bluuebunny/crossref_metadata_2025_split huggingface dataset:
The promotional role of water in heterogeneous catalysis: mechanism insights from computational modeling
Authors: Chang Chun‐Ran , Huang Zheng‐Qing , Li Jun 
Published: June 2016

Water is the key to life in our planet. As one of the most abundant resources on the earth, water may play important roles in chemical reactions in addition to being a reaction medium. In this review, we highlight recent advances in experimental observations and mechanistic understanding of the promotional role of water in chemical reactions, with an emphasis on the essential effects of water in heterogeneous catalysis. As water may exist in molecular state or dissociate to hydroxyl (OH) and hydrogen (H) species on catalyst surfaces, we have outlined the roles of water from three aspects: (1) the promotional role of molecular water including the solvation‐like effect and water‐mediated H‐transfer, (2) the promotional role of OH/OH
− and H/H+
species, and (3) some miscellaneous effects of water, such as water‐assisted carbon removal, surface reconstruction, and active sites blocking. The results discussed here provide a fundamental understanding of the promotional role of water in heterogeneous reactions and may inspire the theoretical studies of water effects on other fields of chemistry and atmospheric science as well. WIREs Comput Mol Sci 2016, 6:679–693. doi: 10.1002/wcms.1272This article is categorized under:

Structure and Mechanism > Reaction Mechanisms and Catalysis
Structure and Mechanism > Computational Materials Science
Software > Molecular Modeling
Cryo‐electron microscopy and cryo‐electron tomography of nanoparticles
Authors: Stewart Phoebe L. 
Published: June 2016

Cryo‐transmission electron microscopy (cryo‐TEM or cryo‐EM) and cryo‐electron tomography (cryo‐ET) offer robust and powerful ways to visualize nanoparticles. These techniques involve imaging of the sample in a frozen‐hydrated state, allowing visualization of nanoparticles essentially as they exist in solution. Cryo‐TEM grid preparation can be performed with the sample in aqueous solvents or in various organic and ionic solvents. Two‐dimensional (2D) cryo‐TEM provides a direct way to visualize the polydispersity within a nanoparticle preparation. Fourier transforms of cryo‐TEM images can confirm the structural periodicity within a sample. While measurement of specimen parameters can be performed with 2D TEM images, determination of a three‐dimensional (3D) structure often facilitates more spatially accurate quantization. 3D structures can be determined in one of two ways. If the nanoparticle has a homogeneous structure, then 2D projection images of different particles can be averaged using a computational process referred to as single particle reconstruction. Alternatively, if the nanoparticle has a heterogeneous structure, then a structure can be generated by cryo‐ET. This involves collecting a tilt‐series of 2D projection images for a defined region of the grid, which can be used to generate a 3D tomogram. Occasionally it is advantageous to calculate both a single particle reconstruction, to reveal the regular portions of a nanoparticle structure, and a cryo‐electron tomogram, to reveal the irregular features. A sampling of 2D cryo‐TEM images and 3D structures are presented for protein based, DNA based, lipid based, and polymer based nanoparticles. WIREs Nanomed Nanobiotechnol 2017, 9:e1417. doi: 10.1002/wnan.1417This article is categorized under:

Therapeutic Approaches and Drug Discovery > Emerging Technologies
Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Development and validation of an instrument to assess future orientation and resilience in adolescence
Authors: Di Maggio Ilaria , Ginevra Maria Cristina , Nota Laura , Soresi Salvatore 
Published: June 2016

ABSTRACTThe study is aimed at providing the development and initial validation of the Design My Future (DMF), which may be administered in career counseling and research activities to assess adolescents' future orientation and resilience. Two studies with two independent samples of Italian adolescents were conducted to examine psychometric requisites of DMF. Specifically, in the first study, after developing items and examined the content validity, the factorial structure, reliability and discriminant validity of the DMF were tested. In the second study, the measurement invariance across gender, conducing a sequence of nested CFA models, was evaluated. Results showed good psychometric support for the instrument with Italian adolescents.
Effect of aerobic exercise on physical performance in patients with Alzheimer's disease
Authors: Sobol Nanna Aue , Hoffmann Kristine , Frederiksen Kristian Steen , Vogel Asmus , Vestergaard Karsten , Brændgaard Hans , Gottrup Hanne , Lolk Annette , Wermuth Lene , Jakobsen Søren , Laugesen Lars , Gergelyffy Robert , Høgh Peter , Bjerregaard Eva , Siersma Volkert , Andersen Birgitte Bo , Johannsen Peter , Waldemar Gunhild , Hasselbalch Steen Gregers , Beyer Nina 
Published: June 2016

