bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, characterization, and biocompatibility of a novel biomimetic material based on MGF‐Ct24E modified poly(D, L‐lactic acid)
Authors: Li Yuxiao , Zhang Bingbing , Ruan Changshun , Wang Pinpin , Sun Jiaoxia , Pan Jun , Wang Yuanliang 
Published: September 2012

AbstractMechano‐growth factor (MGF) is an alternative splicing variant of Insulin‐like growth factor I. MGF and its 24 amino acid peptide analog corresponding to the unique C‐terminal E‐domain (MGF‐Ct24E) are the positive regulator for tissue regenesis in bone. A novel biomimetic poly(D, L‐lactic acid) (PDLLA) modification was designed and synthesized based on MGF‐Ct24E grafted maleic anhydride modified PDLLA (MPLA). MGF‐Ct24Es were grafted into the side chain of MPLA via a stable covalent amide bond using 1‐ethyl‐3‐(3‐dimethyllaminopropyl) carbodiimide hydrochloride and N‐hydroxysuccinimide as the condensing agent to produce biomimetic MPLA materials (MGF‐Ct24E‐MPLA). Fourier transform infrared spectrometry, amino acid analyzer, and elementary analysis were used to characterize the MGF‐Ct24E‐MPLA. The hydrophilicity of MGF‐Ct24E‐MPLA was evaluated by means of the water‐uptake ratios and static water contact angle. Data revealed that the grafting efficiency of MGF‐Ct24E was about 29.9%. MGF‐Ct24E‐MPLA had better hydrophilicity than PDLLA and MPLA. The osteoblasts behavior of proliferation, differentiation, and mineralization on PDLLA, MPLA, and MGF‐Ct24E‐MPLA films was investigated and the results indicated that the introduction of MGF‐Ct24E could improve osteoblasts proliferation, mineralization, and delay differentiation. The MGF‐Ct24E modified MPLA with higher bioactivity may have potential application for bone tissue engineering. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 100A:3496–3502, 2012.
Histopathological, cytotoxicity and genotoxicity evaluation of Biosilicate® glass–ceramic scaffolds
Authors: Kido Hueliton W. , Oliveira Poliani , Parizotto Nivaldo A. , Crovace Murilo C. , Zanotto Edgar D. , Peitl‐Filho Oscar , Fernandes Kristianne P. S. , Mesquita‐Ferrari Raquel A. , Ribeiro Daniel A. , M. Renno Ana Claudia 
Published: September 2012

AbstractThis study evaluated the biocompatibility of Biosilicate® scaffolds by means of histopathological, cytotoxicity, and genotoxicity analysis. The histopathologic analysis of the biomaterial was performed using 65 male rats, distributed into the groups: control and Biosilicate®, evaluated at 7, 15, 30, 45, and 60 days after implantation. The cytotoxicity analysis was performed by the methyl thiazolyl tetrazolium (MTT) assay, with various concentrations of extracts from the biomaterial in culture of osteoblasts and fibroblasts after 24, 72, and 120 h. The genotoxicity analysis (comet assay) was performed in osteoblasts and fibroblasts after contact with the biomaterial during 24, 72, and 96 h. In the histopathology analysis, we observed a foreign body reaction, characterized by the presence of granulation tissue after 7 days of implantation of the biomaterial, and fibrosis connective tissue and multinucleated giant cells for longer periods. In the cytotoxicity analysis, extracts from the biomaterial did not inhibit the proliferation of osteoblasts and fibroblasts, and relatively low concentrations (12.5% and 25%) stimulated the proliferation of both cell types after 72 and 120 h. The analysis of genotoxicity showed that Biosilicate® did not induce DNA damage in both lineages tested in all periods. The results showed that the Biosilicate® scaffolds present in vivo and in vitro biocompatibility. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 667–673, 2013.
Apatite‐coated three‐dimensional fibrous scaffolds and their osteoblast response
Authors: Tang Yanwei , Zhao Yan , Wong Cynthia S. , Wang Xungai , Lin Tong 
Published: September 2012

