bluuebunny/crossref_metadata_2025 huggingface dataset:
Tres litigios sobre obras de arte en españa: el retablo del real monasterio de santa maría de sijena, las sinopias del «cielo de salamanca» y las estatuas de los profetas isaac y abraham del pórtico de la gloria
Authors: García Vicente José-Ramón
Published: June 2024

El proceso judicial en un marco cultural y digital es una obra que nace en el marco de dos Proyectos I+D+i del MICINN —«Ejes de la Justicia en tiempos de cambio» y «Transición Digital de la Justicia» (dirigidos por Sonia Calaza)—. El objetivo es compartir muchos ideales, convicciones, principios y emociones, con un hilo conductor común: el proceso judicial —el Poder Judicial, el «servicio público»: Justicia— como uno de los bastiones de nuestro Estado de Derecho: la motivación, el razonamiento, la congruencia y la decisión judicial —en definitiva, el juicio— como motor de cambio del mundo; el poder transformador del universo jurídico —a cargo de los principales protagonistas del proceso: jueces, fiscales, letrados de la Administración de Justicia, abogados, procuradores y justiciables— del que todos, en potencia o en acto, formamos parte, pues la Justicia es, sin duda alguna, además de un «valor esencial», el apasionado corazón de nuestro Estado social y democrático de Derecho. Este libro es, además, una auténtica representación literaria y digital de la creación judicial del Derecho: los jueces y magistrados, en su exclusiva función jurisdiccional, la del enjuiciamiento, afrontan una aplicación de la Ley que no siempre puede ser franca, diáfana y automática. El «enjuiciamiento» está hecho de «diferentes palos»: comprensión, razonamiento, motivación e interpretación —¡también capacidad de persuasión!—, del caso concreto, no exentos de creación, y auténtica recreación, judicial del Derecho.
Musikkterapeutens møte med andre kunstuttrykk
Authors: Häussler Myriam
Published: June 2024

Artikkelen utforsker hvordan bruk av andre kunstneriske uttrykk gir et utvidet perspektiv for musikkterapeutisk praksis og teori. Krystallisasjonsprinsippet i intermodal kunstterapi er et grunnlag for dette. Videre er fokus på paralleller mellom musikalske og terapeutiske prosesser som sees i sammenheng med begreper fra nyere psykoterapeutisk forskning. Temaet belyses gjennom et eksempel fra forfatterens arbeidspraksis i en voksenpsykiatrisk poliklinikk. Forfatteren viser at den intermodale overgangen mellom kunstformene åpner muligheten for å se overgangen som et sammenfattende perspektiv i kunstterapeutisk arbeid.
Determination of Solar Irradiance Benchmarks for Municipal Off-grid Photovoltaic Power System Development in Lagos State, Nigeria
Authors:   African Regional Centre for Space Science and Technology Education, Ile-Ife, Salu Babatunde , Ogundari Ibikunle , Akinbami John-Felix , Akarakiri Joshua
Published: June 2024

The paper examined the solar irradiance benchmarks for off-grid photovoltaic power systems development in Ikeja, Lagos State, Nigeria as a power supply alleviation strategy in the State and strategic model for other sponsors in Lagos State and Nigeria. Solar irradiance analysis, an energy technology foresight analysis method for effective energy planning and evaluation, was used. The solar irradiance analysis determined three solar irradiance measurements – the NiMet pyranometer, the NASA satellite, and the Mechlouch and Brahim (2008) model. The study determined the model graph to be incongruous with the NiMet pyranometer and NASA satellite-derived graph plots while the NIMet and NASA satellite plots essentially overlapped. The study adjudged the model graph as being theoretical and inappropriate while the NiMet and NASA readings gave realistic plots which were deemed acceptable as suitable solar irradiation benchmarks. In conclusion the study established solar irradiance benchmarks of 15 MJ/m2/day (upper (maximin) value) and 20 MJ/m2/day (lower (minimax) value) for the photovoltaic power systems development in Ikeja, Lagos State, Nigeria.
Research on the promotion and optimization of bicycle sharing in the post-Covid-19 epidemic economy
Authors: WANG RONG , YE KENAN , YANG YANGYANG , LI XIAOHUI , CHEN HUILIN , FENG SHENG-YA
Published: June 2024

In the post-pandemic era, people’s lifestyles have changed accordingly. Bicycle sharing has become a common means of transportation in people’s daily lives. In this article, we consider the factors that affect people’s choice to travel and analyze the supply and demand relationship of city bicycles. To this end, we use the analytic hierarchy process (AHP) to infer the conclusion that people prefer to use city bicycles as a means of travel during rush hour commuting and short-distance travel. In addition, we further propose a discrete gray model (DGM) to predict the development trend of city bicycles. The results show that the demand for city bicycles is steadily increasing. The research in this article can help governments and organizations plan urban transportation more rationally and maximize the use of urban transportation resources.
La función de ‘lo problemático’ en la distinción entre juicio y proposición en la Lógica y en la Crítica de la razón pura
Authors: Laos Igreda Claudia María
Published: June 2024

La distinción que Kant establece entre juicios y proposiciones, en la Lógica, tiene su fundamento en la diferencia de origen modal entre juicios problemáticos y asertóricos. Si se toma en consideración que en la Crítica de la razón pura los juicios asertóricos se definen por el carácter ‘efectivamente real’ que conlleva su afirmación o negación, la pregunta que naturalmente surge es ¿cómo debe entenderse el significado de los juicios problemáticos en los que no es posible aseverar algo como realmente existente, siendo que, en la Crítica de la razón pura, Kant hace depender el sentido y la significación de un juicio, de que nos sean dadas intuiciones? Tomando en consideración la aproximación al tema de los juicios problemáticos de autores como Capozzi (2002) y Vanzo (2012), este ensayo intenta dar cuenta del significado y la función que cumple el concepto de lo problemático en relación con la búsqueda de la verdad y el descubrimiento del error en el pensamiento de Kant. De modo específico, se defiende su coherente relación con los juicios provisionales y prejuicios, así como su aplicación en la aproximación dilemática a la antinomia de la razón.
Introducción al Dossier “Conocimiento, significado y lenguaje en Kant”
Authors: Scaglia Lara , Oroño Matías
Published: June 2024