AbstractIntroductionKnowledge about the feasibility and effects of exercise programs to persons with Alzheimer's disease is lacking. This study investigated the effect of aerobic exercise on physical performance in community‐dwelling persons with mild Alzheimer's disease.MethodsThe single blinded multi‐center RCT (ADEX) included 200 patients, median age 71 yrs (50‐89). The intervention group received supervised moderate‐to‐high intensity aerobic exercise 1 hour × 3/week for 16 weeks. Assessments included cardiorespiratory fitness, single‐task physical performance, dual‐task performance and exercise self‐efficacy.ResultsSignificant between‐group differences in change from baseline (mean [95%CI]) favored the intervention group for cardiorespiratory fitness (4.0 [2.3‐5.8] ml/kg/min, P <0.0001) and exercise self‐efficacy (1.7 [0.5‐2.8] points, P =0.004). Furthermore, an exercise attendance of ≥66.6% resulted in significant positive effects on single‐task physical performance and dual‐task performance.DiscussionAerobic exercise has the potential to improve cardiorespiratory fitness, single‐task physical performance, dual‐task performance and exercise self‐efficacy in community‐dwelling patients with mild Alzheimer's disease.
Effectiveness of sugammadex for cerebral ischemia/reperfusion injury
Authors: Ozbilgin Sule , Yılmaz Osman , Ergur Bekir Ugur , Hancı Volkan , Ozbal Seda , Yurtlu Serhan , Gunenc Sakize Ferim , Kuvaki Bahar , Kucuk Burcu Ataseven , Sisman Ali Rıza 
Published: June 2016

AbstractCerebral ischemia may cause permanent brain damage and behavioral dysfunction. The efficacy and mechanisms of pharmacological treatments administered immediately after cerebral damage are not fully known. Sugammadex is a licensed medication. As other cyclodextrins have not passed the necessary phase tests, trade preparations are not available, whereas sugammadex is frequently used in clinical anesthetic practice. Previous studies have not clearly described the effects of the cyclodextrin family on cerebral ischemia/reperfusion (I/R) damage. The aim of this study was to determine whether sugammadex had a neuroprotective effect against transient global cerebral ischemia. Animals were assigned to control, sham‐operated, S 16 and S 100 groups. Transient global cerebral ischemia was induced by 10‐minute occlusion of the bilateral common carotid artery, followed by 24‐hour reperfusion. At the end of the experiment, neurological behavior scoring was performed on the rats, followed by evaluation of histomorphological and biochemical measurements. Sugammadex 16 mg/kg and 100 mg/kg improved neurological outcome, which was associated with reductions in both histological and neurological scores. The hippocampus TUNEL (terminal deoxynucleotidyl transferase dUTP nick end labeling) and caspase results in the S 16 and S 100 treatment groups were significantly lower than those of the I/R group. Neurological scores in the treated groups were significantly higher than those of the I/R group. The study showed that treatment with 16 mg/kg and 100 mg/kg sugammadex had a neuroprotective effect in a transient global cerebral I/R rat model. However, 100 mg/kg sugammadex was more neuroprotective in rats.
Electromyographic Changes in Trunk Muscles During Graded Lumbar Stabilization Exercises
Authors: Kim Chung Reen , Park Dae Kwon , Lee Seok Tae , Ryu Ju Seok 
Published: June 2016