AbstractApatite was applied onto the fiber surface of an interbonded three‐dimensional polycaprolactone fibrous scaffold through a vacuum nitrogen plasma pretreatment followed by immersion in a simulated body fluid. The plasma pretreatment improved the wettability and accelerated apatite deposition on the fiber surface. The apatite coating was proven to be biocompatible to fibroblast cells without any cytotoxicity. Two osteoblast cell lines, human fetal osteoblast cells (hFOB1.19) and human osteosarcoma cells (Saos‐2), were used for evaluating the cell response of the fibrous matrices. The apatite coating showed enhanced cell attachment for both hFOB1.19 and Saos‐2 cells. In comparison to the uncoated fibrous scaffolds, the apatite‐coated fibrous matrix had an improved hFOB1.19 cell proliferation for at least 2 weeks. Enhanced cell differentiation was also observed on the apatite‐coated fibrous matrix primarily on the third, 10th, and 14th days of culture. Saos‐2 cells showed improved proliferation in the apatite‐coated matrix mainly on days 3 and 14, but the differentiation was increased only on the third day of culture. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 674–683, 2013.
Performance optimization of injectable chitosan hydrogel by combining physical and chemical triple crosslinking structure
Authors: Chen Chen , Wang Lei , Deng Liandong , Hu Renjie , Dong Anjie 
Published: September 2012

AbstractTo improve the biocompatibility and application properties of injectable chitosan hydrogel, an injectable triple crosslinking network hydrogel (CTGP) is prepared by physical interaction, Michael addition and disulfide bond formation based on thiolated chitosan (CS‐TGA), β‐glycerophosphate (β‐GP) and poly(ethylene glycol) diacrylate (PEGDA) without the addition of cytotoxic crosslinkers and catalysts. Compared with the short gelation time of 2 min of CTG hydrogel (without PEGDA) at 37°C, CTGP hydrogel containing different molecular weight of PEGDA exhibits controllable gelation times from 1 to 22 min, which could meet the different demands in clinical application. Further, the compressive modulus is improved differently by introducing PEGDA into the system. The presence of PEGDA in CTGP hydrogel imparts better swelling property, and there is a sustained protein release from the hydrogel without any initial burst. In vitro cytotoxicity and hemolysis reveal that the gel is biocompatible. In vivo subdermal injection into mice models further confirms the non‐cytotoxicity of the hydrogel and the hydrogel is highly resistant to degradation. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 684–693, 2013.
Modular polylactic acid microparticle‐based scaffolds prepared via microfluidic emulsion/solvent displacement process: Fabrication, characterization, andin vitromesenchymal stem cells interaction study
Authors: Salerno A. , Levato R. , Mateos‐Timoneda M. A. , Engel E. , Netti P. A. , Planell J. A. 
Published: September 2012

AbstractThe present study reports a novel approach for the design and fabrication of polylactic acid (PLA) microparticle‐based scaffolds with microstructural properties suitable for bone and cartilage regeneration. Macroporous PLA scaffolds with controlled shape were fabricated by means of a semicontinuous process involving (1) microfluidic emulsification of a PLA/ethyl lactate solution (5% w/v) in a span 80/paraffin oil solution (3% v/v) followed by (2) particles coagulation/assembly in an acetone/water solution for the development of a continuous matrix. Porous scaffolds prepared from particles with monomodal or bimodal size distribution, overall porosity ranges from 93 to 96%, interparticles porosity from 41 to 54%, and static compression moduli from 0.3 to 1.4 MPa were manufactured by means of flow rate modulation of of the continuous phase during emulsion. The biological response of the scaffolds was assessedin vitroby using bone marrow‐derived rat mesenchymal stem cells (MSCs). The results demonstrated the ability of the scaffolds to support the extensive and uniform three‐dimensional adhesion, colonization, and proliferation of MSCs within the entire construct. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 720–732, 2013.
Distance dependency and minimum amino acid alphabets for decoy scoring potentials
Authors: Pape Susanne , Hoffgaard Franziska , Dür Mirjam , Hamacher Kay 
Published: September 2012

