bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cellular engineering for therapeutic protein production: product quality, host modification, and process improvement
Authors: Wells Evan , Robinson Anne Skaja 
Published: December 2016

AbstractRecombinant proteins offer many therapeutic advantages unavailable in traditional small molecule drugs, but the need for cellular versus chemical synthesis complicates production. Avenues for producing therapeutic biologics are continuously expanding, and developments in biochemistry, cell biology, and bioengineering fuel new discoveries that promise safer, more efficient, and cheaper drugs for consumers. Numerous approaches to express recombinant proteins exist, but Escherichia coli, Saccharomyces cerevisiae, and mammalian systems (e.g. Chinese hamster ovary cells, CHO) are the most widely utilized. Improvements to production in these hosts have focused on novel expression cassettes, cell line modifications, engineering secretion pathways, and media design. Here, we describe recent developments for improving protein production in E. coli, S. cerevisiae, and CHO systems and compare recent advancements to previous knowledge in the field. With the expanding importance and prevalence of protein therapeutics, these improvements will serve as the framework for future discoveries.
Quantitative determination and evaluation of Paris polyphylla var. yunnanensis with different harvesting times using UPLC‐UV‐MS and FT‐IR spectroscopy in combination with partial least squares discriminant analysis
Authors: Yang Yuan‐Gui , Zhang Ji , Zhao Yan‐Li , Zhang Jin‐Yu , Wang Yuan‐Zhong 
Published: December 2016

AbstractA rapid method was developed and validated by ultra‐performance liquid chromatography–triple quadrupole mass spectroscopy with ultraviolet detection (UPLC‐UV‐MS) for simultaneous determination of paris saponin I, paris saponin II, paris saponin VI and paris saponin VII. Partial least squares discriminant analysis (PLS‐DA) based on UPLC and Fourier transform infrared (FT‐IR) spectroscopy was employed to evaluate Paris polyphylla var. yunnanensis (PPY) at different harvesting times. Quantitative determination implied that the various contents of bioactive compounds with different harvesting times may lead to different pharmacological effects; the average content of total saponins for PPY harvested at 8 years was higher than that from other samples. The PLS‐DA of FT‐IR spectra had a better performance than that of UPLC for discrimination of PPY from different harvesting times.
Integrating Environmental, Social and Governance (ESG) Disclosure for a Sustainable Development: An Australian Study
Authors: Lokuwaduge Chitra Sriyani De Silva , Heenetigala Kumudini 
Published: December 2016

AbstractAddressing environmental, social and governance (ESG) issues has become a critical part of business strategy. This article explores the extent of ESG reporting of metal and mining sector companies listed in the Australian Securities Exchange to determine the nature of ESG indicators in use in the sector. The current study argues that stakeholder engagement is the key to enhance company environmental policy and sustainable development. According to the results of this study, ESG reporting motives are highly influenced by reporting regulations. Given the diversity in reporting of ESG, comparability of ESG strategic performance is problematic. This study contributes towards developing an ESG disclosure index, which companies could use as a legitimacy tool that external stakeholders could use to reliably measure and compare the ESG performance of companies. It also reveals there is an increased demand for more empirical research on integration of sustainability into strategic planning process. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
Exploring the Least Studied Australian Eucalypt Genera: Corymbia and Angophora for Phytochemicals with Anticancer Activity against Pancreatic Malignancies
Authors: Bhuyan Deep Jyoti , Vuong Quan V. , Bond Danielle R. , Chalmers Anita C. , van Altena Ian A. , Bowyer Michael C. , Scarlett Christopher J. 
Published: December 2016

