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https://www.readbyqxmd.com/read/28737777/post-synthetic-transformation-of-a-zn-ii-polyhedral-coordination-network-into-a-new-supramolecular-isomer-of-hkust-1
#1
Yao Chen, Lukasz Wojtas, Shengqian Ma, Michael J Zaworotko, Zhenjie Zhang
A Zn-based porphyrin containing metal-organic material (porphMOM-1) was transformed into a novel Cu-based porphyrin-encapsulating metal-organic material (porph@HKUST-1-β) via a one-pot post-synthetic modification (PSM) process involving both metal ion exchange and linker installation of trimesic acid. HKUST-1-β is the first example of yao topology and is to our knowledge the first supramolecular isomer of the archetypal coordination network HKUST-1.
July 24, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28737728/neighbor-affinity-based-core-attachment-method-to-detect-protein-complexes-in-dynamic-ppi-networks
#2
Xiujuan Lei, Jing Liang
Protein complexes play significant roles in cellular processes. Identifying protein complexes from protein-protein interaction (PPI) networks is an effective strategy to understand biological processes and cellular functions. A number of methods have recently been proposed to detect protein complexes. However, most of methods predict protein complexes from static PPI networks, and usually overlook the inherent dynamics and topological properties of protein complexes. In this paper, we proposed a novel method, called NABCAM (Neighbor Affinity-Based Core-Attachment Method), to identify protein complexes from dynamic PPI networks...
July 24, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28737444/evolving-patterns-in-a-collaboration-network-of-global-r-d-on-monoclonal-antibodies
#3
Xiangjun Kong, Jian-Bo Wan, Hao Hu, Shibing Su, Yuanjia Hu
We investigated the evolution process of collaborative inter-organizational network of the research and development (R&D) on monoclonal antibody (mAb) over the past 30 years. The annual detection of the collaboration network provides dynamics on network structures and relationship changes among different organizations. Our research showed continuous growth of the network's scale and complexity due to the constant entry of new organizations and the forging of new partnering relationships. The evolving topological features reveal a core-periphery structure that became clearer over time and an increasing heterogeneity within the collaborative mAb R&D network...
July 24, 2017: MAbs
https://www.readbyqxmd.com/read/28737373/construction-of-a-multi-cage-based-mof-with-a-unique-network-for-e%C3%AF-cient-co2-capture
#4
Mei-Hui Yu, Ping Zhang, Rui Feng, Zhao-Quan Yao, Yi-Chen Yu, Tong-Liang Hu, Xian-He Bu
As a kind of MOFs, cage-based MOFs usually carry large voids and small windows, which are advantageous to the storage of small molecules that remain kinetically trapped inside the cages (confinement effect). By adjusting the size of windows via reticular synthesis, the cage-based MOFs can selectively capture and separate the suitable size molecules. Here, considering angle-directed and face-directed strategies, a novel multi-cage-based MOF NUM-3 with a new (3,4,5)-connected topology was successfully constructed in the mixed-ligands assembly...
July 24, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28735641/risk-and-resilience-brain-networks-in-treatment-resistant-schizophrenia
#5
Eleni P Ganella, Caio Seguin, Cali F Bartholomeusz, Sarah Whittle, Chad Bousman, Cassandra M J Wannan, Maria A Di Biase, Christina Phassouliotis, Ian Everall, Christos Pantelis, Andrew Zalesky
BACKGROUND: Genes, molecules and neural circuits that are associated with, or confer risk to developing schizophrenia have been studied and mapped. It is hypothesized that certain neural systems may counterbalance familial risk of schizophrenia, and thus confer resilience to developing the disorder. This study sought to identify resting-state functional brain connectivity (rs-FC) representing putative risk or resilience endophenotypes in schizophrenia. METHODS: Resting-state functional magnetic resonance imaging (rs-fMRI) was performed in 42 individuals with treatment resistant schizophrenia (TRS), 16 unaffected first-degree family members (UFM) and 42 healthy controls...
