bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase
Authors: Díaz Roberto Efraín , Ecker Andrew K. , Correy Galen J. , Asthana Pooja , Young Iris D. , Faust Bryan , Thompson Michael C. , Seiple Ian B. , Van Dyken Steven J. , Locksley Richard M. , Fraser James S.
Published: May 2024

Chitin is an abundant biopolymer and pathogen-associated molecular pattern that stimulates a host innate immune response. Mammals express chitin-binding and chitin-degrading proteins to remove chitin from the body. One of these proteins, Acidic Mammalian Chitinase (AMCase), is an enzyme known for its ability to function under acidic conditions in the stomach but is also active in tissues with more neutral pHs, such as the lung. Here, we used a combination of biochemical, structural, and computational modeling approaches to examine how the mouse homolog (mAMCase) can act in both acidic and neutral environments. We measured kinetic properties of mAMCase activity across a broad pH range, quantifying its unusual dual activity optima at pH 2 and 7. We also solved high resolution crystal structures of mAMCase in complex with oligomeric GlcNAcn, the building block of chitin, where we identified extensive conformational ligand heterogeneity. Leveraging these data, we conducted molecular dynamics simulations that suggest how a key catalytic residue could be protonated via distinct mechanisms in each of the two environmental pH ranges. These results integrate structural, biochemical, and computational approaches to deliver a more complete understanding of the catalytic mechanism governing mAMCase activity at different pH. Engineering proteins with tunable pH optima may provide new opportunities to develop improved enzyme variants, including AMCase, for therapeutic purposes in chitin degradation.
Adaptation of CD4 in gorillas and chimpanzees conveyed resistance to simian immunodeficiency viruses
Authors: Warren Cody J. , Barbachano-Guerrero Arturo , Bauer Vanessa L. , Stabell Alex C. , Dirasantha Obaiah , Yang Qing , Sawyer Sara L.
Published: May 2024

Simian immunodeficiency viruses (SIVs) comprise a large group of primate lentiviruses that endemically infect African monkeys. HIV-1 spilled over to humans from this viral reservoir, but the spillover did not occur directly from monkeys to humans. Instead, a key event was the introduction of SIVs into great apes, which then set the stage for infection of humans. Here, we investigate the role of the lentiviral entry receptor, CD4, in this key and fateful event in the history of SIV/HIV emergence. First, we reconstructed and tested ancient forms of CD4 at two important nodes in ape speciation, both prior to the infection of chimpanzees and gorillas with these viruses. These ancestral CD4s fully supported entry of diverse SIV isolates related to the viruses that made this initial jump to apes. In stark contrast, modern chimpanzee and gorilla CD4 orthologs are more resistant to these viruses. To investigate how this resistance in CD4 was gained, we acquired
CD4
gene sequences from 32 gorilla individuals of two species, and identified alleles that encode 8 unique CD4 protein variants. Functional testing of these identified variant-specific differences in susceptibility to virus entry. By engineering single point mutations from resistant gorilla CD4 variants into the permissive human CD4 receptor, we demonstrate that acquired substitutions in gorilla CD4 did convey resistance to virus entry. We provide a population genetic analysis to support the theory that selection is acting in favor of more and more resistant
CD4
alleles in ape species harboring SIV endemically (gorillas and chimpanzees), but not in other ape species that lack SIV infections (bonobos and orangutans). Taken together, our results show that SIV has placed intense selective pressure on ape
CD4
, acting to propagate SIV-resistant alleles in chimpanzee and gorilla populations.
2-oxoglutarate triggers assembly of active dodecameric Methanosarcina mazei glutamine synthetase
Authors: Herdering Eva , Reif-Trauttmansdorff Tristan , Kumar Anuj , Habenicht Tim , Hochberg Georg , Bohn Stefan , Schuller Jan , Schmitz Ruth A
Published: May 2024

