bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure of the SLC4 transporter Bor1p in an inward‐facing conformation
Authors: Coudray Nicolas , L. Seyler Sean , Lasala Ralph , Zhang Zhening , Clark Kathy M. , Dumont Mark E. , Rohou Alexis , Beckstein Oliver , Stokes David L. 
Published: October 2016

AbstractBor1p is a secondary transporter in yeast that is responsible for boron transport. Bor1p belongs to the SLC4 family which controls bicarbonate exchange and pH regulation in animals as well as borate uptake in plants. The SLC4 family is more distantly related to members of the Amino acid‐Polyamine‐organoCation (APC) superfamily, which includes well studied transporters such as LeuT, Mhp1, AdiC, vSGLT, UraA, SLC26Dg. Their mechanism generally involves relative movements of two domains: a core domain that binds substrate and a gate domain that in many cases mediates dimerization. To shed light on conformational changes governing transport by the SLC4 family, we grew helical membrane crystals of Bor1p from Saccharomyces mikatae and determined a structure at ∼6 Å resolution using cryo‐electron microscopy. To evaluate the conformation of Bor1p in these crystals, a homology model was built based on the related anion exchanger from red blood cells (AE1). This homology model was fitted to the cryo‐EM density map using the Molecular Dynamics (MD) Flexible Fitting method and then relaxed by all‐atom MD simulation in explicit solvent and membrane. Mapping of water accessibility indicates that the resulting structure represents an inward‐facing conformation. Comparisons of the resulting Bor1p model with the X‐ray structure of AE1 in an outward‐facing conformation, together with MD simulations of inward‐facing and outward‐facing Bor1p models, suggest rigid body movements of the core domain relative to the gate domain. These movements are consistent with the rocking‐bundle transport mechanism described for other members of the APC superfamily.
Phosphorylation of KLHL3 at serine 433 impairs its interaction with the acidic motif of WNK4: a molecular dynamics study
Authors: Wang Lingyun , Peng Ji‐Bin 
Published: October 2016

AbstractInteraction between the acidic motif (AM) of protein kinase WNK4 and the Kelch domain of KLHL3 are involved in the pathogenesis of pseudohypoaldosteronism type II, a hereditary form of hypertension. This interaction is disrupted by some disease‐causing mutations in either WNK4 or KLHL3, or by angiotensin II‐ and insulin‐induced phosphorylation of KLHL3 at serine 433, which is also a site frequently mutated in patients. However, the mechanism by which this phosphorylation disrupts the interaction is unclear. In this study, we approached this problem using molecular dynamics simulation with structural, dynamical and energetic analyses. Results from independent simulations indicate that when S433 was phosphorylated, the electrostatic potential became more negative in the AM binding site of KLHL3 and therefore was unfavorable for binding with the negatively charged AM. In addition, the intermolecular hydrogen bond network that kept the AM stable in the binding site of KLHL3 was disrupted, and the forces for the hydrophobic interactions between the AM of WNK4 and KLHL3 were also reduced. As a result, the weakened interactions were no longer capable of holding the AM of WNK4 at its binding site in KLHL3. In conclusion, phosphorylation of KLHL3 at S433 disrupts the hydrogen bonds, hydrophobic and electrostatic interactions between the Kelch domain of KLHL3 and the AM of WNK4. This study provides a key molecular understanding of the KLHL3‐mediated regulation of WNK4, which is an integrative regulator of electrolyte homeostasis and blood pressure regulation in the kidney.Significances Statement: WNK4 is an integrative regulator of electrolyte homeostasis, which is important in the blood pressure regulation by the kidney. Interaction between WNK4 and KLHL3 is a key physiological process that is impaired in a hereditary form of hypertension. This study provides substantial new insights into the role of phosphorylation of KLHL3 in regulating the interaction with WNK4, and therefore advances our understanding of molecular pathogenesis of hypertension and the mechanism of blood pressure regulation.
High‐accuracy modeling of antibody structures by a search for minimum‐energy recombination of backbone fragments
Authors: Norn Christoffer H. , Lapidoth Gideon , Fleishman Sarel J. 
Published: October 2016