El objetivo de los artículos de este dossier es abordar el tema “Conocimiento, significado y lenguaje en Kant”. Esta cuestión puede ser profundizada desde diferentes perspectivas, entre otras, desde la teoría del conocimiento, la ontología, la ética y la estética. En este volumen, las autoras y los autores tratan algunos de esos posibles enfoques, con lo cual esperan contribuir al desarrollo de ciertos problemas de naturaleza semántica y teórica en la filosofía crítica de Kant.
Ecodiscos: ¿revolución sostenible o estrategia de marketing?
Authors: Roig Antoni
Published: June 2024

Coldplay ha anunciado recientemente la reedición de varios de sus más populares trabajos en EcoRecord, un soporte físico donde el plástico reciclado PET sustituye al clásico PVC. Independientemente de preferencias musicales, hay que reconocer que Coldplay ha contribuido a visibilizar la necesidad de que la industria musical apueste por la sostenibilidad. ¿Pero qué significa esto y hasta qué punto este movimiento es real?
To the problem of waste disposal in the food industry. The experience of the fishing collective farm "Voskhod"
Authors: Adamova Mariya Andreevna , Bazilevich Mikhail Evgenevich
Published: June 2024

The article deals with the problem of waste disposal resulting from the activities of food industry enterprises located in remote areas of the far north. Using the example of the agricultural production cooperative Fishing collective farm "Voskhod", the possibility of minimizing pollution of the shipping environment and preserving the unique natural ecosystem of the Ayano-Maysky district of the Khabarovsk Territory is considered. The location of the main production facilities of the enterprise in the coastal zone in the southern part of the village of Ayan determines the features of the planning organization and operating conditions of the land plot built up in accordance with the technological chain with single-storey buildings and structures of various functional purposes, and also necessitates the search for optimal ways to solve the problem of collection and further disposal of industrial and household waste of the fishing collective farm. The limited navigation period and the lack of road communication with other areas of the Khabarovsk Territory necessitate the storage and processing of industrial waste from the fishing collective farm directly on its territory. The analysis of the planning and functional organization of the enterprise showed that the most optimal and economically cost–effective solution for waste disposal for the SEC of the Republic of Kazakhstan "Voskhod" is the method of their incineration, for which the authors of this publication propose the allocation of a site for the placement and commissioning of a high-temperature treatment plant for all types of waste in a chamber with an excessive supply of incinerator air. The use of this method will solve the problem of industrial waste disposal, and will also help reduce the negative impact on the health of employees and the environment.
Friction characteristics of colloidal particle systems with repulsive interactions of different force ranges
Authors: Duan Hao-Yang , Yang Ke-Xin , Cao Yi-Gang ,   School of Physics and Laboratory of Zhongyuan Light, Zhengzhou University, Zhengzhou 450001, China
Published: June 2024

Friction occurs in various systems from the nanoscale to the geophysical scale and plays a crucial role. The microscopic mechanism of friction and the origin of the dynamic ordering in interacting particle systems are still controversial. Using Langevin simulations, we study the friction of two-dimensional colloids on the substrate with randomly distributed point-like pinning centers. We consider three different model colloidal systems, and in each system the colloidal particles interact with each other through repulsive interactions that have two different force ranges. We find two maximum static friction forces (the first maximum static friction \begin{document}$ f_{{\text{c}}1}^{\text{d}} $\end{document} and the second maximum static friction \begin{document}$ f_{{\text{c2}}}^{\text{d}} $\end{document}). The interference between short-range repulsive interactions with similar force ranges in model-3 colloidal system can lead the repulsion between particles near pinning centers to significantly increase, resulting in a decrease in \begin{document}$ f_{{\text{c}}1}^{\text{d}} $\end{document} and an enhanced orderly movement along the direction of external driving forces above \begin{document}$ f_{{\text{c2}}}^{\text{d}} $\end{document}. The results provide guidance for revealing the friction mechanism in the colloidal particles with interactions that have different force ranges.
Strong isolation by distance and evidence of population microstructure reflect ongoing Plasmodium falciparum transmission in Zanzibar
Authors: Connelly Sean V , Brazeau Nicholas F , Msellem Mwinyi , Ngasala Billy E , Aydemir Ozkan , Goel Varun , Niaré Karamoko , Giesbrecht David J , Popkin-Hall Zachary R , Hennelly Chris , Park Zackary , Moormann Ann M , Ong'echa John M , Verity Robert , Mohammed Safia , Shija Shija J , Mhamilawa Lwidiko E , Morris Ulrika , Mårtensson Andreas , Lin Jessica T , Björkman Anders , Juliano Jonathan J , Bailey Jeffrey A
Published: June 2024

Background:

The Zanzibar archipelago of Tanzania has become a low-transmission area for Plasmodium falciparum. Despite being considered an area of pre-elimination for years, achieving elimination has been difficult, likely due to a combination of imported infections from mainland Tanzania and continued local transmission.

Methods:

To shed light on these sources of transmission, we applied highly multiplexed genotyping utilizing molecular inversion probes to characterize the genetic relatedness of 282 P. falciparum isolates collected across Zanzibar and in Bagamoyo district on the coastal mainland from 2016 to 2018.

Results:

Overall, parasite populations on the coastal mainland and Zanzibar archipelago remain highly related. However, parasite isolates from Zanzibar exhibit population microstructure due to the rapid decay of parasite relatedness over very short distances. This, along with highly related pairs within shehias, suggests ongoing low-level local transmission. We also identified highly related parasites across shehias that reflect human mobility on the main island of Unguja and identified a cluster of highly related parasites, suggestive of an outbreak, in the Micheweni district on Pemba island. Parasites in asymptomatic infections demonstrated higher complexity of infection than those in symptomatic infections, but have similar core genomes.

Conclusions:

Our data support importation as a main source of genetic diversity and contribution to the parasite population in Zanzibar, but they also show local outbreak clusters where targeted interventions are essential to block local transmission. These results highlight the need for preventive measures against imported malaria and enhanced control measures in areas that remain receptive to malaria reemergence due to susceptible hosts and competent vectors.