Glutamine synthetases (GS) are central enzymes essential for the nitrogen metabolism across all domains of life. Consequently, they have been extensively studied for more than half a century. Based on the ATP dependent ammonium assimilation generating glutamine, GS expression and activity are strictly regulated in all organisms. In the methanogenic archaeon
Methanosarcina mazei
, it has been shown that the metabolite 2-oxoglutarate (2-OG) directly induces the GS activity. Besides, modulation of the activity by interaction with small proteins (GlnK
1
and sP26) has been reported. Here, we show that the strong activation of
M. mazei
GS (GlnA
1
) by 2-OG is based on the 2-OG dependent dodecamer assembly of GlnA
1
by using mass photometry (MP) and single particle cryo-electron microscopy (cryo-EM) analysis of purified strep-tagged GlnA
1
. The dodecamer assembly from dimers occurred without any detectable intermediate oligomeric state and was not affected in the presence of GlnK
1
. The 2.39 Å cryo-EM structure of the dodecameric complex in the presence of 12.5 mM 2-OG demonstrated that 2-OG is binding between two monomers. Thereby, 2-OG appears to induce the dodecameric assembly in a cooperative way. Furthermore, the active site is primed by an allosteric interaction cascade caused by 2-OG-binding towards an adaption of an open active state conformation. In the presence of additional glutamine, strong feedback inhibition of GS activity was observed. Since glutamine dependent disassembly of the dodecamer was excluded by MP, feedback inhibition most likely relies on an allosteric binding of glutamine to the catalytic site.Based on our findings, we propose that under nitrogen limitation the induction of
M. mazei
GS into a catalytically active dodecamer is not affected by GlnK
1
and crucially depends on the presence of 2-OG.
Core proteome mediated subtractive approach for the identification of potential therapeutic drug target against the honeybee pathogen Paenibacillus larvae
Authors: Rebhi Sawsen , Basharat Zarrin , Wei Calvin R. , Lebbal Salim , Najjaa Hanen , Sadfi-Zouaoui Najla , Messaoudi Abdelmonaem
Published: May 2024

Background & Objectives

American foulbrood (AFB), caused by the highly virulent, spore-forming bacterium Paenibacillus larvae, poses a significant threat to honey bee brood. The widespread use of antibiotics not only fails to effectively combat the disease but also raises concerns regarding honey safety. The current computational study was attempted to identify a novel therapeutic drug target against P. larvae, a causative agent of American foulbrood disease in honey bee.

Methods

We investigated effective novel drug targets through a comprehensive in silico pan-proteome and hierarchal subtractive sequence analysis. In total, 14 strains of P. larvae genomes were used to identify core genes. Subsequently, the core proteome was systematically narrowed down to a single protein predicted as the potential drug target. Alphafold software was then employed to predict the 3D structure of the potential drug target. Structural docking was carried out between a library of phytochemicals derived from traditional Chinese flora (n > 36,000) and the potential receptor using Autodock tool 1.5.6. Finally, molecular dynamics (MD) simulation study was conducted using GROMACS to assess the stability of the best-docked ligand.

Results

Proteome mining led to the identification of Ketoacyl-ACP synthase III as a highly promising therapeutic target, making it a prime candidate for inhibitor screening. The subsequent virtual screening and MD simulation analyses further affirmed the selection of ZINC95910054 as a potent inhibitor, with the lowest binding energy. This finding presents significant promise in the battle against P. larvae.

Conclusions

Computer aided drug design provides a novel approach for managing American foulbrood in honey bee populations, potentially mitigating its detrimental effects on both bee colonies and the honey industry.
Exogenous application of 5-NGS increased osmotic stress resistance by improving leaf photosynthetic physiology and antioxidant capacity in maize
Authors: Yang Deguang , Gao Zhifeng , Liu Yuqi , Li Qiao , Yang Jingjing , Wang Yanbo , Wang Meiyu , Xie Tenglong , Zhang Meng , Sun Hao
Published: May 2024

Background

Drought is a critical limiting factor affecting the growth and development of spring maize (Zea mays L.) seedlings in northeastern China. Sodium 5-nitroguaiacol (5-NGS) has been found to enhance plant cell metabolism and promote seedling growth, which may increase drought tolerance.