ABSTRACTCurrent methods for antibody structure prediction rely on sequence homology to known structures. Although this strategy often yields accurate predictions, models can be stereo‐chemically strained. Here, we present a fully automated algorithm, called AbPredict, that disregards sequence homology, and instead uses a Monte Carlo search for low‐energy conformations built from backbone segments and rigid‐body orientations that appear in antibody molecular structures. We find cases where AbPredict selects accurate loop templates with sequence identity as low as 10%, whereas the template of highest sequence identity diverges substantially from the query's conformation. Accordingly, in several cases reported in the recent Antibody Modeling Assessment benchmark, AbPredict models were more accurate than those from any participant, and the models' stereo‐chemical quality was consistently high. Furthermore, in two blind cases provided to us by crystallographers prior to structure determination, the method achieved <1.5 Ångstrom overall backbone accuracy. Accurate modeling of unstrained antibody structures will enable design and engineering of improved binders for biomedical research directly from sequence. Proteins 2016; 85:30–38. © 2016 Wiley Periodicals, Inc.
Performance of ZDOCK and IRAD in CAPRI rounds 28–34
Authors: Vreven Thom , Pierce Brian G. , Borrman Tyler M. , Weng Zhiping 
Published: October 2016

ABSTRACTWe report the performance of our protein–protein docking pipeline, including the ZDOCK rigid‐body docking algorithm, on 19 targets in CAPRI rounds 28‐34. Following the docking step, we reranked the ZDOCK predictions using the IRAD scoring function, pruned redundant predictions, performed energy landscape analysis, and utilized our interface prediction approach RCF. In addition, we applied constraints to the search space based on biological information that we culled from the literature, which increased the chance of making a correct prediction. For all but two targets we were able to find and apply biological information and we found the information to be highly accurate, indicating that effective incorporation of biological information is an important component for protein–protein docking. Proteins 2017; 85:408–416. © 2016 Wiley Periodicals, Inc.
Combined use of Bacillus subtilis strain B‐001 and bactericide for the control of tomato bacterial wilt
Authors: Peng Di , Luo Kun , Jiang Huidan , Deng Yanan , Bai Lianyang , Zhou Xiaomao 
Published: October 2016

AbstractBACKGROUNDTomato bacterial wilt caused by Ralstonia solanacearum poses a serious threat to tomato production. However, no effective control measures are available. In this study, the bactericide Saisentong was combined with an effective biological control agent, Bacillus subtilis B‐001, to control tomato bacterial wilt under greenhouse and field conditions.RESULTSGrowth of B‐001 in vitro was unaffected by Saisentong. In greenhouse experiments, the combined application of B‐001 and Saisentong via root irrigation or spray resulted in better disease control compared with either agent alone. In two field trials, at a Saisentong concentration of 400 or 500 mg kg−1, the combined treatment was more effective than expected and showed a synergistic effect. A lower concentration of Saisentong (200 or 300 mg kg−1) in combination with B‐001 resulted in an antagonistic effect. However, disease control was significantly greater compared with either treatment alone.CONCLUSIONThe combination of Saisentong and B‐001 effectively controls tomato bacterial wilt. The integrated strategy represents a promising new tool to control this disease. © 2016 Society of Chemical Industry
Enhanced supercapacitance of vertically aligned multi‐wall carbon nanotube array covered by MoS2 nanoparticles
Authors: Koroteev V. O. , Kuznetsova I. V. , Kurenya A. G. , Kanygin M. A. , Fedorovskaya E. O. , Mikhlin Y. L. , Chuvilin A. L. , Bulusheva L. G. , Okotrub A. V. 
Published: October 2016