Funding:

This research was funded by the National Institutes of Health, grants R01AI121558, R01AI137395, R01AI155730, F30AI143172, and K24AI134990. Funding was also contributed from the Swedish Research Council, Erling-Persson Family Foundation, and the Yang Fund. RV acknowledges funding from the MRC Centre for Global Infectious Disease Analysis (reference MR/R015600/1), jointly funded by the UK Medical Research Council (MRC) and the UK Foreign, Commonwealth & Development Office (FCDO), under the MRC/FCDO Concordat agreement and is also part of the EDCTP2 program supported by the European Union. RV also acknowledges funding by Community Jameel.
Behçet's Disease Current Therapies: MTX- Imuran and Long-term Effect of VIT D and Colchicine (Multi Centric Cohort Study from Aseer Region, Saudi Arabia)
Authors: Alhammadi Nouf A , Alqahtani Mushary S. , Amer Khaled A. , Thawwab Abdullah AL , Zomia Ahmed Saad Al , Alqahtani Hanan , Alshahrani Fares Ayed , Alshehri Mohammed Abdullah , Alaslai Nasser Saidan , AlShahrani Maram Ali , Alshahrani Raghad Saad , Alshahrani Arwa Ayed , Alahmary Batool Abdullah , Alazragi Fahad Abdulruhman
Published: June 2024

Background: Behçet's disease (BD) is a rare, chronic inflammatory disorder that recurs over time, impacting multiple systems, positioning it at the intersection of autoimmune and auto-inflammatory syndromes. BD is a unique clinical entity known for its diverse manifestations with recurring oral ulcers are the most common, followed by genital ulcers. This article aims to explore and emphasize the diverse medication approaches for treating our patients with Behçet's disease.
Methods: A comprehensive retrospective analysis was conducted on medical records and data of patients under active care in rheumatology clinics, all of whom had a confirmed diagnosis of Behçet's disease looking for their different treatment options. We defined organ involvement severity to Mild (one organ), Moderate (2 organs) and sever is 3 and more organ involvement.
Results: 111 patients, evenly distributed by gender, we analyzed therapy effects on Behçet's disease. Azathioprine and methotrexate users (54 and 13 patients, respectively) were typically aged 21-60. Colchicine use (78 patients) showed consistent results, with similar organ involvement severity. Comparatively, Vitamin D use (55 patients) showed similar age and gender distribution, with a quarter exhibiting severe organ involvement. However, neurological, gastrointestinal, and pulmonary symptoms showed no significant differences across these groups.
Conclusion: In our study, we observed more sever disease in people taking MTX compared to Imuran. We also observed no morbidity or mortality benefit of vitamin D. Collaboration across disciplines is crucial for personalized treatment, considering organ involvement, age, gender, symptom intensity, and disease duration. Larger, prospective studies are needed to compare different Conventional Disease modifying agent and to consider mortality benefits of Colchicine in BD.
Differential Scanning Calorimetry: A Powerful and Versatile Tool for Analyzing Proteins and Peptides
Authors: Kuril Akhilesh Kumar
Published: June 2024

Differential Scanning Calorimetry (DSC) is an efficient and versatile analytical technique widely used to study the thermal properties and stability of proteins. This review article provides a comprehensive overview of the principles and applications of DSC in protein research. DSC measures the heat flow associated with temperature-induced conformational changes in proteins, allowing for the direct determination of key thermodynamic parameters such as melting temperature (Tm), enthalpy change (ΔH), and heat capacity change (ΔCp). These parameters provide valuable insights into protein and peptide stability, folding mechanisms, and interactions with ligands. The review discusses the methodological aspects of DSC, including sample preparation, experimental setup, and data analysis techniques. It also highlights the application of DSC in various aspects, such as drug discovery, biopharmaceutical development, and the study of protein-ligand interactions. By elucidating the thermal behavior of proteins, DSC contributes significantly to our understanding of protein and peptide structure, function, and stability, making it an indispensable tool in biochemical and biophysical research.
Apresentação
Authors: Barbalho Alexandre , Fiengo Sergio Edgar Villena
Published: June 2024

Apresentação do dossiê.
Quantitative assessment of foot structure in rheumatoid arthritis by a foot digitizer: Detection of deformities even in the absence of erosions
Authors: De Mits Sophie , Mielants Herman , De Clercq Dirk , Woodburn James , Roosen Philip , Elewaut Dirk
Published: October 2012

Objective

Foot involvement is a major feature in rheumatoid arthritis (RA), leading to structural deformities. Methods to allow a 3‐dimensional (3‐D) evaluation of foot structure in RA to be applicable in daily clinical practice have not been evaluated. This study assessed the use of a foot digitizer, a noninvasive 3‐D scanner collecting objective quantitative data of the feet, to evaluate the presence of foot structure abnormalities in an RA outpatient cohort.

Methods

Foot digitizer data of RA patients were compared with healthy controls. Subanalyses were performed to find relationships with erosive disease and the presence of swollen and/or tender joints. Linear mixed models were applied with correction, including sex, age, body weight and height, foot length, Disease Activity Score in 28 joints, and disease duration.

Results

Forty‐one percent of the patients showed >1 abnormal parameter, measured with the 3‐D foot scanner. Most differences found were located in the forefoot, the most frequently affected area of the RA foot. Strikingly, even in the absence of joint erosions, marked alterations were found. Comparable differences were also observed between the patients with and without swollen and/or tender joints. Additionally, alterations were not strongly related to foot pain and disability, suggesting the capacity of the foot digitizer to detect early changes in foot structure.