July 20, 2017: Schizophrenia Research
https://www.readbyqxmd.com/read/28735343/exact-probabilities-for-the-indeterminacy-of-complex-networks-as-perceived-through-press-perturbations
#6
David Koslicki, Mark Novak
We consider the goal of predicting how complex networks respond to chronic (press) perturbations when characterizations of their network topology and interaction strengths are associated with uncertainty. Our primary result is the derivation of exact formulas for the expected number and probability of qualitatively incorrect predictions about a system's responses under uncertainties drawn form arbitrary distributions of error. Additional indices provide new tools for identifying which links in a network are most qualitatively and quantitatively sensitive to error, and for determining the volume of errors within which predictions will remain qualitatively determinate (i...
July 22, 2017: Journal of Mathematical Biology
https://www.readbyqxmd.com/read/28733673/emergence-of-hysteresis-loop-in-social-contagions-on-complex-networks
#7
Zhen Su, Wei Wang, Lixiang Li, Jinghua Xiao, H Eugene Stanley
Understanding the spreading mechanisms of social contagions in complex network systems has attracted much attention in the physics community. Here we propose a generalized threshold model to describe social contagions. Using extensive numerical simulations and theoretical analyses, we find that a hysteresis loop emerges in the system. Specifically, the steady state of the system is sensitive to the initial conditions of the dynamics of the system. In the steady state, the adoption size increases discontinuously with the transmission probability of information about social contagions, and trial size exhibits a non-monotonic pattern, i...
July 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28732056/inferring-microbial-interactions-in-thermophilic-and-mesophilic-anaerobic-digestion-of-hog-waste
#8
Grace Tzun-Wen Shaw, An-Chi Liu, Chieh-Yin Weng, Chu-Yang Chou, Daryi Wang
Anaerobic digestion (AnD) is a microbiological process that converts organic waste materials into biogas. Because of its high methane content, biogas is a combustible energy source and serves as an important environmental technology commonly used in the management of animal waste generated on large animal farms. Much work has been done on hardware design and process engineering for the generation of biogas. However, little is known about the complexity of the microbiology in this process. In particular, how microbes interact in the digester and eventually breakdown and convert organic matter into biogas is still regarded as a "black box...
2017: PloS One
https://www.readbyqxmd.com/read/28731857/cytomcs-a-multiple-maximum-common-subgraph-detection-tool-for-cytoscape
#9
Simon J Larsen, Jan Baumbach
Comparative analysis of biological networks is a major problem in computational integrative systems biology. By computing the maximum common edge subgraph between a set of networks, one is able to detect conserved substructures between them and quantify their topological similarity. To aid such analyses we have developed CytoMCS, a Cytoscape app for computing inexact solutions to the maximum common edge subgraph problem for two or more graphs. Our algorithm uses an iterative local search heuristic for computing conserved subgraphs, optimizing a squared edge conservation score that is able to detect not only fully conserved edges but also partially conserved edges...
July 21, 2017: Journal of Integrative Bioinformatics
https://www.readbyqxmd.com/read/28731567/integration-of-white-matter-network-is-associated-with-interindividual-differences-in-psychologically-mediated-placebo-response-in-migraine-patients
#10
Jixin Liu, Shaohui Ma, Junya Mu, Tao Chen, Qing Xu, Wanghuan Dun, Jie Tian, Ming Zhang
Individual differences of brain changes of neural communication and integration in the modular architecture of the human brain network exist for the repeated migraine attack and physical or psychological stressors. However, whether the interindividual variability in the migraine brain connectome predicts placebo response to placebo treatment is still unclear. Using DTI and graph theory approaches, we systematically investigated the topological organization of white matter networks in 71 patients with migraine without aura (MO) and 50 matched healthy controls at three levels: global network measure, nodal efficiency, and nodal intramodule/intermodule efficiency...