Vertically aligned multi‐wall carbon nanotube (VA‐MWCNT) arrays have been used for deposition of molybdenum sulphide from a water solution of ammonia molybdate and thiourea. A hydrothermal synthesis at 175 °C resulted in formation of quasi‐spherical nanoparticles inside and on the top surface of arrays without destruction of the array structure. X‐ray photoelectron spectroscopy revealed a molybdenum disulfide (MoS2) composition of the nanoparticles, while Raman spectroscopy detected the bands characteristic of light scattering in the MoS2 crystallites only after a treatment of synthesis products in hydrogen flow. As compared to the initial VA‐MWCNTs, the composites showed enhanced specific capacitances in 1M H2SO4 electrolyte especially at low scan rates due to redox reactions involving MoS2. The reactions were more pronounced for the hydrogen treated composite.Cyclic voltammetry curves demonstrate an enhanced specific capacitance of MoS2/MWCNT array (fragment of the structure is shown in the insert) as compared to initial array due to redox reactions.
The development and error analysis of a kinematic parameters based spatial positioning method for an orthopedic navigation robot system
Authors: Pei Baoqing , Zhu Gang , Wang Yu , Qiao Huiting , Chen Xiangqian , Wang Binbin , Li Xiaoyun , Zhang Weijun , Liu Wenyong , Fan Yubo 
Published: October 2016

AbstractBackgroundSpatial positioning is the key function of a surgical navigation robot system, and accuracy is the most important performance index of such a system.MethodsThe kinematic parameters of a six degrees of freedom (DOF) robot arm were used to form the transformation from intraoperative fluoroscopy images to a robot's coordinate system without C‐arm calibration and to solve the redundant DOF problem. The influences of three typical error sources and their combination on the final navigation error were investigated through Monte Carlo simulation.ResultsThe navigation error of the proposed method is less than 0.6 mm, and the feasibility was verified through cadaver experiments. Error analysis suggests that the robot kinematic error has a linear relationship with final navigation error, while the image error and gauge error have nonlinear influences.ConclusionsThis kinematic parameters based method can provide accurate and convenient navigation for orthopedic surgeries. The result of error analysis will help error design and assignment for surgical robots.
Heterogeneous consensus of higher‐order multi‐agent systems with mismatched uncertainties using sliding mode control
Authors: Mondal Sanjoy , Su Rong , Xie Lihua 
Published: October 2016

SummaryA robust consensus controller is proposed for heterogeneous higher‐order nonlinear multi‐agent systems, when the agent dynamics are involved with mismatched uncertainties. A distributed consensus protocol based on a time‐varying nonhomogeneous finite‐time disturbance observer and sliding mode control is designed to realize the network consensus of higher‐order multi‐agent systems. The time‐varying finite‐time disturbance observer overcomes the problem of peaking value near the initial time caused by the constant gain one and is designed to estimate the uncertainties and to mitigate the effect of mismatched uncertainties during the sliding mode. To eliminate the chattering phenomenon and ensure finite‐time convergence to the sliding surface, the control law is designed by using the super twisting algorithm. Finally numerical simulations are given to illustrate the validity of the proposed method. Copyright © 2016 John Wiley & Sons, Ltd.
Impulsive positive observers and dynamic output feedback stabilization of positive linear continuous systems
Authors: Xiao Jiang‐Wen , Hu Meng‐Jie , Wang Yan‐Wu , Chen Wu‐Hua 
Published: October 2016

SummaryThis paper is concerned with the design and the synthesis of the impulsive positive observer (IPO) for positive linear continuous systems. The IPO can estimate the states for positive systems even when the measured output is only available at discrete‐time instants. In this paper, a time‐varying weighted copositive Lyapunov function is constructed, and the upper and lower bounds of impulsive intervals method combined with the convex combination technique are used to establish sufficient conditions for the existence of the IPO. Furthermore, the design of the dynamic output feedback controller based on the IPO is addressed to positively stabilize positive linear systems. Algorithms are given to design the IPO and the controller, respectively. Finally, two numerical examples are provided to show the effectiveness of the theoretical results. Copyright © 2016 John Wiley & Sons, Ltd.
The importance of provision and utilization of supervisor support
Authors: Munc Alec , Eschleman Kevin , Donnelly Janet 
Published: October 2016