While the pharmacological and toxicological properties of eucalypts are well known in indigenous Australian medicinal practice, investigations of the bioactivity of eucalypt extracts against high mortality diseases such as pancreatic cancer in Western medicine have to date been limited, particularly amongst the genera Corymbia and Angophora. Four Angophora and Corymbia species were evaluated for their phytochemical profile and efficacy against both primary and secondary pancreatic cancer cell lines. The aqueous leaf extract of Angophora hispida exhibited statistically higher total phenolic content (107.85 ± 1.46 mg of gallic acid equiv. per g) and total flavonoid content (57.96 ± 1.93 mg rutin equiv. per g) and antioxidant capacity compared to the other tested eucalypts (P < 0.05). Both A. hispida and A. floribunda aqueous extracts showed statistically similar saponin contents. Angophora floribunda extract exerted significantly greater cell growth inhibition of 77.91 ± 4.93% followed by A. hispida with 62.04 ± 7.47% (P < 0.05) at 100 μg/ml in MIA PaCa‐2 cells with IC50 values of 75.58 and 87.28 μg/ml, respectively. More studies are required to isolate and identify the bioactive compounds from these two Angophora species and to determine their mode of action against pancreatic malignancies.
From Active‐Site Models to Real Catalysts: Importance of the Material Gap in the Design of Pd Catalysts for Methane Oxidation
Authors: Doan Hieu A. , Sharma Munish K. , Epling William S. , Grabow Lars C. 
Published: December 2016

AbstractRapid computational screening to aid novel catalyst design has evolved into an important and ubiquitous tool in modern heterogeneous catalysis. A possible shortcoming of this approach, however, is the material gap, that is, simplified computational models used for catalyst screening do not always capture the complexity of real catalytic systems. Here we investigate the importance of the material gap for complete methane oxidation over supported Pd/γ‐Al2O3 catalysts using a combination of DFT simulations and temperature‐programmed oxidation experiments. The Pd/γ‐Al2O3 active site was approximated by four models of increasing complexity, namely Pd(1 0 0), Pd(2 1 1), PdO(1 0 1), and Pd10/γ‐Al2O3(1 1 0), and each was also modified with metal promoters to discover reactivity trends. Although the unpromoted Pd model surfaces exhibit different methane activation activities, our DFT results indicate that an experimentally verified performance trend can be predicted for their promoted counterparts irrespective of the active‐site representation. We attribute the robustness of the trend predictions in this particular system to localized changes in the electron density during methane activation. Overall, our work supports the commonly practiced active‐site model simplifications during computational catalyst screening and provides fundamental insight into the qualitative agreement between theory and experiment for methane oxidation over promoted Pd catalysts.
Gas‐Solid Flow in an Airlift Loop Reactor: A Cluster Structure‐Dependent Drag Model
Authors: Chen Juhui , Meng Cheng , Wang Shuai , Song Xiaojiao 
Published: December 2016

AbstractThe hydrodynamic characteristics and heterogeneous structures in an airlift loop reactor (ALR) are analyzed by a computational fluid dynamics (CFD) approach. Based on the two‐fluid model, a modified cluster structure‐dependent (CSD) drag model under consideration of the cluster effects is applied to the prediction of the non‐uniform flow structure in the ALR. In comparison with experimental data and the traditional drag model, the present model enables a better prediction. The distributions of the local granular temperature in different regions of the ALR are indicated. The granular temperature in the particle diffluence region was found to be higher than that in the draft tube and annular zones.
Mesoporous NiCo2O4 Micro/nanospheres with Hierarchical Structures for Supercapacitors and Methanol Electro–oxidation
Authors: Zhang Liheng , Zhang Daoming , Ren Zhen , Huo Mengfei , Dang Guoju , Min Fanqi , Zhang Quansheng , Xie Jingying 
Published: December 2016

AbstractMesoporous NiCo2O4 materials with different 3D structures, including flower‐like hierarchical structures (NCO‐flower‐like HSs), nanoflake@nanoneedle‐like multiple hierarchical structures (NCO‐MHS) and urchin‐like hierarchical structures (NCO‐urchin‐like HSs), were prepared by using a facile, one‐step, NH4F‐induced hydrothermal method followed by thermal annealing. The physicochemical characterization of the as‐prepared materials was investigated by means of X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, and X‐ray photoelectron spectroscopy. The performance of the synthesized NiCo2O4 material as supercapacitor electrode materials was measured and the results demonstrate that the NCO‐MHSs and NCO‐urchin‐like HSs exhibit high specific capacitance values of 640 and 655 F ⋅ g−1 at a current density of 1 A ⋅ g−1, whereas the capacitance retention is 99.6 and 95 %, respectively, after 1000 cycles at a current density of 5 A ⋅ g−1. The electrocatalytic performance of synthetized NiCo2O4 for methanol electro‐oxidation was evaluated in 1 M KOH electrolyte. The NCO‐MHSs and NCO‐urchin‐like HSs deliver an electro‐oxidation current density of 51 and 48.5 A ⋅ g−1, respectively, at 0.65 V with excellent stability. The results indicate that the hierarchical structure of NiCo2O4 offers a promising electrode material for supercapacitors and methanol electro‐oxidation.
Mechanistic Insight into the Oxidation of Organic Phenylselenides by H2O2
Authors: Ribaudo Giovanni , Bellanda Massimo , Menegazzo Ileana , Wolters Lando P. , Bortoli Marco , Ferrer‐Sueta Gerardo , Zagotto Giuseppe , Orian Laura 
Published: December 2016

