bluuebunny/crossref_metadata_2025_split huggingface dataset:
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
Authors: Röder Konstantin , Joseph Jerelle A. , Husic Brooke E. , Wales David J. 
Published: January 2019

AbstractThis report advances the hypothesis that multifunctional systems may be associated with multifunnel potential and free energy landscapes, with particular focus on biomolecules. It compares systems that exhibit single, double, and multiple competing structures, and contrasts multifunnel landscapes associated with misfolded amyloidogenic oligomers, which presumably do not arise as an evolutionary target. In this context, intrinsically disordered proteins could be considered intrinsically multifunctional molecules, associated with multifunnel landscapes. Potential energy landscape theory enables biomolecules to be treated in a common framework together with self‐organizing and multifunctional systems based on inorganic materials, atomic and molecular clusters, crystal polymorphs, and soft matter.
Nanostructured Mesoporous Zinc‐Incorporated Copper Oxide (NMZI‐CuO): An Efficient and Reusable Nanocatalyst for the Synthesis of Esters through C−H Functionalization
Authors: Moaddeli Ali , Rousta Marzieh , Shekouhy Mohsen , Khalili Dariush , Samadi Mohammad , Khalafi‐Nezhad Ali 
Published: January 2019

AbstractNanostructured mesoporous zinc‐incorporated copper oxide (NMZI‐CuO), an efficient and reusable heterogeneous nanocatalyst, was successfully prepared and fully characterized by XRD analysis, IR spectroscopy, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), inductively coupled plasma atomic emission spectroscopy (ICP‐OES), Brunauer‐Emmett‐Teller analysis (BET), energy‐dispersive X‐ray (EDX) spectroscopy, and X‐ray photoelectron spectroscopy (XPS) methods and was successfully applied for the synthesis of esters through a direct sp3 C−H functionalization of alkyl benzenes. Using this method a broad range of benzyl alcohols as well as aryl aldehydes and alkyl benzenes were reacted via a cross‐dehydrogenative coupling (CDC) process and all desired esters were obtained in good to excellent yields after relatively short times. The catalyst was recovered and reused several times without any detectable loss of activity. Moreover, presented catalyst was successfully applied for selective 5′ esterification of nucleosides using alkyl benzenes without protecting the 2′ and 3′ hydroxyl groups.
Fullerene‐Filled Liquid‐Crystal Stars: A Supramolecular Click Mechanism for the Generation of Tailored Donor–Acceptor Assemblies
Authors: Lehmann Matthias , Dechant Moritz , Holzapfel Marco , Schmiedel Alexander , Lambert Christoph 
Published: January 2019

AbstractTwo shape‐persistent star mesogens with oligo(phenylene ethenylene) arms and a phthalocyanine core—one providing free space (2) and one sterically encumbered by four fullerenes attached through spacers (3)—have been successfully synthesized. In contrast to the smaller discotic derivative 1, mesogen 2 forms a columnar liquid crystal (LC), which can only be partially aligned without π‐stacking, while 3 is not an LC. Exceptionally, the 1:1 mixture of 2 and 3 forms an alignable columnar LC with strong π‐stacking and quadruply helically organized fullerenes by an unprecedented click process that is similar to a ball detent mechanism. The C60 units also interconnect different columns. This is driven by nanosegregation and space‐filling of the voids with fullerenes. Photophysical studies confirm the presence of a light‐collecting system that generates charge‐separated states in solution and in the solid state, which makes such highly organized materials attractive for the study of future photovoltaic devices.
Healing of carbon fiber reinforced plastics by Diels–Alder based polymers: Effects of healing agent concentration and curing cycle
Authors: Kotrotsos Athanasios , Tsokanas Panayiotis , Tsantzalis Stavros , Kostopoulos Vassilis 
Published: January 2019