July 21, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28731515/analysis-of-structure-function-network-decoupling-in-the-brain-systems-of-spastic-diplegic-cerebral-palsy
#11
Dongha Lee, Chongwon Pae, Jong Doo Lee, Eun Sook Park, Sung-Rae Cho, Min-Hee Um, Seung-Koo Lee, Maeng-Keun Oh, Hae-Jeong Park
Manifestation of the functionalities from the structural brain network is becoming increasingly important to understand a brain disease. With the aim of investigating the differential structure-function couplings according to network systems, we investigated the structural and functional brain networks of patients with spastic diplegic cerebral palsy with periventricular leukomalacia compared to healthy controls. The structural and functional networks of the whole brain and motor system, constructed using deterministic and probabilistic tractography of diffusion tensor magnetic resonance images and Pearson and partial correlation analyses of resting-state functional magnetic resonance images, showed differential embedding of functional networks in the structural networks in patients...
July 21, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28731453/topological-alterations-and-symptom-relevant-modules-in-the-whole-brain-structural-network-in-semantic-dementia
#12
Junhua Ding, Keliang Chen, Weibin Zhang, Ming Li, Yan Chen, Qing Yang, Yingru Lv, Qihao Guo, Zaizhu Han
BACKGROUND: Semantic dementia (SD) is characterized by a selective decline in semantic processing. Although the neuropsychological pattern of this disease has been identified, its topological global alterations and symptom-relevant modules in the whole-brain anatomical network have not been fully elucidated. OBJECTIVE: This study aims to explore the topological alteration of anatomical network in SD and reveal the modules associated with semantic deficits in this disease...
July 19, 2017: Journal of Alzheimer's Disease: JAD
https://www.readbyqxmd.com/read/28731341/a-2d-coordination-network-that-detects-nitro-explosives-in-water-catalyzes-baylis-hillman-reactions-and-undergoes-unusual-2d%C3%A2-3d-single-crystal-to-single-crystal-transformation
#13
Vivekanand Sharma, Dinesh De, Sanchari Pal, Prithwidip Saha, Parimal K Bharadwaj
The solvothermal reaction of Zn(NO3)2·6H2O and a linear dicarboxylate ligand H2L, in the presence of urotropine in N,N'-dimethylformamide (DMF), gives rise to a new porous two-dimensional (2D) coordination network, {[Zn3(L)3(urotropine)2]·2DMF·3H2O}n (1), with hxl topology. Interestingly, framework 1 exhibits excellent emission properties owing to the presence of naphthalene moiety in the linker H2L, that can be efficiently suppressed by subtle quantity of nitro explosives in aqueous medium. Furthermore, presence of urotropine molecules bound to the metal centers, 1 is found to be an excellent heterogeneous catalyst meant for atom-economical C-C bond-forming Baylis-Hillman reactions...
July 21, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28729607/effective-methods-of-restraining-diffusion-in-terms-of-epidemic-dynamics
#14
Fei Xiong, Zhao-Yi Li
Removing influential nodes or shortcuts in a network restrains epidemic or information diffusion, but this method destroys the connectivity of the network and changes the topological structure. As an alternative, an additional field can be imposed in the network to affect node behaviors and slow down diffusion dynamics. However, little research has been performed systematically to analyze and compare these methods. This paper investigates epidemic dynamics and proposes the following four methods to restrain the diffusion process: blocking nodes, blocking edges, distracting node attention, and propagating opposite information...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28727558/understanding-robust-adaptation-dynamics-of-gene-regulatory-network
#15
Xiao-Na Huang, Hai-Peng Ren
Robust adaptation is a critical attribute for gene regulatory network (GRN), understanding the relationship between adaptation and the GRN topology, and corresponding parameters is a challenging issue. The work in this paper includes: first, seven constraint multiobjective optimization algorithms are used to find sufficient solutions to get more reliable statistic rules. Meanwhile, the algorithms are compared to facilitate the future algorithm selection; second, a fuzzy c-mean algorithm is used to analyze solutions and to classify the solutions into different groups; third, the histogram analysis for all satisfactory solutions shows the preferred parameter range, i...
July 18, 2017: IEEE Transactions on Biomedical Circuits and Systems
https://www.readbyqxmd.com/read/28723654/disrupted-small-world-brain-network-topology-in-pure-conduct-disorder
#16
Feng-Mei Lu, Jian-Song Zhou, Jiang Zhang, Xiao-Ping Wang, Zhen Yuan
OBJECTIVES: Conduct disorder (CD) is characterized by the violation of the rights of others or basic social rules and a repetitive, persistent pattern of antisocial and aggressive behaviors. A large number of functional and structural neuroimaging studies have identified widely abnormalities in specific brain regions in CD, but the alterations in the topological organization of functional networks among them remain largely unknown. METHODS: Resting-state functional magnetic resonance imaging was applied to investigate the intrinsic functional connectivity in 18 pure CD patients and eighteen typically developing healthy controls...