AbstractThe oxidation of organic phenylselenides by H2O2 is investigated in model compounds, namely, n‐butyl phenyl selenide (PhSe(nBu)), bis(phenylselanyl)methane (PhSeMeSePh), diphenyl diselenide (PhSeSePh), and 1,2‐bis(phenylselanyl)ethane (PhSeEtSePh). Through a combined experimental (1H and 77Se NMR) and computational approach, we characterize the direct oxidation of monoselenide to selenoxide, the stepwise double oxidation of PhSeMeSePh that leads to different diastereomeric diselenoxides, the complete oxidation of the diphenyldiselenide that leads to selenium–selenium bond cleavage, and the subsequent formation of the phenylseleninic product. The oxidation of PhSeEtSePh also results in the formation of phenylseleninic acid along with 1‐(vinylseleninyl)benzene, which is derived from a side elimination reaction. The evidence of a direct mechanism, in addition to an autocatalytic mechanism that emerges from kinetic studies, is discussed. By considering our observations of diselenides with chalcogen atoms that are separated by alkyl spacers of different length, a rationale for the advantage of diselenide versus monoselenide catalysts is presented.
Highly Flexible Multifunctional Biopaper Comprising Chitosan Reinforced by Ultralong Hydroxyapatite Nanowires
Authors: Sun Tuan‐Wei , Zhu Ying‐Jie , Chen Feng 
Published: December 2016

AbstractHighly flexible multifunctional biopaper comprising ultralong hydroxyapatite nanowires and chitosan (UHANWs/CS), with high weight fractions of ultralong hydroxyapatite nanowires (UHANWs) up to 100 wt. %, is reported. The as‐prepared UHANWs/CS composite biopaper has high flexibility and superior mechanical properties even when the weight fraction of UHANWs is as high as 90 wt. %. In contrast, the control samples consisting of hydroxyapatite nanorods and chitosan (HANRs/CS) with weight fractions of HANRs higher than 66.7 wt.% cannot be obtained in the form of the flexible membrane. The ultimate tensile strength and Young's modulus of the UHANWs/CS composite biopaper are about 3.2 times and 4.3 times those of the HANRs/CS membrane with the same weight fraction of HAP, respectively. In addition, the UHANWs/CS composite biopaper (90 wt. % UHANWs) can be used for color printing using a commercial ink‐jet printer. The surface wettability, swelling ratio, and water vapor transmission rate of the UHANWs/CS composite biopaper are adjustable by changing the addition amount of UHANWs. In vitro experiments indicate that the UHANWs/CS composite biopaper has good degradability, high acellular bioactivity and high biocompatibility. The as‐prepared UHANWs/CS composite biopaper is therefore promising for various biomedical applications such as wound dressing, bone‐fracture fixation, and bone‐defect repair.
Facile Access to Unprecedented Electron‐Precise Monohydrodiboranes(4), cis‐1,2‐Dihydrodiboranes(4), and a 1,1‐Dihydrodiborane(5)
Authors: Arrowsmith Merle , Braunschweig Holger , Radacki Krzysztof , Thiess Torsten , Turkin Arthur 
Published: December 2016

Abstract2,3‐Bis(dimethylamino)‐substituted B2N2C2 heterocycles underwent selective dimethylamino/hydride exchange with either one or two equivalents of BH3⋅SMe2 to give the corresponding cyclic monohydrido‐ or (cis)1,2‐dihydridodiboranes(4), respectively. Upon either heating or irradiation in solution, the latter underwent ring contraction to the corresponding five‐membered BN2C2 heterocycles, whereas irradiation of the 1,2‐dimethylaminoethene‐supported 1,2‐dihydridodiborane(4) in the presence of PEt3 gave an unprecedented unsymmetrical 1,1‐dihydrodiborane(5) phosphine adduct.
Ring‐Expansion Approach to Medium‐Sized Lactams and Analysis of Their Medicinal Lead‐Like Properties
Authors: Baud Laetitia G. , Manning Morgan A. , Arkless Helen L. , Stephens Thomas C. , Unsworth William P. 
Published: December 2016