ABSTRACTSelf‐healing resin (Bismaleimide prepolymer, BMI pp) based on Diels–Alder reaction mechanism was integrated into high performance carbon fiber reinforced plastics (CFRPs). Reference and BMI pp modified CFRPs were manufactured by incorporating grains of the self‐healing agent (SHA) in the mid‐thickness interlaminar region through sieving. First, the effect of the SHA concentration on the toughening and healing performance of CFRPs was studied under mode I fracture loading. The SHA was able to enhance the interlaminar fracture toughness of the composite to a certain extent and also to offer a moderate thermally activated healing functionality. Also, the effect of the curing temperature on the same results was studied; it was found the decrease of the curing temperature slightly decreases the fracture toughness while increases the healing efficiency of the composite. Finally, optical microscopy examinations were conducted and three‐point bending tests were utilized to study the in‐plane mechanical properties of the composites. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47478.
Fire retardant mechanism of PA66 modified by a “trinity” reactive flame retardant
Authors: Fu Hao , Cui Yihua , Lv Jipeng 
Published: January 2019

ABSTRACTA “trinity” reactive flame retardant (TRFR) was successfully synthesized from pentaerythritol, phosphorus oxychloride (POC), andp‐aminobenzoic acid in two steps. The flame retardant polyamide 66 (PA66) was prepared by polymerizing TRFR with PA66 salt; the structural changes during the heating process, the morphology, and composition after combustion of flame retardant PA66 were analyzed. Fourier transform infrared, scanning electron microscopy, and Raman analysis results showed that the TRFR structure on flame retardant PA66 decomposed at the temperature of 25–550 °C, forming compounds containing phosphorus, carbon, and nitrogen, respectively. These compounds promoted the dehydration of the combustion surface to form char, increased the char formation rate, and produced nonflammable gases, resulting in a dense, porous, noncombustible carbon layer. The carbon layer may isolate oxygen and heat, thereby preventing the polymer from sustainability of combustion. When the TRFR salt content was 3%, TRFR flame retardant PA66 has excellent flame retardancy with limited oxygen index value of 29 and UL94 of V‐0 rating. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2020,137, 47488.
Feedback stabilization of discrete time singularly perturbed systems with communication constraints
Authors: Tian Yitao , Liu Wei , Que Xuejie 
Published: January 2019

AbstractIn this paper, the quantized feedback problem for a class of discrete time singularly perturbed systems with information constraints is considered. First, a proper coder‐decoder pair is presented so that the transmission errors tend to zero exponentially under information constraints. Next, linear matrix inequalities are constructed such that the resulting closed‐loop system is input‐to‐state stable (ISS) with respect to the transmission error, and the asymptotic stability of the closed‐loop system also can be guaranteed. The theoretical results have shown that the presented method is simple and easy to operate. Moreover, the upper bound of the small perturbed parameter of the stable system can be explicitly estimated using this feasible method. Finally, two numerical examples are given to illustrate the effectiveness of the proposed method.
A cascade control approach to active suspension using pneumatic actuators
Authors: Li Yuchao , Feng Lei , Wang Yu 
Published: January 2019

AbstractOperators of forest machinery suffer from intensive whole body vibrations, which are big threats to their health. Therefore, it is important to investigate effective seat undercarriages and control methods for vibration reduction. This paper addresses the control problem of a novel seat undercarriage with pneumatic actuators customized for forest machinery. A two‐layer cascade control structure is developed, where the top layer consists of a group of proportional controllers to regulate the position of pneumatic actuators and the bottom layer is a sliding mode controller for force and stiffness tracking. The advantage of the sliding mode control is to achieve robust control performance with coarse system models. The paper demonstrates that the proposed control structure is better than a traditional PID controller. The robust stability of the sliding mode controller is proved by the Lyapunov's method. Experiments show its capability of reducing at least 20% amplitude of seat vibrations from 0.5 to 1 Hz.
Functional Electrocatalysts Derived from Prussian Blue and its Analogues for Metal‐Air Batteries: Progress and Prospects
Authors: Deng Chen , Wang Da‐Wei 
Published: January 2019