AbstractBackgroundLumbar stabilization exercises are effective for the treatment of patients with low back pain. However, personalized exercise programs are required to facilitate more efficient treatment, as each individual exhibits the different characteristics of the trunk muscles and pain.ObjectiveTo determine the effects of graded lumbar stabilization exercises on the trunk muscles in healthy individuals, using surface electromyography.DesignA cross‐sectional prospective study.SettingOutpatient pain clinic.ParticipantsTen healthy male participants without low back pain were recruited on a volunteer basis.MethodsFour common lumbar stabilization exercises were selected, including the curl up, dead bug, Superman, and bird dog exercises. Each exercise was divided into 5 intensity levels, with participants performing all exercises at each intensity level, to a total of 20 exercises. Electromyographic changes in the trunk muscles according to intensity level were analyzed.Main Outcome MeasurementsUsing superficial electromyography, the peak amplitude and area under the curve for each of the rectus abdominis (RA), external oblique abdominis (EO), multifidus (MF), and erector spinae (ES) muscles were measured.ResultsIn general, as the level of intensity increased, the activity of the related lumbar stabilizing muscles also increased significantly (P < .05). Specifically, the peak amplitudes of the RA (P = .008) and EO (P < .001) were increased during the curl up exercise, whereas the peak amplitudes of the MF (P < .001) and ES (P = .002) were increased during the bird dog exercise. The prolonged exercise duration of the Superman exercise increased the mean area under the curve of MF, ES, and RA (P < .001).ConclusionsUsing a graded exercise program, an appropriate level of exercise intensity can be prescribed and modulated according to patient tolerance and physical ability. Therefore, a graded lumbar stabilization exercise program may represent an effective way to strengthen the lumbar stabilizing muscles in patients with low back pain.
Calidad de reanimación cardiopulmonar avanzada efectuada por residentes de primer año en un hospital de segundo nivel
Authors: Ortegón Cetina Carlos Jesús , De los Santos Rodríguez Moisés Natanael , Sierra Basto Gilberto 
Published: June 2016

Introducción: El paro cardiorrespiratorio es una situación de urgencia, debe ser resuelta de manera rápida y correcta; los médicos residentes en las unidades clínicas muchas veces se enfrentan a esta situación con poca oportunidad para la reflexión sobre la calidad de sus habilidades en reanimación avanzada con el propósito de identificar y corregir áreas de oportunidad.
Objetivo: Se evaluó la calidad de la reanimación cardiopulmonar (RCP) avanzada en adultos efectuada por médicos residentes del primer año que no han recibido educación formal mediante modelos de simulación.
Método: El diseño del estudio fue: observacional, transversal, prospectivo, descriptivo, denominado de diagnóstico situacional. Se evalúo a 18 residentes de especialidades médicas del Hospital General Agustín O’Horán de los Servicios de Salud en Yucatán (5 de Cirugía General, 5 de Ginecología y Obstetricia, 5 de Medicina Interna, 2 de Medicina Integrada y uno de Traumatología y Ortopedia), ninguno de los participantes tuvo entrenamiento formal en RCP. Se capacitó respecto al uso del equipo de simulación previo a la práctica, el lugar correcto para dar las compresiones en el maniquí y la manera de colocar y utilizar el electrocardiógrafo y desfibrilador, se les presentó el mismo caso, una paciente con fibrilación ventricular que permanece así en todo momento, la competencia en resucitación cardiopulmonar avanzada fue evaluada empleando las listas de comprobación de la Sociedad Americana del Corazón.
Resultados: Reconocimiento del problema 10(56%), compresiones eficientes 5(27.7%), ventilaciones eficientes ninguna, reconocimiento y manejo de una fibrilación ventricular 3(17%), desempeño adecuado y efectuado en todos los componentes (RCP de calidad) ninguno.
Conclusiones: Más de la mitad de los residentes identificaron el ritmo causante del paro cardiorrespiratorio, menos de la cuarta parte lograron un manejo integral eficiente, es necesario complementar la enseñanza de RCP en modelos de simulación a los médicos de los primeros años de las residencias médicas.
Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Authors: Shu Bo , Gong Peng 
Published: June 2016

Significance
RNA viruses encode a unique class of RNA-dependent RNA polymerases (RdRPs) to carry out their fully RNA-based genome replication and transcription. Although the chemical nature of nucleotide addition is essentially shared by all nucleic acid polymerases, the structural and mechanistic details taken by each polymerase class differ to various extents. Here we report seven crystal structures of enterovirus 71 RdRP elongation complex at 2.5–2.8 Å resolution. In these structures the polymerases are poised at various distinct stages to reveal mechanistic details of initial NTP binding, key amino acid side-chain conformational switches during active site closure, and in particular the postcatalysis movement of the RNA duplex on the way to vacate the active site for the next nucleotide addition cycle.
Dynamics and mechanism of ultrafast water–protein interactions
Authors: Qin Yangzhong , Wang Lijuan , Zhong Dongping 
Published: June 2016