Methods

In the present study, we investigated the response of maize seedlings to foliar application of a 5-NGS solution under osmotic stress induced by polyethylene glycol (PEG-6000). Four treatment groups were established: foliar application of distilled water (CK), foliar application of 5-NGS (NS), osmotic stress + foliar application of distilled water (D), and osmotic stress + foliar application of 5-NGS (DN). Plant characteristics including growth and photosynthetic and antioxidant capacities under the four treatments were evaluated.

Results

The results showed that under osmotic stress, the growth of maize seedlings was inhibited, and both the photosynthetic and antioxidant capacities were weakened. Additionally, there were significant increases in the proline and soluble sugar contents and a decrease in seedling relative water content (RWC). However, applying 5-NGS alleviated the impact of osmotic stress on maize seedling growth parameters, particularly the belowground biomass, with a dry mass change of less than 5% and increased relative water content (RWC). Moreover, treatment with 5-NGS mitigated the inhibition of photosynthesis caused by osmotic stress by restoring the net photosynthetic rate (Pn) through an increase in chlorophyll content, photosynthetic electron transport, and intercellular CO2 concentration (Ci). Furthermore, the activity of antioxidant enzymes in the aboveground parts recovered, resulting in an approximately 25% decrease in both malondialdehyde (MDA) and H2O2. Remarkably, the activity of enzymes in the underground parts exhibited more significant changes, with the contents of MDA and H2O2 decreasing by more than 50%. Finally, 5-NGS stimulated the dual roles of soluble sugars as osmoprotectants and energy sources for metabolism under osmotic stress, and the proline content increased by more than 30%. We found that 5-NGS played a role in the accumulation of photosynthates and the effective distribution of resources in maize seedlings.

Conclusions

Based on these results, we determined that foliar application of 5-NGS may improve osmotic stress tolerance in maize seedlings. This study serves as a valuable reference for increasing maize yield under drought conditions.
OPTICAL FEEDBACK. II DYNAMIC EFFECTS.
Authors: Kuźma Marian , Bałuka Paweł
Published: May 2024

In the present paper the mathematical model, introduced by Crutchfield [1], for video feedback performance is outlined. The two dynamical fractals observed in our video feedback experiment have been described. The first one shows the five-fold symmetry. Its spatial form relates well to the one which was simulated numerically by Andersen [2]. The second one consists of black strips with dislocations and rotates with the velocity of 0.2 1/s-1. The spatial form looks like a modern picture and its spatial time evolution correlates well with Chopin music.
MANAGEMENT OF KALLADAIPPU NOI (UROLITHIASIS) THROUGH SIDDHA MEDICINE: A CASE STUDY
Authors: Kruthiga R. Rushmi
Published: May 2024

In the Siddha System of medicine, Kalladdaipu (Renal stones) comes under Neerinai arukal noigal, which means diseases that reduce urinary output. Kalladdaipu presents with symptoms like burning micturition, renal and low back pain, urinary obstruction, and the presence of sand-like crystals in the urine, and it is compared with the urolithiasis, which refers to the formation of stones in the kidney, ureter, urinary bladder, or urethra. In Siddha medicine, kalladaippu is generally treated with lithotriptic and diuretic formulations. In this case study, a 69-year-old female patient with 6 mm renal calculus was treated with Neermulli kudineer and Nandukal parpam for four weeks, resulting in the renal calculi's complete expulsion. This case study underscores cost-effective Siddha treatment in expelling renal stones, showcasing synergistic actions leading to the disintegration and elimination of urinary stones providing valuable insights for clinicians in Siddha medicine.
A DESCRIPTIVE STUDY TO DEVELOP A TOOL FOR THE CLINICAL EVALUATION OF THE STATUS OF OJAS
Authors: Elamon Amrutha , KN Anandalakshmy
Published: May 2024