July 8, 2017: Oncotarget
https://www.readbyqxmd.com/read/28722475/ann-qsar-workflow-for-predicting-the-inhibition-of-hiv-1-reverse-transcriptase-by-pyridinone-non-nucleoside-derivatives
#17
Abolfazl Barzegar, Elham Zamani-Gharehchamani, Ali Kadkhodaie-Ilkhchi
AIM: Pyridinone derivatives have high potency against non-nucleoside reverse transcriptase inhibitor (NNRTI)-resistant human immunodeficiency virus type-1 strains. Quantitative structure-activity relationship (QSAR) studies on a series of pyridinone derivatives acting as NNRTIs are very important in designing the next generation of NNRTIs. Methodology & results: The QSAR models were developed using linear (single and forward stepwise) and combined nonlinear artificial neural network (ANN) approaches...
July 19, 2017: Future Medicinal Chemistry
https://www.readbyqxmd.com/read/28719616/analytical-network-process-based-optimum-cluster-head-selection-in-wireless-sensor-network
#18
Haleem Farman, Huma Javed, Bilal Jan, Jamil Ahmad, Shaukat Ali, Falak Naz Khalil, Murad Khan
Wireless Sensor Networks (WSNs) are becoming ubiquitous in everyday life due to their applications in weather forecasting, surveillance, implantable sensors for health monitoring and other plethora of applications. WSN is equipped with hundreds and thousands of small sensor nodes. As the size of a sensor node decreases, critical issues such as limited energy, computation time and limited memory become even more highlighted. In such a case, network lifetime mainly depends on efficient use of available resources...
2017: PloS One
https://www.readbyqxmd.com/read/28718634/porous-uranyl-borophosphates-with-unique-three-dimensional-open-framework-structures
#19
Yucheng Hao, Gabriel L Murphy, Dirk Bosbach, Giuseppe Modolo, Thomas E Albrecht-Schmitt, Evgeny V Alekseev
Two novel alkali-metal uranyl borophosphates have been prepared and characterized for the first time, namely, K5(UO2)2[B2P3O12(OH)]2(OH)(H2O)2 and K2(UO2)12[B(H2PO4)4](PO4)8(OH)(H2O)6 denoted as KUPB1 and KUPB2, respectively. KUPB1 was obtained hydrothermally at 220 °C and crystallizes in a monoclinic structure in the chiral space group P21. The unit cell parameters of KUPB1 are a = 6.7623(2) Å, b = 19.5584(7) Å, c = 11.0110(4) Å, α = γ = 90°, β = 95.579(3)°, and V = 1449.42(8) Å(3). It features a unique three-dimensional (3D) open-framework structure, composed of two corner-sharing linked one-dimensional (1D) anionic borophosphates (BP), [B2P3O13](5-), along the a axis and uranyl phosphate (UP), [(UO2)(PO4)3](7-), chains along the c axis, further bridged by PO4 tetrahedra...
July 18, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28717235/protein-protein-binding-selectivity-and-network-topology-constrain-global-and-local-properties-of-interface-binding-networks
#20
David O Holland, Benjamin H Shapiro, Pei Xue, Margaret E Johnson
Protein-protein interactions networks (PPINs) are known to share a highly conserved structure across all organisms. What is poorly understood, however, is the structure of the child interface interaction networks (IINs), which map the binding sites proteins use for each interaction. In this study we analyze four independently constructed IINs from yeast and humans and find a conserved structure of these networks with a unique topology distinct from the parent PPIN. Using an IIN sampling algorithm and a fitness function trained on the manually curated PPINs, we show that IIN topology can be mostly explained as a balance between limits on interface diversity and a need for physico-chemical binding complementarity...
July 17, 2017: Scientific Reports
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