Conclusion

The results highlight the impact of RA on foot structure, even in the absence of clinical signs of swelling or radiographic erosions. The foot digitizer offers a valuable tool to screen for such foot deformities before the presence of erosions.
Highly Ordered Mesoporous Crystalline MoSe2 Material with Efficient Visible‐Light‐Driven Photocatalytic Activity and Enhanced Lithium Storage Performance
Authors: Shi Yifeng , Hua Chunxiu , Li Bin , Fang Xiangpeng , Yao Chaohua , Zhang Yichi , Hu Yong‐Sheng , Wang Zhaoxiang , Chen Liquan , Zhao Dongyuan , Stucky Galen D.
Published: October 2012

Highly ordered mesoporous crystalline MoSe2 is synthesized using mesoporous silica SBA‐15 as a hard template via a nanocasting strategy. Selenium powder and phosphomolybdic acid (H3PMo12O40) are used as Se and Mo sources, respectively. The obtained products have a highly ordered hexagonal mesostructure and a rod‐like particle morphology, analogous to the mother template SBA‐15. The UV‐vis‐NIR spectrum of the material shows a strong light absorption throughout the entire visible wavelength region. The direct bandgap is estimated to be 1.37 eV. The high surface area MoSe2 mesostructure shows remarkable photocatalytic activity for the degradation of rhodamine B, a model organic dye, in aqueous solution under visible light irradiation. In addition, the synthesized mesoporous MoSe2 possess a reversible lithium storage capacity of 630 mAh g−1 for at least 35 cycles without any notable decrease. The rate performance of mesoporous MoSe2 is much better than that of analogously synthesized mesoporous MoS2, making it a promising anode for the lithium ion battery.
Cyanide as a Powerful Catalyst for Facile Preparation of 2‐Substituted Benzoxazoles via Aerobic Oxidation
Authors: Cho Yeon Ho , Lee Chun‐Young , Ha Deok‐Chan , Cheon Cheol‐Hong
Published: October 2012

A cyanide‐catalyzed synthesis of 2‐substituted benzoxazoles from Schiff bases via aerobic oxidation has been developed. The products from various Schiff bases were obtained in high yields in an open flask under ambient conditions without other external oxidants. We have also developed a simple one‐step protocol for the synthesis of benzoxazoles from aminophenol and the corresponding aldehydes in the presence of cyanide without isolation of imine intermediates.
A Novel Rhodium‐Catalyzed Cascade Cyclization: Direct Synthesis of 3‐Substituted Phthalides from Aldehydes and Aromatic Acids
Authors: Shi Xianying , Li Chao‐Jun
Published: October 2012

A novel rhodium(III)‐catalyzed direct functionalization of ortho CH bonds of benzoic acid derivatives and an intramolecular cyclization sequence generates 3‐substituted phthalides in moderate to good yields. This cascade cyclization involves a Grignard‐type arylation of an aldehyde and subsequent intramolecular nucleophilic substitution. No theoretical waste except for water is generated in the reaction.
Asymmetric α‐Amination of Aldehydes Catalyzed by PS‐Diphenylprolinol Silyl Ethers: Remediation of Catalyst Deactivation for Continuous Flow Operation
Authors: Fan Xinyuan , Sayalero Sonia , Pericàs Miquel A.
Published: October 2012

Polystyrene (PS)‐supported diphenylprolinol silyl ethers have been developed as highly active catalysts for the enantioselective α‐amination of aldehydes. Understanding the mechanism of catalyst deactivation has led to the development of reaction conditions notably extending catalyst life in repeated recycling (10 cycles; accumulated TON of 480) and has allowed the implementation of a continuous flow α‐amination process (6 min residence time, 8 h operation).
Microfluidics in the “Open Space” for Performing Localized Chemistry on Biological Interfaces
Authors: Kaigala Govind V. , Lovchik Robert D. , Delamarche Emmanuel
Published: October 2012

Local interactions between (bio)chemicals and biological interfaces play an important role in fields ranging from surface patterning to cell toxicology. These interactions can be studied using microfluidic systems that operate in the “open space”, that is, without the need for the sealed channels and chambers commonly used in microfluidics. This emerging class of techniques localizes chemical reactions on biological interfaces or specimens without imposing significant “constraints” on samples, such as encapsulation, pre‐processing steps, or the need for scaffolds. They therefore provide new opportunities for handling, analyzing, and interacting with biological samples. The motivation for performing localized chemistry is discussed, as are the requirements imposed on localization techniques. Three classes of microfluidic systems operating in the open space, based on microelectrochemistry, multiphase transport, and hydrodynamic flow confinement of liquids are presented.
Exploiting syntactic and semantic relationships between terms for opinion retrieval
Authors: Guo Liqiang , Wan Xiaojun
Published: October 2012

Opinion retrieval is the task of finding documents that express an opinion about a given query. A key challenge in opinion retrieval is to capture the query‐related opinion score of a document. Existing methods rely mainly on the proximity information between the opinion terms and the query terms to address the key challenge. In this study, we propose to incorporate the syntactic and semantic information of terms into a probabilistic model to capture the query‐related opinion score more accurately. The syntactic tree structure of a sentence is used to evaluate the modifying probability between an opinion term and a noun within the sentence with a tree kernel method. Moreover, WordNet and the probabilistic topic model are used to evaluate the semantic relatedness between any noun and the given query. The experimental results over standard TREC baselines on the benchmark BLOG06 collection demonstrate the effectiveness of our proposed method, in comparison with the proximity‐based method and other baselines.
An ethical perspective on political‐economic issues in the long‐term preservation of digital heritage
Authors: Lor Peter Johan , Britz J.J.
Published: October 2012

The article provides an overview of the main ethical and associated political‐economic aspects of the preservation of born‐digital content and the digitization of analogue content for purposes of preservation. The term “heritage” is used broadly to include scientific and scholarly publications and data. Although the preservation of heritage is generally seen as inherently “good,” this activity implies the exercise of difficult moral choices. The ethical complexity of the preservation of digital heritage is illustrated by means of two hypothetical cases. The first deals with the harvesting and preservation in a wealthy country of political websites originating in a less affluent country. The second deals with a project initiated by a wealthy country to digitize the cultural heritage of a less affluent country. The ethical reflection that follows is structured within the framework of social justice and a set of information rights that are identified as corollaries of generally recognized human rights. The main moral agents, that is, the parties that have an interest, and may be entitled to exercise rights, in relation to digital preservation, are identified. The responsibilities that those who preserve digital content have toward these parties, and the political‐economic considerations that arise, are then analyzed.
Asymmetric Mixed‐Valence Complexes that Consist of Cyclometalated Ruthenium and Ferrocene: Synthesis, Characterization, and Electronic‐Coupling Studies
Authors: Wu Si‐Hai , Shen Jun‐Jian , Yao Jiannian , Zhong Yu‐Wu
Published: October 2012