Introduction: Developing valid and reliable tools for fundamental concepts is the need of the hour. The present study aims to develop a valid and reliable tool for measuring the status of Ojas. Methodology: In the conceptualisation part of the study, lakshanas of vitiation of Ojas explained by different Acharyas were identified as variables. By operationalisation, these variables were grouped under three domains and items were generated as questions. The study fulfilled all necessary steps of validated tool making, such as wording and sequencing of items, translation, back translation, and pre-testing. A pilot study was done on 30 individuals in 4 groups as per the inclusion criteria. Test-retest reliability was checked along with the pilot study. The tool was administered to 200 subjects in 4 groups as per the inclusion criteria. Face validity, content validity and construct validity of the tool were checked. Validation of the tool was done along with steps of tool development, and reliability was computed using Cronbach’s alpha. Item selection and reduction were carried out with statistical analysis. Results: The tool for clinical evaluation of the status of Ojas developed through this research has 37 items. The tool is reliable, with a Cronbach’s alpha value of 0.963 (N=200). Based on scores, the population was divided into Pravaraojas, Madhyamaojas and Avaraojas. After statistical analysis, the variables were placed under seven subdomains. Discussion: The tool developed for clinical evaluation of the status of Ojas through this study is a validated and reliable tool to measure Ojas.
IMPACT OF DIET AND LIFESTYLE ON AGE OF MENARCHE
Authors: P Apoorwa Pawar , G Sowmya , V Anupama , BV Priyanka , Goud Kiran M.
Published: May 2024

Menarche is a medical term that describes a woman's first menstrual period, marking the onset of menstruation and reproductive maturity. Menarche typically occurs during adolescence, usually between the age of 10 to 16 years. Various factors, including genetics, nutrition, body weight, and overall health, influence the onset of menarche. The impact of diet and lifestyle on the age of menarche in adolescent subjects was studied. A cross-sectional survey design was employed, involving a minimum of 203 subjects in and around Vijayanagar, Bangalore. Subjects were categorized into three groups based on the age at which they attained menarche: Group 1 (before 12 years), Group 2 (between 12-14 years), and Group 3 (above 14 years). Results of this survey showed a varied distribution of age of menarche: 8.0 % below 12 years of age group, 80 % between the age group 12-14, and 12 % above 14 years of age group. The dietary habits and consumption of ksheera (milk), ghrita (ghee), junk foods, caffeine, iron-rich foods, and water intake were examined, and other factors such as menarcheal age and status of agni ( digestive fire), samashana (eating wholesome an unwholesome food together), ajeernashana (eating without the previous meal getting digested), adhyasana (eating excess), guru ahara (heavy food), sheeta ahara ( cold food), virudda aahara (food having opposite potentials), exercise, emotional resilience, co-curricular activities, use of antibiotics, stress relation, exposure to sunlight of the subjects were also evaluated. The survey findings highlight diverse menarcheal ages, suggesting potential links with diet and lifestyle.
EXPLORING THE INTERPLAY OF PRAKRUTI IN PRAMEHA IN THE CONTEXT OF TYPE 2 DIABETES MELLITUS: A RETROSPECTIVE ANALYSIS
Authors: WB Sneha , S Vijayalakshmi , Adiga Manjunatha
Published: May 2024