AbstractMetal‐air batteries holding exceptionally high energy densities have been heavily explored recently amongst the promising next generation energy suppliers. However, their development for real application is restricted mainly due to the sluggish rates of the oxygen‐reduction reaction (ORR) and oxygen‐evolution reaction (OER) in the positive electrode. Thus, searching a facile way to attain highly efficient ORR and OER electrocatalysts are highly desirable. The key factors to improve the electrochemical performance of materials are to optimize their low‐dimensional feature and adjust effective compositions. Prussian blue and its analogues (PB/PBAs) with open framework have attracted growing attention as hopeful precursors and templates to diverse transition metal‐based materials and carbon hybrids for ORR and OER. Compared to other precursors, PB/PBAs are more feasible for large‐scale application due to their easy preparation, low cost, tuneable compositions and great environmental friendliness. In this review, recent progresses in the utilization of PB/PBA to rationally design and synthesize complex composites with controlled morphologies, sizes, and compositions for ORR, OER and metal‐air batteries are described in detail. Afterwards, a brief summary of the synthetic methods to complex transition metal‐based compositions with nanostructures converted from PB/PBAs are provided. Lastly, the research challenges and possible development direction of open framework materials for metal‐air batteries are outlined through analysing the merits and drawbacks of using PB/PBAs as precursors.
Teilerneuerung der Waschmühltalbrücke im Zuge der A6
Authors: Wörner Rolf , Donauer Franz‐Josef , Bernhardt Lars , Winkler Bernd 
Published: January 2019

AbstractDie Autobahn A6 ist eine der wichtigsten in Ost‐West‐Richtung verlaufenden Verkehrswege in Süddeutschland. Um der heutigen und zukünftigen Verkehrsbelastung mit über 70.000 Kfz/Tag gerecht zu werden, wird die A6 bei Kaiserslautern derzeit sechsstreifig ausgebaut. Auf der Ausbaustrecke liegt mit der Waschmühltalbrücke eine der wenigen, bisher noch weitgehend unveränderten Großbrücken aus der Zeit der Reichsautobahnen. Sie wurde in den Jahren 1935 bis 1937 erbaut und steht unter Denkmalschutz.Es stellte sich die Entwurfsaufgabe, die beiden schmalen Sandsteinbogenreihen des Bestands zu erhalten und mit einer Konstruktion zu überbauen, die ausreichend Platz für den neuen Fahrbahnquerschnitt bietet. Für die bestehende Brücke musste eine Überbeanspruchung des Bestands insbesondere durch Zwangeinwirkungen zuverlässig ausgeschlossen werden. Hierzu wurde zwischen Bestand und neuem Überbau eine flächige Gleitebene ausgebildet. Durch rechnerische Untersuchungen konnte nachgewiesen werden, dass auf diese Weise die Beanspruchung des Bestands auch unter Berücksichtigung des Einflusses unvermeidbarer Ebenheitstoleranzen in der Gleitebene erheblich reduziert werden kann.Für die Bauausführung der Gleitschicht wurden spezifische Anforderungen an die Eigenschaften und Ebenheit der Gleitschicht formuliert. Die Einhaltung dieser Anforderungen wurde mit einem maßgeschneiderten Qualitätssicherungssystem kontrolliert und sichergestellt.
On the interpretation of the hazard ratio in Cox regression
Authors: De Neve Jan , Gerds Thomas A. 
Published: January 2019

AbstractWe argue that the term “relative risk” should not be used as a synonym for “hazard ratio” and encourage to use the probabilistic index as an alternative effect measure for Cox regression. The probabilistic index is the probability that the event time of an exposed or treated subject exceeds the event time of an unexposed or untreated subject conditional on the other covariates. It arises as a well known and simple transformation of the hazard ratio and nicely reveals the interpretational limitations. We demonstrate how the probabilistic index can be obtained using the R‐package Publish.
Surgical training programmes in the South Pacific, Papua New Guinea and Timor Leste
Authors: Watters D A , McCaig E , Nagra S , Kevau I 
Published: January 2019

Abstract

Background
There is a surgical workforce shortage in Papua New Guinea (PNG), the Pacific and Timor Leste. Previously, Pacific Island specialists who trained overseas tended to migrate.

Methods
A narrative review was undertaken of the training programmes delivered through the University of Papua New Guinea and Fiji National University's Fiji School of Medicine, and support provided through Australian Aid and the Royal Australasian College of Surgeons (RACS), including scholarships and visiting medical teams.