AbstractThe validity and accuracy of a proposed tertiary structure of a protein can be assessed in several ways. Scoring such a structure by a knowledge‐based potential is a well‐known approach in molecular biophysics, an important task in structure prediction and refinement, and a key step in several experiments on protein structures. Although several parameterizations for such models have been derived over the course of time, improvements in accuracy by explicitly using continuous distance information have not been suggested yet. We close this methodological gap by formulating the parameterization of a protein structure model as a linear program. Optimization of the parameters was performed using amino acid distances calculated for the residues in topology rich 2830 protein structures. We show the capability of our derived model to discriminate between native structures and decoys for a diverse set of proteins. In addition, we discuss the effect of reduced amino acid alphabets on the model. In contrast to studies focusing on binary contact schemes (without considering distance dependencies and proposing five symbols as optimal alphabet size), we find an accurate protein alphabet size to contain at least five symbols, preferably more, to assure a satisfactory fold recognition capability. © 2012 Wiley Periodicals, Inc.
Proton affinities of deoxyribonucleosides via the ONIOM‐ccCA methodology
Authors: Riojas Amanda G. , John Joshua R. , Williams T. Gavin , Wilson Angela K. 
Published: September 2012

AbstractUtilizing the recently developed ONIOM‐ccCA methodology, the proton affinities (PAs) of small biomolecules (∼15 nonhydrogen atoms) were determined. The ONIOM‐ccCA method was used to predict the PAs of eight amine‐containing molecules and these predictions were then compared with experiment. In these comparisons, a protocol for the determination of the model system size was established, and the low level method and basis set for the real system component of ONIOM‐ccCA were considered. Several possible density functionals were investigated for description of the real system (low layer), including B3LYP, B97‐1, B97‐2, B98, BMK, M06, and M06‐2X. The resulting proton affinities were compared both to experiment and to theoretical values that were calculated using the correlation consistent Composite Approach (ccCA). The impact of the choice of augmented correlation consistent basis sets in the ONIOM‐ccCA low level calculation was also examined, and PAs calculated with augmented and non‐augmented basis sets were compared to those extrapolated to the complete basis set (CBS) limit. ONIOM(ccCA:B3LYP/aug‐cc‐pVDZ) was then applied to deoxyribonucleosides to determine the PAs at possible sites of protonation. © 2012 Wiley Periodicals, Inc.
GPGPU for orbital function evaluation with a new updating scheme
Authors: Uejima Yutaka , Maezono Ryo 
Published: September 2012

AbstractWe have accelerated an ab initio quantum Monte Carlo electronic structure calculation using general purpose computing on graphical processing units (GPGPU). The part of the code causing the bottleneck for extended systems is replaced by Compute Unified Device Architecture‐GPGPU subroutine kernels which build up spline basis set expansions of electronic orbital functions at each Monte Carlo step. We have achieved a speedup of a factor of 30 for the bottleneck for a simulation of solid TiO2 with 1536 electrons. To improve the performance with GPGPU we propose a new updating scheme for Monte Carlo sampling, quasi‐simultaneous updating, which is intermediate between configuration‐by‐configuration updating and the widely used particle‐by‐particle updating. The error in the energy due to by the single precision treatment and the new updating scheme is found to be within the required accuracy of ∼10−3 hartree per primitive cell. © 2012 Wiley Periodicals, Inc.
The role of water in the adsorption of oxygenated aromatics on Pt and Pd
Authors: Yang Jin , Dauenhauer Paul J. , Ramasubramaniam Ashwin 
Published: September 2012

AbstractCatalytic processing of biomass‐derived oxygenates to valuable chemical products will contribute to a sustainable future. To provide insight into the conversion of processed sugars and lignin monomers, we present density functional theory studies of adsorption of phloroglucinol, a potentially valuable biomass derivative, on Pt(111) and Pd(111) surfaces. A comprehensive study of adsorption geometries and associated energies indicates that the bridge site is the most preferred adsorption site for phloroglucinol, with binding energies in the range of 2–3 eV in the vapor phase. Adsorption of phloroglucinol on these metal surfaces occurs via hybridization between the carbon pzorbitals and the metal dand dyzorbitals. With explicit solvent, hydrogen bonds are formed between phloroglucinol and water molecules thereby decreasing binding of phloroglucinol to the metal surfaces relative to the vapor phase by 20–25%. Based on these results, we conclude that solvent effects can significantly impact adsorption of oxygenated aromatic compounds derived from biomass and influence catalytic hydrogenation and hydrodeoxygenation reactions as well. © 2012 Wiley Periodicals, Inc.
Ion mobility spectrometry‐mass spectrometry (IMS‐MS) of small molecules: Separating and assigning structures to ions
Authors: Lapthorn Cris , Pullen Frank , Chowdhry Babur Z. 
Published: September 2012