Introduction: Prakruti is said to be the basic component of a human being. It has been explained in the classics that Prakruti provides susceptibility for certain diseases based on dosha. It is the time of the hour to explore and prove the concept clinically. Prakruti refers to the sum of all physical, physiological and psychological triads. One such disease is Prameha, which is one among santarpajanya vyadhi. Avaranjanya Prameha is caused by the vitiation of Vata by the aggravated dushya. Apathyanimittaja Prameha, sthula Prameha and zvaranjanya Prameha, described in Ayurvedic literature, have similarities with type 2 DM. The syndrome of Diabetes mellitus is mainly covered under the heading of Prameha. However, Diabetes is a chronic disease that occurs either or when the pancreas does not produce enough insulin or when the body cannot effectively use the insulin it makes. This is more prevalent in Kaphaja Prakruti. So, one can take precautions to prevent this, considering Kapha Prakruti as a risk factor. In this study, Kaphaja Prakruti was more prone to type 2 Diabetes Mellitus. Objectives: To assess the relationship between Prakriti and Prameha with particular reference to Type 2 Diabetes Mellitus. Materials and Methods: 100 diagnosed cases of Type 2 DM were evaluated, and a retrospective survey was conducted to assess the Prakruti. Particular importance was given to the predominant rasa consumed. Results: More patients with Kapha Prakruti were found than those with Pitta Prakriti and Vata Prakruti. Conclusion: This survey study was conducted to analyse which Prakruti is prone to developing Prameha and to understand the relationship between Prakruti and Prameha.
ROLE OF MATCHA GREEN TEA IN THE MANAGEMENT OF ORAL SUBMUCOUS FIBROSIS: A REVIEW
Authors: Dahiwade Ayush , Kalaskar Ashita , Parate Amit , Shende Mukund , Kalaskar Ritesh
Published: May 2024

Oral submucous fibrosis (OSMF) is a chronic premalignant condition of the mucosa of the oral cavity characterised by a severe burning sensation and a gradual decrease in mouth opening due to underlying fibrosis. Therapeutic medications available have been useful, but none have shown promising results except for their strong antioxidant potential. This antioxidant activity is incorporated abundantly in the naturally occurring ayurvedic formulation, matcha green tea (MGT). This article aims to provide information about molecular pathways involved in the etiopathogenesis of OSMF and a hypothesis on how these pathways can be affected by matcha green tea, thus the usefulness of MGT in the management of OSMF.
A REVIEW OF MALAHARA KALPANA IN VRANA CHIKITSA
Authors: Anil Parab Susmita , Gharote Archana Prashant
Published: May 2024

In Ayurveda, wounds have been classified under the heading of ‘Vrana’. It is the oldest ailment from which the humankind has suffered. External application medications play a major role in treating wounds and providing relief from symptoms like Daha (Burning sensation), Vedana (Pain), Strava (Discharge) which can cause discomfort to the patient. Hence this article is an attempt to compile Malahara Kalpana used in all types of Vrana (Wounds) mentioned in different Ayurvedic texts. Yogaratnakara mentions two Malahara that are indicated in ‘Vrana’, Siddhayoga Sangraha by Vaidya Yadavji Trikamji Acharya mentions six Malahara Yoga, Ayurvedasara Sangraha mentions three Malahara Yoga, Rasatantrasara va Siddhaprayoga Sangraha in its two parts mentions a total of twenty-two Malahara and Rasatarangini mentions fifteen Malahara used in ‘Vrana Chikitsa’.
ROLE OF INORGANIC PARTICLES FOR THE FORMULATION OF NANOPARTICLES: A REVIEW
Authors: Jain Deshna , Pathak Teena , Kumar Kuldeep
Published: May 2024

Inorganic particles do not have carbon in their backbone and are produced through various geochemical processes, i.e. they are not biological in nature. It is a common practice to use inorganic particles to formulate nanoparticles as their size is near nanoscale dimensions. Various inorganic particles such as silver, gold, silica, alumina and magnetite have been used to fabricate nanoparticles. These nanoparticles are used in different fields, such as magnetic recording, chemical sensing, anti-microbial assays and enzyme immobilization. They have several advantages due to their increased surface area-to-volume ratio, enhancing their reactivity. This review will discuss various inorganic particles used for nanoparticle preparation and their structure, properties, and applications in biomedical engineering. The major applications of formulated nanoparticles are used in biomedicines for drug delivery. They can deliver the drug to the specific site by crossing many biophysical, biochemical and biological barriers.
Vorschlag für die Entwicklung eines praxistauglichen Hauptversammlungsformats in hybrider Form
Authors: Merkner Andreas , Schulenburg Friedrich
Published: May 2024