AbstractMedium‐sized rings are widely considered to be under‐represented in biological screening libraries for lead identification in medicinal chemistry. To help address this, a library of medium‐sized lactams has been generated by using a simple, scalable and versatile ring‐expansion protocol. Analysis of the library by using open‐access computational tool LLAMA suggested that these lactams and their derivatives have highly promising physicochemical and 3D spatial properties and thus have much potential in drug discovery.
Compost from poultry hatchery waste as a biosorbent for removal of Cd(II) and Pb(II) from aqueous solutions
Authors: López‐Sotelo Juan B. , Quina Margarida J. , Gando‐Ferreira Licínio , Sánchez‐Báscones Mercedes , Navas‐Gracia Luis M. 
Published: December 2016

AbstractCompost from poultry hatchery waste (CPHW) was used as an efficient biosorbent for the removal of heavy metals from aqueous solutions. Single and competitive adsorption of Cd(II) and Pb(II) onto CPHW were studied. The optimum pH of the aqueous solution for Cd(II) and Pb(II) adsorption was found to be in the range 3 to 5. The pseudo‐second order model enabled a better description of the adsorption kinetics. Equilibrium data obtained at 25, 35, and 45 °C were better described by the Sips isotherm than by the Freundlich and Langmuir models. The maximum adsorption capacities calculated by applying the Sips isotherm were 32.3 mg/g for Cd(II) and 142.6 mg/g for Pb(II) at 25 °C. In binary metal ion solutions, a decrease in the adsorption capacity for both heavy metals was observed. The single and competitive adsorption tests revealed that the adsorption affinity was higher for Pb(II) than for Cd(II). Thermodynamic parameters such as ΔG0, ΔH0, and ΔS0 indicated that the adsorption was feasible, spontaneous, and endothermic. FTIR spectroscopy characterization showed that carboxyl and hydroxyl groups were involved in the adsorption of the metals. SEM‐EDX analysis confirmed that Cd(II) and Pb(II) may replace Ca(II) from biosorbent surface. Therefore, the results suggest that CPHW can be used as an economical biosorbent for Pb(II) and Cd(II) removal from aqueous solutions.
Cisplatin Primary Complex with l‐Histidine Target Revealed by IR Multiple Photon Dissociation (IRMPD) Spectroscopy
Authors: Corinti Davide , De Petris Alberto , Coletti Cecilia , Re Nazzareno , Chiavarino Barbara , Crestoni Maria E. , Fornarini Simonetta 
Published: December 2016

AbstractThe primary complex obtained from cisplatin and l‐histidine in water has been detected and isolated by electrospray ionization. The so‐obtained cis‐[PtCl(NH3)2(histidine)]+ complex has been characterized in detail by high‐resolution mass spectrometry (MS), tandem MS, IR multiple photon dissociation (IRMPD) spectroscopy, and by quantum chemical calculations. The structural features revealed by IRMPD spectroscopy indicate that platinum binds to the imidazole group, which presents tautomeric forms. Thus, depending on the position of the amino acid pendant on the imidazole ring, isomeric complexes are formed that are remarkably different with respect to the ease with which they undergo fragmentation when activated either by energetic collisions or by multiple IR photon absorption. It is shown here how IRMPD kinetics can allow their relative proportions to be estimated.
Freezing‐Facilitated Dehydration Allowing Deposition of ZnO from Aqueous Electrolyte
Authors: Tokumasu Kouki , Harada Makoto , Okada Tetsuo 
Published: December 2016

AbstractWhen an aqueous NaCl solution with low concentrations of transition metal ions is frozen, most of the solutes are concentrated in the freeze concentrated solutions (FCS). However, Zn2+ is often accumulated at sites where other elements are not detected. X‐ray absorption near‐edge structure spectroscopy at the Zn K‐edge indicates the formation of ZnO. A possible mechanism for the ZnO formation is discussed.
Enhancing the Photoelectrochemical Performance of a Hematite Dendrite/Graphitic Carbon Nitride Nanocomposite through Surface Modification with CoFeOx
Authors: Bhandary Nimai , Singh Aadesh P. , Ingole Pravin P. , Basu Suddhasatwa 
Published: December 2016