AbstractThe phenomenon of ion mobility (IM), the movement/transport of charged particles under the influence of an electric field, was first observed in the early 20th Century and harnessed later in ion mobility spectrometry (IMS). There have been rapid advances in instrumental design, experimental methods, and theory together with contributions from computational chemistry and gas‐phase ion chemistry, which have diversified the range of potential applications of contemporary IMS techniques. Whilst IMS‐mass spectrometry (IMS‐MS) has recently been recognized for having significant research/applied industrial potential and encompasses multi‐/cross‐disciplinary areas of science, the applications and impact from decades of research are only now beginning to be utilized for “small molecule” species. This review focuses on the application of IMS‐MS to “small molecule” species typically used in drug discovery (100–500 Da) including an assessment of the limitations and possibilities of the technique. Potential future developments in instrumental design, experimental methods, and applications are addressed. The typical application of IMS‐MS in relation to small molecules has been to separate species in fairly uniform molecular classes such as mixture analysis, including metabolites. Separation of similar species has historically been challenging using IMS as the resolving power, R, has been low (3–100) and the differences in collision cross‐sections that could be measured have been relatively small, so instrument and method development has often focused on increasing resolving power. However, IMS‐MS has a range of other potential applications that are examined in this review where it displays unique advantages, including: determination of small molecule structure from drift time, “small molecule” separation in achiral and chiral mixtures, improvement in selectivity, identification of carbohydrate isomers, metabonomics, and for understanding the size and shape of small molecules. This review provides a broad but selective overview of current literature, concentrating on IMS‐MS, not solely IMS, and small molecule applications. © 2012 Wiley Periodicals, Inc., Mass Spec Rev 32:43–71, 2013
Coherent Dynamic Structure Factor of a Polymer Chain Confined Into a Harmonic Radial Potential
Authors: Dolgushev Maxim , Krutyeva Margarita 
Published: September 2012

AbstractThe coherent dynamic structure factor of a single polymer chain is calculated based on the model of a Rouse polymer chain constrained (confined) by a harmonic radial potential and its behavior in different limiting cases is analyzed. The strength of confinement is characterized using an effective diameter of the harmonic radial potential as a model parameter. The method provides a reliable model to study the crossover between unconstrained (Rouse) and constrained dynamics. magnified image
Electrospray ionization mass spectrometric investigations of the complexation behavior of macrocyclic thiacrown ethers with bivalent transitional metals (Cu, Co, Ni and Zn)
Authors: Tsybizova Alexandra , Tarábek Ján , Buchta Michal , Holý Petr , Schröder Detlef 
Published: September 2012

RATIONALEHeavy metals are both a problem for the environment and an important resource for industry. Their selective extraction by means of organic ligands therefore is an attractive topic. The coordination of three thiacrown ethers to late 3d‐metal ions was investigated by a combination of electrospray ionization mass spectrometry (ESI‐MS) and electron paramagnetic resonance (EPR).METHODSThe mass spectrometric experiments were carried out in an ion trap mass spectrometer with an ESI source. Absolute binding constants were estimated by comparison with data for 18‐crown‐6/Na+. EPR spectroscopy was used as a complementary method for investigating the CuI/CuII redox couple.RESULTSThe study found that thiacrown ethers preferentially bind traces of copper even at an excess of other metal ions (CoII, NiII, and ZnII). The absolute association constants of the CuI complexes were about 108 M–1, and about two orders of magnitude lower for the other 3d‐metal cations. The EPR spectra demonstrated that the reduction from CuII to CuI upon formation of the [(thiacrown)Cu]+ species takes place in solution.CONCLUSIONSESI‐MS demonstrated that the three thiacrown ligands examined had high binding constants as well as good selectivities for copper(I) at low concentrations, and in the presence of other metal ions. By a combination of ESI‐MS and EPR spectrometry it was shown that the reduction from CuII to CuI occurred in solution. Copyright © 2012 John Wiley & Sons, Ltd.
Safety and Efficacy of Fast‐track Surgery in Laparoscopic Distal Gastrectomy for Gastric Cancer: A Randomized Clinical Trial
Authors: Kim Jong Won , Kim Whan Sik , Cheong Jae‐Ho , Hyung Woo Jin , Choi Seung‐Ho , Noh Sung Hoon 
Published: September 2012