Nachdem das virtuelle Hauptversammlungsformat nach Auslaufen des COVID-Regimes Einzug in das reguläre Aktienrecht gehalten und in der Hauptversammlungssaison 2023 seinen Praxistest bestanden hat, wird von Seiten der Aktionäre immer wieder die Forderung erhoben, dass sich die Gesellschaften für ein hybrides Modell entscheiden. Die Gesellschaften sind dieser Forderung bislang nicht nachgekommen, da sich die nach aktueller Rechtslage mögliche Präsenzversammlung mit Online-Teilnahme in der Praxis aus verschiedenen Gründen als untaugliches Format erwiesen hat. Vor diesem Hintergrund unternimmt es der vorliegende Beitrag, einen Gesetzesvorschlag für ein - praxistaugliches - Hybrid-Format zu entwickeln, das seinen Ausgangspunkt bei der virtuellen Hauptversammlung nimmt und diese für eine Präsenz ausgewählter Aktionäre vor Ort öffnet.
Überlegungen zum Täterkreis von § 75a Abs. 1 IfSG — Zugleich Besprechung von BGH v. 18.10.2023 – 1 StR 146/23, GesR 2024, 325 (in diesem Heft)
Authors: Krüger Matthias , Sy Yero
Published: May 2024

Im Herbst 2023 meinte der 1. Strafsenat am BGH, dass die vom Infektionsschutzgesetz (IfSG) erfassten Manipulationen an digitalen Impfzertifikaten nicht bloß von bestimmten Tätern als sog. Sonderdelikte begangen werden können, sondern als sog. Allgemeindelikte von jedermann. Wenngleich er sich auf einen Vorläufer von § 75a Abs. 1 IfSG bezog, ist sein Beschluss nicht bloß rechtshistorisch interessant. Vielmehr stellt sich die Frage ebenso für die aktuelle Tatbestandsfassung. Dabei sprechen, um das Ergebnis der Überlegungen vorwegzunehmen, die besseren Gründe dafür, dem Senat zu widersprechen.
Geschäftliche Oberleitung: Mehrere (potentielle) Mittelpunkte dergeschäftlichen Oberleitung gem. § 10 AO
Authors: Puls Michael , Schaffer Max , Steiner Natalie , Ullmann Robert
Published: May 2024

Die Bestimmung des Ortes der Geschäftsleitung gem. § 10 AO, und mithin des Mittelpunktes der geschäftlichen Oberleitung, ist von zentraler Bedeutung für die zutreffende steuerliche Würdigung grenzüberschreitender Sachverhalte. Der vorliegende Beitrag befasst sich mit Fällen mehrerer (potentieller) Mittelpunkte der geschäftlichen Oberleitung.
Streit um gemeinsame Haustiere zwischen getrenntlebenden Ehegatten (zu AG Marburg MDR 2024, 507)
Authors: Paefgen Walter G.
Published: May 2024

In der Regel ist die Trennung eines Paares auch mit der Aufteilung gemeinsamer Anschaffungen verbunden. Dabei spielen die gemeinsamen Haustiere, zu denen meist beide Partner im Laufe der Zeit eine emotionale Bindung entwickelt haben, eine besondere Rolle. Der folgende Beitrag nimmt eine aktuelle Entscheidung des AG Marburg v. 3.11.2023 - 74 F 809/23 WH, MDR 2024, 507 zum Anlass, die rechtlichen Hintergründe und verschiedenen Aspekte, die für die Entscheidung über die vorläufige gerichtliche Zuweisung eines Haustieres, in casu eines Hundes, ausschlaggebend sind, näher zu beleuchten und auf die Möglichkeit der vorsorglichen Regelung des Umgangs mit dem Tier in einer bereits im Vorfeld der Eheschließung getroffenen Vereinbarung einzugehen.
Die Ersatzeinreichung gerichtlicher Schriftsätze nach § 130d Satz 2 ZPO
Authors: Schwenker Hans Christian
Published: May 2024