Results
The Fiji School of Medicine MMed programme, which commenced in 1998, has 39 surgical graduates. Sixteen of 22 Fijians, nine of ten Solomon Islanders and four of five in Vanuatu currently reside and/or work in-country. Surgical training in PNG began in 1975, and now has 104 general surgical graduates, 11 of whom originate from the Pacific Islands or Timor Leste. The PNG retention rate of local graduates is 97 per cent, with 80 per cent working in the public sector. Twenty-two surgeons have also undertaken subspecialty training. Timor Leste has trained eight surgical specialists in PNG, Fiji, Indonesia or Malaysia. All have returned to work in-country. The RACS has managed Australian Aid programmes, providing pro bono visiting medical teams to support service delivery and, increasingly, capacity building in the region. The RACS has funded scholarships and international travel grants to further train or sustain the surgical specialists.

Conclusion
The local MMed programmes have been highly successful in retaining specialists in the region. Partnerships with Australian Aid and RACS have been effective in ensuring localization of the faculty and ongoing professional development.
Prevalence and predictors of surgical-site infection after caesarean section at a rural district hospital in Rwanda
Authors: Nkurunziza T , Kateera F , Sonderman K , Gruendl M , Nihiwacu E , Ramadhan B , Cherian T , Nahimana E , Ntakiyiruta G , Habiyakare C , Ngamije P , Matousek A , Gaju E , Riviello R , Hedt-Gauthier B 
Published: January 2019

AbstractBackgroundThere are few prospective studies of outcomes following surgery in rural district hospitals in sub-Saharan Africa. This study aimed to estimate the prevalence and predictors of surgical-site infection (SSI) following caesarean section at Kirehe District Hospital in rural Rwanda.MethodsAdult women who underwent caesarean section between March and October 2017 were given a voucher to return to the hospital on postoperative day (POD) 10 (±3 days). At the visit, a physician evaluated the patient for an SSI. A multivariable logistic regression model was used to identify risk factors for SSI, built using backward stepwise selection.ResultsOf 729 women who had a caesarean section, 620 were eligible for follow-up, of whom 550 (88·7 per cent) returned for assessment. The prevalence of SSI on POD 10 was 10·9 per cent (60 women). In the multivariable analysis, the following factors were significantly associated with SSI: bodyweight more than 75 kg (odds ratio (OR) 5·98, 1·56 to 22·96; P = 0·009); spending more than €1·1 on travel to the health centre (OR 2·42, 1·31 to 4·49; P = 0·005); being a housewife compared with a farmer (OR 2·93, 1·08 to 7·97; P = 0·035); and skin preparation with a single antiseptic compared with a combination of two antiseptics (OR 4·42, 1·05 to 18·57; P = 0·043). Receiving either preoperative or postoperative antibiotics was not associated with SSI.ConclusionThe prevalence of SSI after caesarean section is consistent with rates reported at tertiary facilities in sub-Saharan Africa. Combining antiseptic solutions for skin preparation could reduce the risk of SSI.
Abnormalities of white matter microstructure in unmedicated patients with obsessive–compulsive disorder: Changes after cognitive behavioral therapy
Authors: Zhong ZhaoXi , Yang XiangYun , Cao RuiXiang , Li Ping , Li ZhanJiang , Lv LuXian , Zhang Dai 
Published: January 2019

AbstractBackgroundCognitive behavioral therapy (CBT) is an effective treatment for Obsessive–compulsive disorder (OCD). Structural and functional white matter defects may suggest a vital neurobiological basis of OCD. However, the effects of CBT on white matter in OCD remain unknown.ObjectiveThe aim was to investigate white matter changes and the effect of CBT on white matter in OCD patients.MethodsFractional anisotropy (FA) maps were acquired using DTI. Participants included 85 patients with OCD and 90 healthy controls. VBM was then performed to detect regions with significant group differences.ResultsObsessive–compulsive disorder patients exhibited significantly reduced FA values in bilateral OFC, right cerebellum, and left SPG, while higher FA values were observed in right PUT compared with healthy controls. Following CBT, OCD patients showed higher FA values in right MFG, left OFC, right cerebellum, and left MTG, and decreased FA values in right PUT in comparison with pretreatment. Furthermore, FA values in the left OFC of patients were significantly positively correlated with the Y‐BOCS and its associated Compulsions subscale, and FA values in the right PUT were positively correlated with Compulsions subscale. In addition, the percentage change in FA values in left MTG was positively correlated with the percentage reduction in Compulsions subscale, while the percentage change in FA values in left OFC and right PUT was negatively correlated with the percentage reductions in Obsessive and Compulsions subscale, respectively.ConclusionsOur findings demonstrate the abnormalities of white matter microstructure in unmedicated patients with OCD. These abnormalities may be partly reversed by CBT.
Selection, Addiction and Catalysis: Emerging Trends for the Incorporation of Noncanonical Amino Acids into Peptides and Proteins in Vivo
Authors: Mayer Clemens 
Published: January 2019

