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https://www.readbyqxmd.com/read/28641006/dft-simulation-of-structural-and-optical-properties-of-9-aminoacridine-half-sandwich-ru-ii-rh-iii-and-ir-iii-antitumoural-complexes-and-their-interaction-with-dna
#1
José Pedro Cerón-Carrasco, José Ruiz, Consuelo Vicente, Concepcion de Haro, Delia Bautista, Jose Zuniga, Alberto Requena
In this work, we use DFT-based methods to simulate the chemical structures, optical properties and interaction with DNA of a recently synthesized chelated CˆN 9-aminoacridine arene Ru (II) anticancer agent and two new closely related Rh(III) and Ir(III) complexes using DFT-based methods. Four chemical models and a number of theoretical approaches, which representatively include the PBE0, B97D, ωB97X, ωB97X-D, M06, and M06-L density functionals and the LANL2DZ, def2-SVP, def2- TZVP basis sets, are tested...
June 22, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28637212/survival-and-feeding-rates-of-four-aphid-species-hemiptera-aphididae-on-various-sucrose-concentrations-in-diets
#2
Gary J Puterka, Scott J Nicholson, W R Cooper
Different concentrations of sucrose were used to investigate how survival and feeding was affected in four species of aphids (Hemiptera: Aphididae). Seven sucrose concentrations were evaluated in feeding chambers fitted with parafilm membranes and infested with nymphs of Aphis glycines Matsumura, Diuraphis noxia Kurdjumov, Myzus persicae Sulzer, or Schizaphis graminum Rondani at 25 °C and a photoperiod of 14:10 (L:D) h. Survival on each diet was recorded 1, 3, 5, 7, 9, and 11 d. Diet volumes (μl) consumed and amounts of honeydew produced were then determined...
June 20, 2017: Journal of Economic Entomology
https://www.readbyqxmd.com/read/28636893/controlled-release-from-aspirin-based-linear-biodegradable-poly-anhydride-esters-for-anti-inflammatory-activity
#3
Queeny Dasgupta, Sahitya Movva, Kaushik Chatterjee, Giridhar Madras
This work reports the synthesis of a novel, aspirin-loaded, linear poly (anhydride ester) and provides mechanistic insights into the release of aspirin from this polymer for anti-inflammatory activity. As compared to conventional drug delivery systems that rely on diffusion based release, incorporation of bioactives in the polymer backbone is challenging and high loading is difficult to achieve. In the present study, we exploit the pentafunctional sugar alcohol (xylitol) to provide sites for drug (aspirin) attachment at its non-terminal OH groups...
June 18, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28636366/oxygenation-via-c-h-c-c-bond-activation-with-molecular-oxygen
#4
Yu-Feng Liang, Ning Jiao
The selective oxidation of organic molecules is a fundamentally important component of modern synthetic chemistry. In the past decades, direct oxidative C-H and C-C bond functionalization has proved to be one of the most efficient and straightforward methods to synthesize complex products from simple and readily available starting materials. Among these oxidative processes, the use of molecular oxygen as a green and sustainable oxidant has attracted considerable attention because of its highly atom-economical, abundant, and environmentally friendly characteristics...
June 21, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28636048/supramolecular-surface-functionalization-via-catechols-for-the-improvement-of-cell-material-interactions
#5
S Spaans, P P K H Fransen, B D Ippel, D F A de Bont, H M Keizer, N A M Bax, C V C Bouten, P Y W Dankers
Optimization of cell-material interactions is crucial for the success of synthetic biomaterials in guiding tissue regeneration. To do so, catechol chemistry is often used to introduce adhesiveness into biomaterials. Here, a supramolecular approach based on ureido-pyrimidinone (UPy) modified polymers is combined with catechol chemistry in order to achieve improved cellular adhesion onto supramolecular biomaterials. UPy-modified hydrophobic polymers with non-cell adhesive properties are developed that can be bioactivated via a modular approach using UPy-modified catechols...