Seit dem 1.1.2022 besteht für Rechtsanwälte grundsätzlich die in § 130d Satz 1 ZPO normierte Pflicht, vorbereitende Schriftsätze und deren Anlagen sowie schriftlich einzureichende Anträge und Erklärungen als elektronische Dokumente über das besondere elektronische Anwaltspostfach (beA) zu übermitteln. Das Problem, dass es dabei zu technischen Schwierigkeiten kommen kann, hat der Gesetzgeber gesehen und für diese Fälle die Möglichkeit der Ersatzeinreichung nach § 130d Satz 2 ZPO vorgesehen. Der folgende Beitrag gibt einen Überblick über die Anforderungen, die an eine wirksame Ersatzeinreichung zu stellen sind und soll dem Rechtsanwender so den sicheren Umgang mit technischen Störungen bei beA erleichtern.
Thermo‐Switchable Materials Prepared Using the OEGMA‐Platform
Authors: Lutz Jean‐François
Published: April 2011

We describe here the advantages of oligo(ethylene glycol)‐based (co)polymers for preparing thermoresponsive materials as diverse as polymer‐enzyme bio‐hybrids, injectable hydrogels, capsules for drug‐release, modified magnetic particles for in vivo utilization, cell‐culture substrates, antibacterial surfaces, or stationary phases for bioseparation. Oligo(ethylene glycol) methacrylates (OEGMAs) can be (co)polymerized using versatile and widely‐applicable methods of polymerization such as atom transfer radical polymerization (ATRP) of reversible addition‐fragmentation chain‐transfer (RAFT) polymerization. Thus, the molecular structure and therefore the stimuli‐responsive properties of these polymers can be precisely controlled. Moreover, these stimuli‐responsive macromolecules can be easily attached to–or directly grown from–organic, inorganic or biological materials. As a consequence, the OEGMA synthetic platform is today a popular option for materials design. The present research news summaries the progress of the last two years.
The Effect of Hole Transport Material Pore Filling on Photovoltaic Performance in Solid‐State Dye‐Sensitized Solar Cells
Authors: Melas‐Kyriazi John , Ding I‐Kang , Marchioro Arianna , Punzi Angela , Hardin Brian E. , Burkhard George F. , Tétreault Nicolas , Grätzel Michael , Moser Jacques‐E. , McGehee Michael D.
Published: April 2011

A detailed investigation of the effect of hole transport material (HTM) pore filling on the photovoltaic performance of solid‐state dye‐sensitized solar cells (ss‐DSCs) and the specific mechanisms involved is reported. It is demonstrated that the efficiency and photovoltaic characteristics of ss‐DSCs improve with the pore filling fraction (PFF) of the HTM, 2,2’,7,7’‐tetrakis‐(N, N ‐di‐ p ‐methoxyphenylamine)9,9’‐spirobifluorene(spiro‐OMeTAD). The mechanisms through which the improvement of photovoltaic characteristics takes place were studied with transient absorption spectroscopy and transient photovoltage/photocurrent measurements. It is shown that as the spiro‐OMeTAD PFF is increased from 26% to 65%, there is a higher hole injection efficiency from dye cations to spiro‐OMeTAD because more dye molecules are covered with spiro‐OMeTAD, an order‐of‐magnitude slower recombination rate because holes can diffuse further away from the dye/HTM interface, and a 50% higher ambipolar diffusion coefficient due to an improved percolation network. Device simulations predict that if 100% PFF could be achieved for thicker devices, the efficiency of ss‐DSCs using a conventional ruthenium‐dye would increase by 25% beyond its current value.
Validation of a sensitive LC/MS/MS method for the determination of zidovudine and lamivudine in human plasma
Authors: Rower Joseph E. , Klein Brandon , Bushman Lane R. , Anderson Peter L.
Published: April 2011