Three bis‐tridentate ferrocene‐containing cyclometalated ruthenium complexes, [(Fcdpb)Ru(tpy)]+ (1+), [(Fctpy)Ru(dpb)]+ (2+), and [(Fcdpb)Ru(Fctpy)]+ (3+), have been prepared and characterized, where Fcdpb is the 2‐deprotonated form of 1,3‐di(2‐pyridyl)‐5‐ferrocenylbenzene, tpy is 2,2′:6′,2“‐terpyridine, dpb is the 2‐deprotonated form of 1,3‐di(2‐pyridyl)benzene, and Fctpy is 4′‐ferrocenyl‐2,2′:6′,2”‐terpyridine. Single crystals of compounds 2+ and 3+ have been studied by X‐ray analysis. Complexes 1+ and 2+ displayed two anodic redox waves, whilst three well‐separated redox couples were observed for compound 3+. A combined experimental and computational study suggested that the ferrocene unit on the Fcdpb moiety in compounds 1+ and 3+ was oxidized first. In contrast, the order of the oxidation of ruthenium and ferrocene in complex 2+ was reversed. Metal‐to‐metal‐charge‐transfer transitions (MM′CT) have been observed for the singly oxidized states 12+, 22+, and 32+ in the near‐infrared region. Hush analysis showed that the metal–metal electronic couplings in compounds 12+ and 32+ were much stronger than those in compound 22+.
Regional gastrointestinal delivery of remogliflozin etabonate in humans
Authors: O'Connor‐Semmes Robin L. , Sandefer Erik P. , Hussey Elizabeth K. , Tao Wenli , Doll Walter J. , Page Richard C. , Dobbins Robert
Published: October 2012

Remogliflozin etabonate (RE) is the prodrug of remogliflozin (R), an inhibitor of renal glucose transport designed to reduce blood glucose concentrations for the treatment of type 2 diabetes. This open‐label, randomized, single‐dose, four‐way crossover study, (with one add‐on arm) in eight healthy men evaluated the regional gastrointestinal absorption of RE, the systemic appearance of the active entity R, and an active metabolite, GSK279782. The InteliSite® Companion Capsule was used to administer a single dose of RE 100 mg to the mid‐small intestine or cecum/colon. Oral administration of the IR tablet of RE showed similar bioavailability of R compared with small intestine delivery with both suspension and solution. The lowest bioavailability of remogliflozin was found with large intestine delivery and therefore not a suitable region for prodrug delivery. Although both lower permeability and decreased ester hydrolysis of remogliflozin etabonate in the colon can explain reduced plasma exposures of remogliflozin, the data suggest relatively limited remogliflozin etabonate hydrolysis in the colon and provides evidence for a diminishing gradient of esterase activity from small to large intestine. Copyright © 2012 John Wiley & Sons, Ltd.
Metabolism of 7‐ethoxycoumarin, safrole, flavanone and hydroxyflavanone by cytochrome P450 2A6 variants
Authors: Uno Tomohide , Obe Yuichiro , Ogura Chika , Goto Tatsushi , Yamamoto Kohei , Nakamura Masahiko , Kanamaru Kengo , Yamagata Hiroshi , Imaishi Hiromasa
Published: October 2012

CYP 2A6 is a human enzyme that metabolizes many xenobiotics including coumarin, indole, nicotine and carcinogenic nitrosamines. The gene for CYP2A6 is polymorphic. There are few data available to clarify the relationship between P450 genetic variants and the metabolism of materials in food. The CYP 2A6 wild‐type protein and 13 mutants (CYP2A6.1, CYP2A6.2, CYP2A6.5, CYP2A6.6, CYP2A6.7, CYP2A6.8, CYP2A6.11, CYP2A6.15, CYP2A6.16, CYP2A6.17, CYP2A6.18, CYP2A6.21, CYP2A6.23 and CYP2A6.25) were co‐expressed with NADPH‐cytochrome P450 reductase in E. coli. The hydroxylase activities toward 7‐ethoxycoumarin, coumarin, safrole, flavanone and hydroxyflavanone were examined. Ten types of CYP2A6 variants except for CYP2A6.2, CYP2A6.5 and CYP2A6.6 showed Soret peaks (450 nm) typical of P450 in the reduced CO‐difference spectra and had 7‐ethoxycoumarin O‐deethylase activities. CYP2A6.15 and CYP2A6.18 showed higher activities for safrole 1′‐hydroxylation than CYP2A6.1. CYP2A6.25 and CYP2A6.7 had lower safrole 1′‐hydroxylase activities. CYP2A6.7 had lower flavanone 6‐ and 2′‐hydroxylase activities, whereas CYP2A6.25 had higher 6‐hydroxylase activity and lower 2′‐hydroxylase activity. Hydroxyflavanone was metabolized by CYP2A6.25, but was not metabolized by wild‐type CYP2A6.1. These results indicate that CYP2A6.25 possessed new substrate specificity toward flavonoids. Copyright © 2012 John Wiley & Sons, Ltd.
Antioxidant and antiapoptotic effects of proanthocyanidin and ginkgo biloba extract against doxorubicin‐induced cardiac injury in rats
Authors: Boghdady Noha Ahmed El
Published: October 2012