June 21, 2017: Biomaterials Science
https://www.readbyqxmd.com/read/28635661/hypoxic-preconditioning-promotes-the-bioactivities-of-mesenchymal-stem-cells-via-the-hif-1%C3%AE-grp78-akt-axis
#6
Jun Hee Lee, Yeo Min Yoon, Sang Hun Lee
Mesenchymal stem cells (MSC) are ideal materials for stem cell-based therapy. As MSCs reside in hypoxic microenvironments (low oxygen tension of 1% to 7%), several studies have focused on the beneficial effects of hypoxic preconditioning on MSC survival; however, the mechanisms underlying such effects remain unclear. This study aimed to uncover the potential mechanism involving 78-kDa glucose-regulated protein (GRP78) to explain the enhanced MSC bioactivity and survival in hindlimb ischemia. Under hypoxia (2% O₂), the expression of GRP78 was significantly increased via hypoxia-inducible factor (HIF)-1α...
June 21, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28633566/microsphere-based-scaffolds-in-regenerative-engineering
#7
Vineet Gupta, Yusuf Khan, Cory J Berkland, Cato T Laurencin, Michael S Detamore
Microspheres have long been used in drug delivery applications because of their controlled release capabilities. They have increasingly served as the fundamental building block for fabricating scaffolds for regenerative engineering because of their ability to provide a porous network, offer high-resolution control over spatial organization, and deliver growth factors/drugs and/or nanophase materials. Because they provide physicochemical gradients via spatiotemporal release of bioactive factors and nanophase ceramics, microspheres are a desirable tool for engineering complex tissues and biological interfaces...
June 21, 2017: Annual Review of Biomedical Engineering
https://www.readbyqxmd.com/read/28632140/thermal-stability-and-rheological-properties-of-the-non-stick-caf1-biomaterial
#8
Yakup Ulusu, Gema Dura, Helen Waller, Matthew Benning, David Fulton, Jeremy Lakey, Daniel Thomas Peters
The ability to culture cells in three dimensions has many applications, from drug discovery to wound healing. 3D cell culture methods often require appropriate scaffolds that mimic the cellular environments of different tissue types. The choice of material from which these scaffolds are made is of paramount importance, as its properties will define the manner in which cells interact with the scaffold. Caf1 is a protein polymer that is secreted from its host organism, Yersinia pestis, to enable escape from phagocytosis...
June 20, 2017: Biomedical Materials
https://www.readbyqxmd.com/read/28629185/leptadenia-reticulata-retz-wight-arn-jivanti-botanical-agronomical-phytochemical-pharmacological-and-biotechnological-aspects
#9
REVIEW
Sudipta Kumar Mohanty, Mallappa Kumara Swamy, Uma Rani Sinniah, Maniyam Anuradha
Leptadenia reticulata (Retz.) Wight & Arn. (Apocynaceae), is a traditional medicinal plant species widely used to treat various ailments such as tuberculosis, hematopoiesis, emaciation, cough, dyspnea, fever, burning sensation, night blindness, cancer, and dysentery. In Ayurveda, it is known for its revitalizing, rejuvenating, and lactogenic properties. This plant is one of the major ingredients in many commercial herbal formulations, including Speman, Envirocare, Calshakti, Antisept, and Chyawanprash. The therapeutic potential of this herb is because of the presence of diverse bioactive compounds such as α-amyrin, β-amyrin, ferulic acid, luteolin, diosmetin, rutin, β-sitosterol, stigmasterol, hentricontanol, a triterpene alcohol simiarenol, apigenin, reticulin, deniculatin, and leptaculatin...