AbstractThree cross‐sectional studies examined the benefits of provision of supervisor support while controlling for subordinate utilization of supervisor support. Data were collected from workers in a subordinate role (Study 1 N = 355; Study 2 N = 229; Study 3 N = 109). Consistent with expectations, provision of supervisor support consistently explained unique variance in affective job criteria while controlling for utilization of supervisor support. The results indicate that supervisors should acknowledge that their workers experience the affective benefits of supervisor support even if the workers do not consistently use the support provided. Contrary to expectations, provision of supervisor support did not consistently explain unique variance in perceived job stressors while controlling for utilization of supervisor support. However, workers must utilize the supervisor support provided in order to perceive fewer job stressors. We recommend supervisors to take caution when relocating their support to different subordinates based solely on a lack of utilization of support, as this may cause higher perceived job stressors for their subordinates based on the lack of provision of that support.
Emotional contagion and burnout among nurses and doctors: Do joy and anger from different sources of stakeholders matter?
Authors: Petitta Laura , Jiang Lixin , Härtel Charmine E.J. 
Published: October 2016

AbstractThe present study adds novel knowledge to the literature on emotional contagion (EC), discrete emotions, job burnout, and the management of healthcare professionals by simultaneously considering EC as both a job demand and a job resource with multiple social pathways. Integrating EC into the job demands‐resource model, we develop and test a conceptual model wherein multiple stakeholder sources of emotional exchanges (i.e., leaders, colleagues, patients) play a differential role in predicting caregivers' absorption of positive (i.e., joy) and negative (i.e., anger) emotions, and in turn, burnout. We tested this nomological network using structural equation modeling and invariance analyses on a sample of 252 nurses and 102 doctors from diverse healthcare wards in three Italian hospitals. Our findings show that not all emotional exchange sources contribute to the EC experience or likelihood of burnout. Specifically, we found that doctors absorbed joy and anger from their colleagues but not from their leaders or patients. In contrast, nurses absorbed joy and anger from leaders, colleagues, and patients. Surprisingly, we found that joy‐absorbed and anger‐absorbed were related to doctors' exhaustion and cynicism, but only to nurses' cynicism. We conclude with suggestions for advancing research and practice in the management of emotions for preventing burnout.
Nonmarket strategy research through the lens of new institutional economics: An integrative review and future directions
Authors: Dorobantu Sinziana , Kaul Aseem , Zelner Bennet 
Published: October 2016

Research summary:We use a novel theoretical framework to synthesize ostensibly disparate streams of nonmarket strategy research. We argue that faced with weak institutions, firms can create and appropriate value by either adapting to, augmenting, or transforming the existing institutional environment, and can do so either independently or in collaboration with others. We use the resulting typology of six distinct nonmarket strategies to provide an integrative review of nonmarket strategy research. We then extend this framework to examine the choice between nonmarket strategies, arguing that this choice depends upon whether the existing institutional environment is incomplete or captured, and discussing other drivers of nonmarket strategy choice, the relationship between these strategies, and their social impact, so as to provide an agenda for future research.Managerial summary:The pursuit of competitive advantage often requires firms to operate in contexts where existing rules and regulations provide inadequate protection. Disruptive technologies open up new opportunities for value creation, but it takes years before appropriate regulations are introduced. Economic reforms open up new markets, but these are often regulated to favor incumbents and politically connected insiders. In such environments, managers must decide whether to adapt their strategies to the existing institutional environment, devote resources to improve it, or try to transform it altogether. In this article, we develop an integrative theoretical framework that connects and synthesizes research examining each of these options, and offers some preliminary thoughts on how managers may choose among these different approaches. Copyright © 2016 John Wiley & Sons, Ltd.
Categories and competition
Authors: Cattani Gino , Porac Joseph F. , Thomas Howard 
Published: October 2016