Significance
Hydration water around a protein is fundamental to protein’s property and function. How hydration water interacts with protein at their interface has not been fully understood. A universal slaving model that water drives protein fluctuations has been proposed, but direct experimental observation is difficult and challenging. Here, we directly measured hydration water dynamics and protein side-chain relaxations with temperature dependence. With extensive data, we conclude that the surface hydration-shell fluctuations drive protein side-chain motions on the picosecond time scales and thus play a critical role in protein dynamics.
N-cadherin relocalization during cardiac trabeculation
Authors: Cherian Anoop V. , Fukuda Ryuichi , Augustine Sruthy Maria , Maischein Hans-Martin , Stainier Didier Y. R. 
Published: June 2016

Significance
The process of trabeculation is central to heart development and maturation, as it allows the increase in muscle mass before the formation of coronaries. This complex process involves a number of morphological changes in a subset of cardiomyocytes, resulting in their delamination from the compact layer. As cardiomyocytes delaminate, they must also remain attached to the compact layer. We identified Erb-b2 receptor tyrosine kinase 2-mediated relocalization of N-cadherin (Cdh2) as a mechanism underlying the formation of cell–cell junctions between trabecular and compact layer cardiomyocytes. Interestingly, we found that blood flow and heart contraction are also essential for the localization of Cdh2 molecules. These studies further our understanding of the complex cell biological processes underlying the maturation of the vertebrate heart.
GsdmD p30 elicited by caspase-11 during pyroptosis forms pores in membranes
Authors: Aglietti Robin A. , Estevez Alberto , Gupta Aaron , Ramirez Monica Gonzalez , Liu Peter S. , Kayagaki Nobuhiko , Ciferri Claudio , Dixit Vishva M. , Dueber Erin C. 
Published: June 2016

Significance
Pyroptosis is a form of cell death that is critical for eliminating innate immune cells infected with intracellular bacteria. Microbial products such as lipopolysaccharide, which is a component of Gram-negative bacteria, trigger activation of the inflammatory caspases 1, 4, 5, and 11. These proteases cleave the cytoplasmic protein Gasdermin-D into two pieces, p20 and p30. The p30 fragment is cytotoxic when liberated from the p20 fragment. Our work suggests that p30 induces pyroptosis by associating with cell membranes and forming pores that perturb vital electrochemical gradients. The resulting imbalance causes the cell to lyse and release intracellular components that can alert other immune cells to the threat of infection.
Language interaction effects in bimodal bilingualism
Authors: Koulidobrova Elena V. 
Published: June 2016

AbstractThe focus of the paper is a phenomenon well documented in both monolingual and bilingual English acquisition: argument omission. Previous studies have shown that bilinguals acquiring a null and a non-null argument language simultaneously tend to exhibit unidirectional cross-language interaction effects — the non-null argument language remains unaffected but over-suppliance of overt elements in the null argument language is observed. Here subject and object omission in both ASL (null argument) and English (non-null argument) of young ASL-English bilinguals is examined. Results demonstrate that in spontaneous English production, ASL-English bilinguals omit subjects and objects to a higher rate, for longer, and in unexpected environments when compared with English monolinguals and bilinguals; no effect on ASL is observed. Findings also show that the children differentiate between their two languages — rates of argument omission in English are different during ASL vs. English target sessions differ. Implications for the general theory of bilingual effects are offered.
SLAH1, a homologue of the slow type anion channel SLAC1, modulates shoot Cl− accumulation and salt tolerance inArabidopsis thaliana
Authors: Qiu Jiaen , Henderson Sam W , Tester Mark , Roy Stuart J , Gilliham Mathew 
Published: June 2016

AbstractSalinity tolerance is correlated with shoot chloride (Cl–) exclusion in multiple crops, but the molecular mechanisms of long-distance Cl– transport are poorly defined. Here, we characterize the in planta role of AtSLAH1 (a homologue of the slow type anion channel-associated 1 (SLAC1)). This protein, localized to the plasma membrane of root stelar cells, has its expression reduced by salt or ABA, which are key predictions for a protein involved with loading Cl– into the root xylem. Artificial microRNA knockdown mutants of AtSLAH1 had significantly reduced shoot Cl− accumulation when grown under low Cl–, whereas shoot Cl– increased and the shoot nitrate/chloride ratio decreased following AtSLAH1 constitutive or stelar-specific overexpression when grown in high Cl–. In both sets of overexpression lines a significant reduction in shoot biomass over the null segregants was observed under high Cl– supply, but not low Cl– supply. Further in planta data showed AtSLAH3 overexpression increased the shoot nitrate/chloride ratio, consistent with AtSLAH3 favouring nitrate transport. Heterologous expression of AtSLAH1 in Xenopus laevis oocytes led to no detectible transport, suggesting the need for post-translational modifications for AtSLAH1 to be active. Our in planta data are consistent with AtSLAH1 having a role in controlling root-to-shoot Cl– transport.
Joint Effects of Exposure to Prenatal Infection and Peripubertal Psychological Trauma in Schizophrenia
Authors: Debost Jean-Christophe P. G. , Larsen Janne Tidselbak , Munk-Olsen Trine , Mortensen Preben Bo , Meyer Urs , Petersen Liselotte 
Published: June 2016