Grape seed proanthocyanidins (GSPE) and ginkgo biloba extract (EGb761) are considered to have protective effects against several diseases. The cardiotoxicity of doxorubicin (DOX) has been reported to be associated with oxidative damage. This study was conducted to evaluate the cardioprotective effects of GSPE and EGb761 against DOX‐induced heart injury in rats. DOX was administered as a single i.p. dose (20 mg kg–1) to adult male rats. DOX‐intoxicated rats were orally administered GSPE (200 mg kg–1 day–1) or EGb761 (100 mg kg–1 day–1) for 15 consecutive days, starting 10 days prior DOX injection. DOX‐induced cardiotoxicity was evidenced by a significant increase in serum aspartate transaminase (AST), creatine phosphokinase isoenzyme (CK‐MB), lactate dehydrogenase (LDH), total cholesterol (TC) and triglyceride (TG) activities and levels. Increased oxidative damage was expressed by the depletion of cardiac reduced glutathione (GSH), elevation of cardiac total antioxidant (TAO) level and accumulation of the lipid peroxidation product, malondialdehyde (MDA). Significant rises in cardiac tumour necrosis factor‐alpha (TNF‐α) and caspase‐3 levels were noticed in DOX‐intoxicated rats. These changes were ameliorated in the GSPE and EGb761‐treated groups. Histopathological analysis confirmed the cardioprotective effects of GSPE and EGb761. In conclusion, GSPE and EGb761 mediate their protective effect against DOX‐induced cardiac injury through antioxidant, anti‐inflammatory and antiapoptotic mechanisms. Copyright © 2012 John Wiley & Sons, Ltd.
Mechanistic Studies on the Catalytic Oxidative Amination of Alkenes by Rhodium(I) Complexes with Hemilabile Phosphines
Authors: Jiménez M. Victoria , Bartolomé M. Isabel , Pérez‐Torrente Jesús J. , Gómez Daniel , Modrego F. Javier , Oro Luis A.
Published: October 2012

Cationic rhodium(I) complexes with P,O‐functionalised arylphosphine ligands are efficient catalysts for the regioselective anti‐Markovnikov oxidative amination of styrene with piperidine. The mechanism of the catalytic reaction has been investigated by spectroscopic means under stoichiometric and catalytic conditions. In the presence of piperidine, the catalyst precursor [Rh{κ2‐P,O‐Ph2P(CH2)3OEt}2]+ (5) gave the piperidine complex [Rh{κ1‐P‐Ph2P(CH2)3OEt}2(HNC5H10)2]+ (8) that was transformed into the neutral amido–piperidine species [Rh{κ1‐P‐Ph2P(CH2)3OEt}2(NC5H10)(HNC5H10)] (9) under thermal conditions. NMR studies performed in the presence of styrene under catalytic conditions showed that 9 is a key species in the catalytic oxidative amination of styrene. Related cyclooctadiene‐containing catalyst precursors [Rh(cod){κ1‐P‐Ph2P(CH2)3OEt}n]+ (n=1, 2) also gave 9 under the same conditions. The proposed catalytic cycle has been established by a series of DFT calculations including the transition states of the key steps that have been identified and characterised. These studies have shown that, after elimination of the enamine, regeneration of catalytic active species takes place by direct transfer of the proton of a piperidine ligand to the alkyl group resulting from the insertion of styrene into the RhH bond and formation of ethylbenzene. Against the expectations, the formation of a dihydride intermediate by NH oxidative addition is a highly energy‐demanding process. Catalyst 5 has also been applied for the oxidative amination of substituted vinylarenes with several secondary cyclic and acyclic amines.
Chirality and Template‐Mediated Induction of Helical Preferences in Achiral β‐Peptides
Authors: Sharma Gangavaram V. M. , Kodeti Srinivas Reddy , Dutta Samit K. , Velaparthi Subash , Narsimulu Kongari , Anjaiah Gonuguntla , Basha Shaik Jeelani , Kunwar Ajit C.
Published: October 2012

This study describes chirality‐ or template‐mediated helical induction in achiral β‐peptides for the first time. A strategy of end capping β‐peptides derived from β‐hGly (the smallest achiral β‐amino acid) with a chiral β‐amino acid that possesses a carbohydrate side chain (β‐Caa; C‐linked carbo β‐amino acid) or a small, robust helical template derived from β‐Caas, was adopted to investigate folding propensity. A single chiral (R)‐β‐Caa residue at the C‐ or N‐terminus in these oligomers led to a preponderance of right‐handed 12/10‐helical folds, which was reiterated more strongly in peptides capped at both the C‐ and N‐terminus. Likewise, the presence of a template (a 12/10‐helical trimer) at both the C‐ and N‐terminus resulted in a very robust helix. The propagation of the helical fold and its sustenance was found in a homo‐oligomeric sequence with as many as seven β‐hGly residues. In both cases, the induction of helicity was stronger from the N terminus, whereas an anchor at the C terminus resulted in reduced helical propensity. Although these oligomers have been theoretically predicted to favor a 12/10‐mixed helix in apolar solvents, this study provides the first experimental evidence for their existence. Diastereotopicity was found in both the methylene groups of the β‐hGly moieties due to chirality. Additionally, the β‐hGly units have shown split behavior in the conformational space to accommodate the 12/10‐helix. Thus, end capping to assist chiralty‐ or template‐mediated helical induction and stabilization in achiral β‐peptides is a very attractive strategy.
Visible‐Light Photocatalytic Hydrogen Generation by Using Dye‐Sensitized Graphene Oxide as a Photocatalyst
Authors: Latorre‐Sánchez Marcos , Lavorato Cristina , Puche Marta , Fornés Vicente , Molinari Raffaele , Garcia Hermenegildo
Published: October 2012

Dye‐sensitized graphene oxide is able to generate hydrogen from water/methanol mixtures (80:20) by using visible or solar light. The most efficient photocatalyst tested contained a tris(2,2‐bipyridyl) ruthenium(II) complex incorporated in the interlayer spaces of a few layers of graphene oxide with a moderate degree of oxidation. The graphene oxide‐based photocatalyst does not contain noble metals and we have determined that it is two orders of magnitude more active than catalysts based on conventional titania.
Far‐Infrared‐Assisted Preparation of a Graphene–Nickel Nanoparticle Hybrid for the Enrichment of Proteins and Peptides
Authors: Qu Weidong , Bao Huimin , Zhang Luyan , Chen Gang
Published: October 2012