Research summary: In this article, we review, integrate, and extend the literature on markets, competition, and categories as it applies to strategic management theory. Developments in the literatures of economics and organizational theory have shed new light on market categories and category dynamics. These developments highlight the fact that boundary questions are fundamental to the competitive process, and represent a fertile area for research and theory. The objective is to encourage a theoretically grounded rapprochement between current strategic management research and both older and newer research on categories and competition.Managerial summary: One of the key problems for business strategists is understanding the competitive environment and interpreting the effects of competition on a business. This article attempts to integrate various literatures in the study of competition by suggesting that strategists play a crucial role in linking abstract categories of firms and products that have become part of an industry's terminology with real‐time competitive processes taking place among firms and buyers. Strategists interpret cues such as cross‐elasticities of demand among their own and competing products and connect these cues to taken‐for‐granted categories demarcating the boundaries of markets. Simultaneously, strategists are introducing new categories by reformulating old nomenclatures and introducing new ones. We also trace the possible effects of this ‘competitive sensemaking’ on firm behaviors. Copyright © 2016 John Wiley & Sons, Ltd.
Value capture theory: A strategic management review
Authors: Gans Joshua , Ryall Michael D. 
Published: October 2016

Research summary: This article provides the first review of a growing line of scholarly work in strategy that we refer to as “value capture theory.” The common thread in this work is its use of cooperative game theory as a general, mathematical foundation upon which to build a deep understanding of firm performance in market settings. Our review: (1) describes the primary elements of the theory; (2) highlights important blindspots that it resolves with respect to existing theoretical approaches; (3) calls attention to several of its novel insights; and (4) summarizes a myriad of applications and empirical studies that have appeared in recent years using value capture theory.Managerial summary: Traditionally, theoretical claims in strategic management have been supported by informal, qualitative reasoning. Recently, however, a new line of theoretical work based upon mathematical methods, known as “value capture theory,” has been gaining in popularity. This article reviews the recent advances in this line with a particular emphasis upon a number of its important insights, several of which challenge longstanding propositions from the traditional line. For managers, the formal nature of value capture theory is well‐aligned with data‐driven analyses of strategic situations. Copyright © 2016 John Wiley & Sons, Ltd.
Real options theory in strategic management
Authors: Trigeorgis Lenos , Reuer Jeffrey J. 
Published: October 2016

Research summary: This article provides a review of real options theory (ROT) in strategic management research. We review the fundamentals of ROT and provide a taxonomy of this research. By synthesizing and critiquing research on real options, we identify a number of important challenges as well as opportunities for ROT if it is to enhance its impact on strategic management and potentially develop into a theoretical pillar in the field. We examine how ROT can inform the key tensions that managers face between commitment versus flexibility as well as between competition versus cooperation, and we show how it can uniquely address the fundamental issues in strategy. We conclude with suggestions on future research directions that could enhance and unify the thus‐far distinct main approaches to real options research.Managerial summary: Real options theory (ROT) applies the heuristics and valuation models originally designed for financial securities to the domain of corporate investment decisions (e.g., joint ventures [JVs], foreign direct investment, research and development [R&D], etc.) and strategic decision making under uncertainty. This article provides a synthesis of this body of research in strategic management and related disciplines. We suggest how ROT can address fundamental issues of strategy, including the dilemmas managers face between commitment versus flexibility as well as between competition versus cooperation. We discuss how three distinct approaches to real options analysis can complement each other, and we identify some of the main challenges and opportunities for ROT to become a theoretical pillar in strategy. Copyright © 2016 John Wiley & Sons, Ltd.