7%), thiazolidinedione (0.59%), and select antiarrhythmic (0.33%). Factors independently associated with potentially harmful drug prescription were female gender, Hispanic ethnicity, severe obesity, among others. In the multivariable Cox model, the prescription of a potentially harmful drug was associated with an increased risk of readmission (hazard ratio 1.14; 95% confidence interval 1.05–1.23, P < 0.001). Among drug subgroups, only calcium channel blockers were associated with an increased risk of readmission (hazard ratio 1.225; 95% confidence interval 1.085–1.382, P = 0.0011).ConclusionsIn elderly patients discharged with a primary diagnosis of heart failure with reduced ejection fraction on guideline‐directed medical therapy, prescription of a potentially harmful drug was frequent. Calcium channel blockers were associated with an increased risk of readmission.
Headache attributed to craniocervical dystonia: A prospective cohort study
Authors: Eugenio Ramalho Bezerra Marcos , Sampaio Rocha‐Filho Pedro A. 
Published: May 2020

AbstractBackgroundCervical dystonia is the most common form of focal idiopathic dystonia and is frequently associated with pain. Headaches are not considered to be more prevalent among patients presenting with cervical dystonia, and headaches attributed to craniocervical dystonia are considered to be a rare disorder, despite the lack of studies and clinical information regarding the subject.ObjectivesTo investigate the prevalence, characteristics and impact of headaches attributed to craniocervical dystonia in cervical dystonia patients receiving treatment with botulinum toxin type‐A (BoT‐A).MethodsTwenty‐four patients presenting with cervical dystonia were assessed before receiving their scheduled BoNT‐A injections and then again approximately 4 and 16 weeks after, regarding the clinical characteristics of their dystonia and headaches. Headaches were classified in accordance with the current International Classification of Headache Disorders. We used the Short Form‐36 Health Survey, Hospital Anxiety and Depression Scale, Headache Impact Test‐6, Toronto Western Spasmodic Torticollis Rating Scale and McGill Pain Questionnaire.ResultsNineteen patients (79.1%) presented with cervical dystonia associated with pain and 18 (75.0%) with headaches. The prevalence of headaches attributed to craniocervical dystonia was 29.2%; HIT‐6: 60.1 ± 9.9. Patients with headaches presented significantly poorer TWSTRS pain scores, compared to patients with no headaches. Those with headaches attributed to craniocervical dystonia presented with more disability and demonstrated a significant improvement in the impact of headaches after BoNT‐A injections, together with an improvement in the dystonia.ConclusionsHeadaches are highly prevalent amongst cervical dystonia patients, have an impact on their quality of life and improves after BoNT‐A injections.SignificanceWe found that headaches are more frequent among patients with cervical dystonia than previously thought, and that they contribute towards an overall increase in pain in these patients. Headaches attributed to craniocervical dystonia are associated with greater disability among patients with cervical dystonia. These headaches improve after botulinum toxin injections, in parallel with the improvement of cervical dystonia symptoms.
Is there a Future in the Sustainability Certification of Sardine and Anchovy Fisheries?
Authors: Izquierdo-Peña Vanessa , Lluch-Cota Salvador E , Chavez Francisco P , Lluch-Cota Daniel B , Morales-Bojórquez Enrique , Ponce-Díaz Germán 
Published: May 2020

Abstract
Small pelagic fisheries management is difficult because they exhibit large natural abundance fluctuations and are considered forage fish. We discuss the challenges faced by these fisheries within the Marine Stewardship Council (MSC) sustainability certification framework, which evaluates the sustainability of fish stocks, the environmental impact, and effective fisheries management. Certification suspension is frequently linked to the sustainability of stocks. For MSC certification, scientific research will need to play a major role in filling key knowledge gaps, particularly on the nature and causes of ecosystem productivity changes (including climate change), and the role of small pelagics in the ecosystem. Different from other cases where MSC certification creates a direct market incentive through price premiums, in these fisheries, the incentive is related to fisher's public image and improves the bases for negotiation with authorities and the conservation sector. In this context, strategic cooperation between fisheries under the certification process may provide them more benefits than competition.