Abstract

Context
Prenatal infection and traumatizing experiences have both been linked with schizophrenia, but none of these factors seem sufficient to cause the disorder. However, recent evidence suggests that these environmental insults act in synergy to increase schizophrenia risk.

Objective
To estimate the independent and joint effects of exposure to prenatal infection and peripubertal psychological trauma on the risk of schizophrenia.

Design
Danish nationwide registers were linked in this prospective cohort study. We used survival analysis to report incidence rate ratios (IRRs) and corresponding 95% confidence intervals (95% CIs). Analyses were adjusted for age and calendar period and stratified by sex.

Participants
A total of 979701 persons born between 1980 and 1998 were followed up from January 1, 1995 through December 31, 2013, with 9656 having a hospital contact for schizophrenia.

Results
Females exposed to prenatal infection had a significantly increased risk of schizophrenia (IRR: 1.61, 95% CI: 1.30–2.00), but not males (IRR: 0.99, 95% CI: 0.77–1.28). Peripubertal trauma was associated with increased risk in both sexes. Males, however, had a significantly higher risk of schizophrenia after exposure to both prenatal infection and peripubertal psychological trauma (IRR: 2.85, 95% CI: 2.32–3.51), with significant interaction between infection and peripubertal trauma on the multiplicative scale (P = .007).

Conclusions
Our study demonstrated for the first time that prenatal infection and psychological trauma in peripubertal life can act in synergy to increase the risk of schizophrenia, with a potentially stronger susceptibility in males.
Reciprocal Risk of Acute Kidney Injury and Acute Respiratory Distress Syndrome in Critically Ill Burn Patients*
Authors: Clemens Michael S. , Stewart Ian J. , Sosnov Jonathan A. , Howard Jeffrey T. , Belenkiy Slava M. , Sine Christy R. , Henderson Jonathan L. , Buel Allison R. , Batchinsky Andriy I. , Cancio Leopoldo C. , Chung Kevin K. 
Published: June 2016

Objective:
To evaluate the association between acute respiratory distress syndrome and acute kidney injury with respect to their contributions to mortality in critically ill patients.

Design:
Retrospective analysis of consecutive adult burn patients requiring mechanical ventilation.

Setting:
A 16-bed burn ICU at tertiary military teaching hospital.

Patients:
Adult patients more than 18 years old requiring mechanical ventilation during their initial admission to our burn ICU from January 1, 2003, to December 31, 2011.

Interventions:
None.

Measurements and Main Results:
A total 830 patients were included, of whom 48.2% had acute kidney injury (n = 400). These patients had a 73% increased risk of developing acute respiratory distress syndrome after controlling for age, gender, total body surface area burned, and inhalation injury (hazard ratio, 1.73; 95% CI, 1.18–2.54; p = 0.005). In a reciprocal multivariate analysis, acute respiratory distress syndrome (n = 299; 36%) demonstrated a strong trend toward developing acute kidney injury (hazard ratio, 1.39; 95% CI, 0.99–1.95; p = 0.05). There was a 24% overall in-hospital mortality (n = 198). After adjusting for the aforementioned confounders, both acute kidney injury (hazard ratio, 3.73; 95% CI, 2.39–5.82; p < 0.001) and acute respiratory distress syndrome (hazard ratio, 2.16; 95% CI, 1.58–2.94; p < 0.001) significantly contributed to mortality. Age, total body surface area burned, and inhalation injury were also significantly associated with increased mortality.

Conclusions:
Acute kidney injury increases the risk of acute respiratory distress syndrome in mechanically ventilated burn patients, whereas acute respiratory distress syndrome similarly demonstrates a strong trend toward the development of acute kidney injury. Acute kidney injury and acute respiratory distress syndrome are both independent risks for subsequent death. Future research should look at this interplay for possible early interventions.