AbstractIn this article, we report the surface modification of a hematite dendrite/graphitic carbon nitride composite (HD/g‐CN) with an oxygen evolution catalyst (OER), specifically CoFeOx, to achieve enhanced photoelectrochemical (PEC) water splitting under visible‐light irradiation. Such modified hematite dendrites are studied for the first time for PEC water splitting and demonstrate higher activity compared to unmodified composites. The synthesized composites are characterized by X‐ray diffraction spectroscopy, Raman spectroscopy, field emission scanning electron microscopy (FESEM) and elemental dispersive analysis (EDX). The photoelectrochemical performance was studied by linear sweep voltammetry (LSV) under visible‐light irradiation. The photoelectrochemical characterization reveals that the CoFeOx/HD/g‐CN composite shows a maximum photocurrent density of 0.60 mA cm−2 at 1.23 V versus RHE (reversible hydrogen electrode), which is comparable to the best reported value of hematite. A Mott–Schottky analysis demonstrates the formation of a p–n heterojunction of CoFeOx with the HD/g‐CN composite which is responsible for the enhanced PEC activity as a result of efficient separation of photogenerated electron–hole pairs.
Synthesis of Acetone‐Derived C6, C9, and C12 Carbon Scaffolds for Chemical and Fuel Applications
Authors: Moore Cameron M. , Jenkins Rhodri W. , Janicke Michael T. , Kubic William L. , Polikarpov Evgueni , Semelsberger Troy A. , Sutton Andrew D. 
Published: December 2016

AbstractA simple, inexpensive catalyst system (Amberlyst 15 and Ni/SiO2–Al2O3) is described for the upgrading of acetone to a range of chemicals and potential fuels. Stepwise hydrodeoxygenation of the produced ketones can yield branched alcohols, alkenes, and alkanes. An analysis of these products is provided, which demonstrates that this approach can provide a product profile of valuable bioproducts and potential biofuels.
Epidemiology of diabetic kidney disease in adult patients with type 1 diabetes in Italy: The AMD‐Annals initiative
Authors: Pacilli Antonio , Viazzi Francesca , Fioretto Paola , Giorda Carlo , Ceriello Antonio , Genovese Stefano , Russo Giuseppina , Guida Pietro , Pontremoli Roberto , De Cosmo Salvatore ,   the AMD‐Annals Study Group
Published: December 2016

AbstractBackgroundPatients with type 1 diabetes mellitus are at increased risk of death. This risk appears to be modulated by kidney dysfunction. The aim of this study was to evaluate the prevalence of diabetic kidney disease (DKD), its traits, and clinical correlates in a large sample of patients with type 1 diabetes.MethodsClinical data of 20 464 patients with type 1 diabetes were extracted from electronic medical records. Estimated glomerular filtration rate (eGFR) and increased urinary albumin excretion were considered.ResultsMean age of the patients was 46 ± 16 years, 55.0% were males, and duration of diabetes 19 ± 13 years. The frequency of diabetic kidney disease, low eGFR, and albuminuria was 23.5%, 8.1%, and 19.5%, respectively. In the multivariate analysis the presence of diabetic kidney disease was associated with age (odds ratio [OR] = 1.14, 95% confidence interval [CI]: 1.10‐1.18), duration of diabetes (OR = 1.05, 95% CI: 1.03‐1.07), and worse glycemic control (OR = 1.24, 95% CI: 1.21‐1.28, for every 1% glycated hemoglobin increase). Diabetic kidney disease was also independently associated with an atherogenic lipid profile and increased systolic blood pressure. Glucose control, systolic blood pressure, triglycerides, and high density lipoprotein cholesterol were associated with both low eGFR and albuminuria. Male gender, retinopathy and smoke were related to albuminuria, being female was related to low eGFR, while SUA levels were associated with DKD, low eGFR and albuminuria.ConclusionsIn our sample of patients with type 1 diabetes, diabetic kidney disease entails an unsafe cardiovascular risk profile. Hyperglycemia, arterial hypertension, and atherogenic lipid profile affected both low eGFR and albuminuria. Retinopathy and smoking were related only to albuminuria while being female and elevated serum uric acid were associated only with low eGFR.