A new approach based on far infrared‐assisted in situ reduction was developed for the facile one‐step preparation of graphene–nickel nanoparticle hybrid by refluxing a mixture solution containing graphene oxide, nickel(II) sulfate, and hydrazine over an far‐infrared heater. The reduction time was as short as 20 min. The structure of the material was investigated by transmission electron microscopy, scanning electron microscopy, X‐ray diffraction, energy dispersive spectroscopy, vibrating sample magnetometery, and Fourier transform infrared spectroscopy. Magnetic investigations indicate that the grapheme–nickel nanoparticle hybrid exhibits ferromagnetic behavior at room temperature. Meanwhile, the hybrid was successfully employed in the enrichment and identification of proteins and peptides in combination with matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry based on its excellent magnetic responsibility, high dispersibility, large surface area, and hydrophobicity, indicating great promise for a wide range of applications.
Multilayer Films with Nanocontainers: Redox‐Controlled Reversible Encapsulation of Guest Molecules
Authors: Zhang Jiawei , Liu Yiliu , Yuan Bin , Wang Zhiqiang , Schönhoff Monika , Zhang Xi
Published: October 2012

Stable multilayer films with cucurbit[8]uril have been fabricated on the basis of the alternating layer‐by‐layer assembly of a novel side‐chain pseudopolyrotaxane and a photoreactive polyanion. The as‐prepared multilayer films exhibit good properties as surface‐imprinted multilayers, because cucurbit[8]uril molecules that are locked inside the multilayers can act as nanocontainers with specific binding to certain guest molecules, and the loading and release of the guest is redox‐controllable and reversible.
ChemInform Abstract: Copper Bismuth Chalcogenide Halogenides with Extensively Disordered and Mobile Copper(I) Cations.
Authors: Heerwig Andreas , Mueller Ulrike , Nitsche Fabian , Ruck Michael
Published: October 2012

The compounds Cu3.58Bi4.42Se6.84Cl3.16 (I), Cu4.52Bi3.48Se4.96Br5.04 (II), and Cu3.33Bi2S3.33I2.67 (III) are obtained by slow cooling of high temperature melts and characterized by single crystal XRD.
ChemInform Abstract: Gd13Fe10C13: Indications of Fe—Fe Multiple Bonding Emerging from Chemical Frustration.
Authors: Hadler Amelia B. , Fredrickson Daniel C.
Published: October 2012

The title compound is synthesized by arc‐melting of stoichiometric mixtures of the elements followed by annealing at 900 °C for 350 h.
ChemInform Abstract: Differentiating Between Trivalent Lanthanides and Actinides.
Authors: Polinski Matthew J. , Grant Daniel J. , Wang Shuao , Alekseev Evgeny V. , Cross Justin N. , Villa Eric M. , Depmeier Wulf , Gagliardi Laura , Albrecht‐Schmitt Thomas E.
Published: October 2012

The reaction products of LnCl3 (Ln: Y, La—Lu) and AnCl3 (An: Pu, Am, Cm) with molten boric acid are characterized by single crystal XRD, UV/VIS/NIR spectroscopy, and DFT quantum chemical calculations.
ChemInform Abstract: Formation of LiBH4 Hydrate with Dihydrogen Bonding.
Authors: Yamawaki Hiroshi , Fujihisa Hiroshi , Gotoh Yoshito , Nakano Satoshi
Published: October 2012

LiBH4·H2O, obtained by exposing LiBH4 to air with about 5% relative humidity at room temperature is characterized by powder XRD, IR transmission spectroscopy, and DFT calculations.
ChemInform Abstract: Enhanced Luminescence of Sr2SiO4:Dy3+ by Sensitization (Ce3+/Bi3+) and Its Composition‐Induced Phase Transition.
Authors: Zhang Le , Han Pengde , Wang Kun , Lu Zhou , Wang Lixi , Zhu Yunfeng , Zhang Qitu
Published: October 2012

Ce3+/Bi3+ codoped Sr2SiO4:Dy3+ phosphors are prepared by solid state reactions of Dy2O3, SrCO3, SiO2, Ce(NO3)3, Bi2O3, and Li2CO3 using NH4Cl as a flux (1000 °C, 4 h).
ChemInform Abstract: Synthesis, Structure and Photoluminescence Properties of Fine Yellow‐Orange Ca‐α‐SiAlON: Eu2+ Phosphors.
Authors: Yang Zhigang , Wang Yuhua , Zhao Zhengyan
Published: October 2012

Ca0.8Si9.2Al2.8O1.2 N14.8:xEu2+ (x = 0—0.24) phosphors are prepared by the carbothermal reduction and nitridation method starting with stoichiometric mixtures of CaCO3, Al2O3, Si3N4, Eu2O3, and high purity activated charcoal (alumina crucible, N2 gas flow, 1600 °C, 4 h).
ChemInform Abstract: Phase Relations and Crystal Structures in the System Ce—Ni—Zn at 800 °C.
Authors: Malik Z. , Grytsiv A. , Rogl P. , Giester G.
Published: October 2012

Phase relations and crystal structures for the title system are determined by powder and single crystal XRD.
ChemInform Abstract: Synthesis, Structural Characterization, and Physical Properties of the Type‐I Clathrates A8Zn18As28 (A: K, Rb, Cs) and Cs8Cd18As28.
Authors: He Hua , Zevalkink Alex , Gibbs Zachary M. , Snyder G. Jeffrey , Bobev Svilen
Published: October 2012

The new title clathrates are synthesized in high yields by reacting mixtures of As and Zn or Cd in alumina crucibles at 720 °C for 2 d followed by reaction of the obtained precursors with the alkali metals (sealed Nb tube, 550 °C, 3—5 d).
ChemInform Abstract: A New Al‐MOF Based on a Unique Column‐Shaped Inorganic Building Unit Exhibiting Strongly Hydrophilic Sorption Behavior.
Authors: Reinsch Helge , Marszalek Bartosz , Wack Julia , Senker Juergen , Gil Barbara , Stock Norbert
Published: October 2012