AbstractBackgroundFast‐track surgery has been shown to enhance postoperative recovery in several surgical fields. This study aimed to evaluate the safety and efficacy of fast‐track surgery in laparoscopic distal gastrectomy.MethodsThe present study was designed as a single‐center, randomized, unblinded, parallel‐group trial. Patients were eligible if they had gastric cancer for which laparoscopic distal gastrectomy was indicated. The fast‐track surgery protocol included intensive preoperative education, a short duration of fasting, a preoperative carbohydrate load, early postoperative ambulation, early feeding, and sufficient pain control using local anesthetics perfused via a local anesthesia pump device, with limited use of opioids. The primary endpoint was the duration of possible and actual postoperative hospital stay.ResultsWe randomized 47 patients into a fast‐track group (n = 22) and a conventional pathway group (n = 22), with three patients withdrawn. The possible and actual postoperative hospital stays were shorter in the fast‐track group than in the conventional group (4.68 ± 0.65 vs. 7.05 ± 0.65; P < 0.001 and 5.36 ± 1.46 vs. 7.95 ± 1.98; P < 0.001). The time to first flatus and pain intensity were not different between groups; however, a greater frequency of additional pain control was needed in the conventional group (3.64 ± 3.66 vs. 1.64 ± 1.33; P = 0.023). The fast‐track group was superior to the conventional group in several factors of the European Organization for Research and Treatment of Cancer Quality of Life Questionnaire, including: fatigue, appetite loss, financial problems, and anxiety. The complication and readmission rates were similar between groups.ConclusionsFast‐track surgery could enhance postoperative recovery, improve immediate postoperative quality of life, and be safely applied in laparoscopic distal gastrectomy.
Trauma during Pregnancy: A Population‐based Analysis of Maternal Outcome
Authors: Cheng Han‐Tsung , Wang Yu‐Chun , Lo Hung‐Chieh , Su Li‐Ting , Lin Chiu‐Hsiu , Sung Fung‐Chang , Hsieh Chi‐Hsun 
Published: September 2012

AbstractBackgroundSerious injury during pregnancy is known to cause adverse maternal outcomes. However, the significance of minor injuries in adverse maternal outcomes requires clarification because most injuries sustained during pregnancy are minor ones.MethodsTwo population‐based databases (inpatient and ambulatory care) were used to identify pregnant women who had severe (required hospitalization) or minor injuries (required ambulatory care only) prenatally. ICD‐9‐CM coding was used to categorize the types of prenatal injury and complications during delivery. The patient demographics, types and timing of the injuries, and their association with adverse maternal outcomes were compared among the uninjured, those with minor injury, and those with severe injury. Odds ratios were calculated to estimate the risks of having adverse outcomes in injured pregnant women compared with those who are uninjured.ResultsThe severely injured women tended to be younger (<20 years old), lived in less urbanized regions, and had lower income levels than those who were uninjured or had minor injury. Motor vehicle crash was the most common mechanism of injury. While minor injuries were associated with preterm labor [odds ratio (OR) = 1.25], a severe injury was strongly associated with increased risks of preterm labor, placental abruption, uterine rupture, and maternal death, especially during the third trimester (OR = 2.71, 6.12, 7.79, and 20.15, respectively). Injuries away from the trunk could also lead to adverse maternal outcomes.ConclusionsTrauma during pregnancy, whether minor or severe, is associated with unfavorable maternal outcomes. Injuries considered minor for the general population are not minor for pregnant women. Therefore, these patients should be monitored carefully.
Improving Surgical Care in Mongolia: A Model for Sustainable Development
Authors: Price Raymond , Sergelen Orgoi , Unursaikhan Chadraabal 
Published: September 2012

AbstractThe W. C. Swanson Family Foundation selected Mongolia to help improve access to affordable quality surgical and medical care in 2000. Over the last 12 years of partnering with the Health Sciences University of Mongolia, three major concepts have been identified that have promoted sustainable progress in expanding and improving surgical care throughout the healthcare system—including urban and rural areas. Understanding and targeting the needs identified by the Mongolian surgical community has cultivated a critical working environment that has had a profound effect on expanding surgical care in Mongolia. Integrating modern surgical care training with basic emergency and essential surgical and medical initiatives created a trusting foundation providing many unforeseen educational opportunities. Lastly, the educational model introduced, including long‐term capacity‐building programs, has helped enable the local Mongolian surgeons, nurses, biotechnicians, administrators, and educators to continue pioneering independent efforts to further expand modern surgical care in Mongolia.