AbstractExpanding the genetic code of organisms by incorporating noncanonical amino acids (ncAAs) into target proteins through the suppression of stop codons in vivo has profoundly impacted how we perform protein modification or detect proteins and their interaction partners in their native environment. Yet, with genetic code expansion strategies maturing over the past 15 years, new applications that make use—or indeed repurpose—these techniques are beginning to emerge. This Concept article highlights three of these developments: 1) The incorporation of ncAAs for the biosynthesis and selection of bioactive macrocyclic peptides with novel ring architectures, 2) synthetic biocontainment strategies based on the addiction of microorganisms to ncAAs, and 3) enzyme design strategies, in which ncAAs with unique functionalities enable the catalysis of new‐to‐nature reactions. Key advances in all three areas are presented and potential future applications discussed.
Prognostic significance of prior ischemic stroke in patients with coronary artery disease undergoing percutaneous coronary intervention
Authors: Wang Hao , Ning Xiaohui , Zhu Chenggang , Yin Dong , Feng Lei , Xu Bo , Guan Changdong , Dou Kefei 
Published: January 2019

AbstractObjectivesTo investigate the long‐term outcomes of percutaneous coronary intervention (PCI) in patients with previous ischemic stroke.BackgroundIschemic stroke and coronary artery disease (CAD) are leading causes of death that often coexist with each other. With the increased use of PCI in high‐risk patients with CAD, the association between prior ischemic stroke and cardiovascular/cerebrovascular events in patients with CAD undergoing PCI has been a topic of interest.MethodsWe enrolled 10,300 consecutive patients who had undergone PCI from January 2013 to December 2013 and classified them into the prior ischemic stroke group (n = 1,106) and no prior ischemic stroke group (n = 9,194). The primary outcome was major adverse cardiovascular and cerebrovascular events (MACCEs) during follow‐up. The secondary endpoints included each component of the primary endpoint and stent thrombosis (ST).ResultsOverall, 10.7% patients had a history of ischemic stroke. At a median 29‐month follow‐up, MACCEs following PCI occurred with 2‐year incidences of 15.4% in the prior ischemic stroke group and 11.7% in the no prior ischemic stroke group. Cox regression analysis demonstrated that prior ischemic stroke was independently associated with a higher risk of MACCEs (adjusted hazard ratio [HR] = 1.294; 95% confidence interval [CI]: 1.100–1.522; P = 0.002), recurrent stroke (adjusted HR = 2.463; 95% CI: 1.729–3.507; P = 0.000), and ST (adjusted HR = 1.787; 95% CI: 1.075–2.971; P = 0.025). A high residual syntax score and low renal function were independent risk factors for MACCEs.ConclusionsIncreased concern and active treatment strategies are needed in patients undergoing PCI who have a history of ischemic stroke.
Entwicklung von Biopolymermembranen mit funktionellen Eigenschaften
Authors: Schäffer Jörg , Ibrahim Amir , Grüner‐Lempart Sabine 
Published: January 2019

AbstractDie vielfältigen Möglichkeiten der Anwendung von Beschichtungen mit Biopolymeren legen es nahe, derartige Membranen mit gezielten Eigenschaften auszustatten. Die vorliegende Arbeit beschäftigt sich mit dem Einfluss verschiedener Additive und Prozessparameter auf die Stabilität und Durchlässigkeit von Biopolymermembranen, im Speziellen von Alginatfilmen. Als Modellsystem dienen im Vertropfungsverfahren hergestellte Alginatsphären. Neben den unterschiedlichen Effekten von Additiven zeigt sich, dass die mechanische Stabilität und Durchlässigkeit unabhängig voneinander beeinflusst werden können.