June 19, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28629091/polyurethane-silica-hybrid-foams-from-a-one-step-foaming-reaction-coupled-with-a-sol-gel-process-for-enhanced-wound-healing
#10
Eun-Ho Song, Seol-Ha Jeong, Ji-Ung Park, Sukwha Kim, Hyoun-Ee Kim, Juha Song
Polyurethane (PU)-based dressing foams have been widely used due to their excellent water absorption capability, optimal mechanical properties, and unequaled economic advantage. However, the low bioactivity and poor healing capability of PU limit the applications of PU dressings in complex wound healing cases. To resolve this problem, this study was carried out the hybridization of bioactive silica nanoparticles with PU through a one-step foaming reaction that is coupled with the sol-gel process. The hybridization with silica did not affect the intrinsically porous microstructure of PU foams with silica contents of up to 10wt% and where 5-60nm silica nanoparticles were well dispersed in the PU matrix, despite slight agglomerations...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28629037/regenerated-egg-white-silk-fibroin-composite-films-for-biomedical-applications
#11
Renchuan You, Jie Zhang, Shaojin Gu, Yingshan Zhou, Xiufang Li, Dezhan Ye, Weilin Xu
Protein-based composites have always been desirable biomaterials as they can be fabricated into a wide range of biomaterials with tunable properties, including modulation of mechanical properties and control of cell responses. Both egg white protein (EW) and silk fibroin (SF) are biocompatible, biodegradable, non-toxic and naturally abundant biopolymers. In order to obtain biocompatible composite films with tunable performance, EW and SF were blended at various ratios. Raising the SF ratio in the composite films significantly increased breaking strength, but impaired flexibility...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28629027/electrophoretic-deposition-of-hydroxyapatite-hexagonal-boron-nitride-composite-coatings-on-ti-substrate
#12
Yapıncak Göncü, Merve Geçgin, Feray Bakan, Nuran Ay
In this study, commercial pure titanium samples were coated with nano hydroxyapatite-nano hexagonal boron nitride (nano HA-nano hBN) composite by electrophoretic deposition (EPD). The effect of process parameters (applied voltage, deposition time and solid concentration) on the coating morphology, thickness and the adhesion behavior were studied systematically and crack free nano hBN-nano HA composite coating production was achieved for developing bioactive coatings on titanium substrates for orthopedic applications...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28629020/a-comparative-in-vivo-evaluation-of-bioactive-glasses-and-bioactive-glass-based-composites-for-bone-tissue-repair
#13
Devis Bellucci, Alexandre Anesi, Roberta Salvatori, Luigi Chiarini, Valeria Cannillo
In this work a set of novel materials for bone tissue regeneration have been tested in vivo in an animal model. In fact, despite many studies have been devoted to amorphous 45S5 Bioglass®, there is lack in the literature of works aimed to study the in vivo performance of heat-treated - and thus partially crystallized - 45S5. As widely reported, crystallization limits the bioactivity of 45S5 and is the main reason that prevents a broader use of this material. Thus, in the present work, a recently developed bioactive glass (BG_Ca/Mix) is tested, since previous investigations demonstrated that BG_Ca/Mix is particularly promising by virtue of both its high bioactivity and lower tendency to crystallize with respect to 45S5...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28627673/release-characteristics-of-bone%C3%A2-like-hydroxyapatite-poly-amino-acid-loaded-with-rifapentine-microspheres-in%C3%A2-vivo
#14
Yuwu Liu, Jiming Zhu, Dianming Jiang
Bone-like hydroxyapatite/poly amino acid (BHA/PAA) is a potential bone repair material. Rifapentine-loaded poly(lactic‑co‑glycolic acid) microspheres (RPMs) are bioactive and efficient controlled‑release delivery systems used in vitro. The aim of the present study was to investigate the in vivo drug release characteristics of RPM‑loaded BHA/PAA on a rabbit model of bone defect. RPM was combined with BHA/PAA to obtain the drug‑loaded, slow‑releasing bioactive material. Bone defects were generated in New Zealand white rabbits and the rabbits were then implanted with RPM‑loaded BHA/PAA...
June 9, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28626996/vortex-ultrasound-assisted-dispersive-liquid-liquid-microextraction-coupled-with-gc-ms-for-the-analysis-of-volatile-bioactive-components-and-comparative-pharmacokinetic-study-of-the-herb-herb-interactions-in-guanxin-shutong-capsule
#15
Jingqing Mu, Xun Gao, Qing Li, Xiaomei Yang, Wenling Yang, Xu Sun, Kaishun Bi, Huifen Zhang
Guanxin Shutong Capsule, an effective traditional Chinese medicine, is widely used for coronary heart disease clinically. Volatile components are one of its important bioactive constituents. To better understand the material basis for the therapeutic effects, the components of Guanxin Shutong Capsule absorbed into the blood and their metabolites were identified based on gas chromatography with mass spectrometry coupled with vortex-ultrasound-assisted dispersive liquid-liquid microextraction. As a result, three prototypes and 15 metabolites were identified or tentatively characterized in rat plasma...