The new metal‐organic framework [Al13(OH)27(H2O)6 (bdc‐NH2)3Cl6(iPrOH)6] (H2bdc‐NH2: 2‐aminoterephthalic acid) is solvothermally synthesized from a mixture of H2bdc‐NH2 and a large excess of AlCl3 in i‐PrOH (autoclave, 120 °C, 12 h).
ChemInform Abstract: Structural, Optical, and Transport Properties of α‐ and β‐Ag3VO4.
Authors: Poeppelmeier K. R. , et al. et al.
Published: October 2012

Single crystals of α‐Ag3VO4 are hydrothermally prepared from aqueous mixtures of Ag2O, V2O5, and HF as a mineralizer (autoclave, 150 °C, 24 h).
ChemInform Abstract: Organocatalyzed Michael—Henry Reactions: Enantioselective Synthesis of Cyclopentanecarbaldehydes via the Dienamine Organocatalysis of a Succinaldehyde Surrogate.
Authors: Hong Bor‐Cherng , Chen Po‐Yuan , Kotame Prakash , Lu Pei‐Ying , Lee Gene‐Hsiang , Liao Ju‐Hsiou
Published: October 2012

Formal [3 + 2]cycloaddition of 4‐hydroxybut‐2‐enal, a succinaldehyde surrogate, with nitroalkenes in the presence of Jorgensen—Hayashi catalyst provides cyclopentanecarbaldehydes containing 4 consecutive stereogenic centers with excellent enantioselectivities.
ChemInform Abstract: Asymmetric Dehydrative C‐, N‐, and O‐Allylation Using Naph‐diPIM‐dioxo‐i‐Pr—CpRu/p‐TsOH Combined Catalyst.
Authors: Miyata Kengo , Kitamura Masato
Published: October 2012

The combined catalyst which contains either (I) or its enantiomer is found to be significantly active for intermolecular and intramolecular versions.
ChemInform Abstract: Organocatalytic Enantioselective Substitution of MBH Carbonates by 2‐Fluoromalonates.
Authors: Wang Bing , Companyo Xavier , Li Jing , Moyano Albert , Rios Ramon
Published: October 2012

A practical asymmetric allylic substitution of Baylis—Hillman carbonates (I) with 2‐fluoromalonate (II) is achieved in the presence of β‐isocupreidine as organocatalyst.
ChemInform Abstract: The Use of New Chiral Phosphite and Amidophosphite Ligands in the Rh‐Catalyzed Hydrogenation of Dehydro‐β‐amino Acid Derivatives.
Authors: Lyubimov S. E. , Rastorguev E. A. , Petrovskii P. V. , Davankov V. A.
Published: October 2012

The ligands show high enantioselectivity up to 75% e.e.
ChemInform Abstract: Discovery of a Multi‐Bond Forming, Four‐Step Tandem Process: Construction of Drug‐Like Polycyclic Scaffolds.
Authors: Grafton Mark W. , Farrugia Louis J. , Senn Hans Martin , Sutherland Andrew
Published: October 2012

All products are isolated as single diastereomers.
ChemInform Abstract: Asymmetric Direct Vinylogous Michael Reaction Catalyzed by Self‐Assembled Organocatalyst.
Authors: Chen Wei‐Yi , Ouyang Luo , Chen Rui‐Ye , Li Xin‐Sheng
Published: October 2012

The 1:1 mixture of a quinidine‐derived thiourea and L‐proline can catalyze direct vinylogous Michael reactions of nitroolefins with alkylidenemalononitriles in absolute diastereo‐ and high enantioselectivities.
ChemInform Abstract: Enantiopure 3‐Methyl‐3,4‐dihydroisocoumarins and 3‐Methyl‐1,2,3,4‐tetrahydroisoquinolines via Chemoenzymatic Asymmetric Transformations.
Authors: Mangas‐Sanchez Juan , Busto Eduardo , Gotor‐Fernandez Vicente , Goto Vicente
Published: October 2012

A new asymmetric synthetic route for the synthesis of enantiomerically pure isocoumarin and isoquinoline derivatives employs stereoselective formation of hydroxypropyl benzonitriles ((S)‐III) as the key step.
ChemInform Abstract: Preparation of Functional Benzofurans and Indoles via Chemoselective Intramolecular Wittig Reactions.
Authors: Lee Yu‐Ting , Jang Yeong‐Jiunn , Syu Siang‐en , Chou Shu‐Chi , Lee Chia‐Jui , Lin Wenwei
Published: October 2012

The reaction is conducted under mild conditions.
ChemInform Abstract: A Practical Synthesis of Biaryls and Aromatic Acetylenes by Stille Coupling in Room‐Temperature Ionic Liquids.
Authors: Hao Wenyan , Xi Zhiwen , Cai Mingzhong
Published: October 2012

The cross‐coupling does not require cuprous iodide as co‐catalyst.
ChemInform Abstract: Pd(II)‐Catalyzed Primary‐C(sp3)—H Acyloxylation at Room Temperature.
Authors: Rit Raja K. , Yadav M. Ramu , Sahoo Akhila K.
Published: October 2012

The direct diacetoxylation is feasible [cf.(XII)].
ChemInform Abstract: The Hydration of Nitriles Catalyzed by Simple Transition Metal Salt of the Fourth Period with the Aid of Acetaldoxime.
Authors: Ma Xiaoyun , He Ying , Wang Pengcheng , Lu Ming
Published: October 2012

The present new method for the selective hydration of nitriles into amides employs acetaldoxime and a simple transition‐metal catalyst.
ChemInform Abstract: Zinc Chloride Promoted Efficient and Facile BOC Protection of Amines.
Authors: Arifuddin M. , Lakshmikant N. , Rajasekar N. , Shinde D. B.
Published: October 2012

The protection protocol appears to be competitive and in some cases even superior to previously reported procedures that require basic conditions.
ChemInform Abstract: Ti(Oi‐Pr)4‐Promoted Regio‐ and Stereoselective Aminolysis of 2,3‐Epoxy Amides.
Authors: Righi Giuliana , Mantineo Agnese , Suber Lorenza , Mari Alessandra
Published: October 2012

A novel simple protocol allows the preparation of highly functionalized vicinal amino alcohols under mild conditions.