June 19, 2017: Journal of Separation Science
https://www.readbyqxmd.com/read/28626487/identification-of-the-chemical-constituents-in-simiao-wan-and-rat-plasma-after-oral-administration-by-gc-ms-and-lc-ms
#16
Yunshuang Fan, Yamei Li, Yuanyuan Wu, Lixin Li, Yuming Wang, Yubo Li
Simiao Wan (SMW), an important multiherbal formula used in traditional Chinese medicine, is extensively used to treat rheumatoid arthritis. However, the knowledge of the bioactive components of SMW remains unclear. Thus, gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) were used to analyze the chemical constituents of volatile and nonvolatile extracts of SMW, as well as its absorbed components in rat plasma after oral SMW administration. Identification of several compounds was enabled by comparison of retention times, MS spectra, and MS/MS spectral data with the standard substance and reference materials reported in the literature...
2017: Evidence-based Complementary and Alternative Medicine: ECAM
https://www.readbyqxmd.com/read/28625677/profiling-of-vitis-vinifera-l-canes-poly-phenolic-compounds-using-comprehensive-two-dimensional-liquid-chromatography
#17
Lidia Montero, Vania Sáez, Dietrich von Baer, Alejandro Cifuentes, Miguel Herrero
Grapevine canes, a pruning-derived by-product, possess a great amount of bioactive (poly)phenolic compounds belonging to different chemical classes, thus, having a good potential for further valorization. However, in order to properly design valorization strategies, the precise chemical composition of this material has to be known. Up to now, this chemical characterization has been based on analysis of different groups of components individually, due to difficulties related to their huge chemical variability...
June 8, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28624657/adiponectin-improves-the-osteointegration-of-titanium-implant-under-diabetic-conditions-by-reversing-mitochondrial-dysfunction-via-the-ampk-pathway-in-vivo-and-in-vitro
#18
Xiao-Fan Hu, Lin Wang, Yi-Zhao Lu, Geng Xiang, Zi-Xiang Wu, Ya-Bo Yan, Yang Zhang, Xiong Zhao, Yuan Zang, Lei Shi, Wei Lei, Ya-Fei Feng
Diabetes-induced reactive oxygen species (ROS) overproduction would result in compromised osteointegration of titanium implant (TI) and high rate of implant failure, yet the underlying mechanisms remain elusive. Adiponectin (APN) is a fat-derived adipocytokine with strong antioxidant, mitochondrial-protective and anti-diabetic efficacies. We hypothesized that mitochondrial dysfunction under diabetes may account for the oxidative stress in osteoblasts and titanium-bone interface (TBI) instability, which could be ameliorated by APN...
June 14, 2017: Acta Biomaterialia
https://www.readbyqxmd.com/read/28624242/facile-access-to-modified-and-functionalized-pnas-through-ugi-based-solid-phase-oligomerization
#19
Jacques Saarbach, Daniela Masi, Claudio Zambaldo, Nicolas Winssinger
Peptide nucleic acids (PNAs) derivatized with functional molecules are increasingly used in diverse biosupramolecular applications. PNAs have proven to be highly tolerant to modifications and different applications benefit from the use of modified PNAs, in particular modifications at the γ position. Herein we report simple protocols to access modified PNAs from iterative Ugi couplings which allow modular modifications at the α, β or γ position of the PNA backbone from simple starting materials. We demonstrate the utility of the method with the synthesis of several bioactive small molecules (a peptide ligand, a kinase inhibitor and a glycan)-PNA conjugates...
June 14, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28622750/preparation-and-in%C3%A2-vivo-evaluation-of-a-silicate-based-composite-bone-cement
#20
Bing Ma, Zhiguang Huan, Chen Xu, Nan Ma, Haibo Zhu, Jipin Zhong, Jiang Chang
Silicate-based cements have been developed as a class of bioactive and biodegradable bone cements owing to their good in vitro bioactivity and ability to dissolve in a simulated body fluid. Until recently, however, the in vivo evidence of their ability to support bone regeneration is still scarce. In the present study, a pilot in vivo evaluation of a silicate-based composite bone cement (CSC) was carried out in a rabbit femur defect model. The cement was composed of tricalcium silicate, 45S5 bioglass and calcium sulfate, and the self-setting properties of the material were established...
January 1, 2017: Journal of Biomaterials Applications
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