A sensitive LC/MS/MS assay for determining zidovudine (ZDV) and lamivudine (3TC) in human plasma was validated to support antiretroviral pharmacology research programs. After addition of stable labeled isotopic zidovudine (ZDV‐IS) and lamivudine (3TC‐IS) as internal standard, a solid‐phase extraction was performed with an Oasis HLB 1 cm3 cartridge, with recoveries of 92.3% for ZDV and 93.9% for 3TC. A Phenomonex Synergi Hydro‐RP (2.0 × 150 mm) reversed‐phase analytical column was utilized for chromatographic separation. The mobile phase consisted of an aqueous solution of 15% acetonitrile and 0.1% acetic acid. Detection was accomplished by ESI/MS/MS in the positive ion mode, monitoring 268/127, 271/130, 230/112 and 233/115 transitions, for ZDV, ZDV‐IS, 3TC and 3TC‐IS, respectively. The method was linear from 1 to 3000 ng/mL with a minimum quantifiable limit of 1 ng/mL when 100 μL of plasma was analyzed. Validation results demonstrated high accuracy (≤8.3% deviation) and high precision (≤10% CV) for the quality control samples. The method was also shown to be specific and reproducible. The value of the high sensitivity was demonstrated by quantitation of approximately 100 existing samples that had ZDV below the limit of quantitation using a previously validated, less sensitive HPLC‐UV method utilized in the laboratory. Copyright © 2011 John Wiley & Sons, Ltd.
Metabolomics applied to urine samples in childhood asthma; differentiation between asthma phenotypes and identification of relevant metabolites
Authors: Mattarucchi Elia , Baraldi Eugenio , Guillou Claude
Published: April 2011

Asthma is a heterogeneous disorder and one of the most common chronic childhood diseases. An improved characterization of asthma phenotypes would be invaluable for the understanding of the pathogenic mechanisms and the correct treatment of this disease. The aim of this pilot study was to explore the potential of metabolomics applied to urine samples in characterizing asthma, and to identify the most representative metabolites. Urine samples of 41 atopic asthmatic children (further subdivided in sub‐groups according to the symptoms) and 12 age‐matched controls were analyzed. Untargeted metabolic profiles were collected by LC‐MS, and studied by multivariate analysis. The group of the asthmatics was differentiated by a model that proved to be uncorrelated with the chronic assumption of controller drugs on the part of the patients. The distinct sub‐groups were also appropriately modeled. Further investigations revealed a reduced excretion of urocanic acid, methyl‐imidazoleacetic acid and a metabolite resembling the structure of an Ile–Pro fragment in the asthmatics. The meaning of these findings was discussed and mainly correlated with the modulation of immunity in asthma. Metabolic profiles from urines have revealed the potential to characterize asthma and enabled the identification of metabolites that may have a role in the underlying inflammation. Copyright © 2011 John Wiley & Sons, Ltd.
Phototriggering Electron Flow through ReI‐modified Pseudomonas aeruginosa Azurins
Authors: Blanco‐Rodríguez Ana María , Di Bilio Angel J. , Shih Crystal , Museth Anna Katrine , Clark Ian P. , Towrie Michael , Cannizzo Andrea , Sudhamsu Jawahar , Crane Brian R. , Sýkora Jan , Winkler Jay R. , Gray Harry B. , Záliš Stanislav , Vlček Antonín
Published: April 2011

The [ReI(CO)3(4,7‐dimethyl‐1,10‐phenanthroline)(histidine‐124)(tryptophan‐122)] complex, denoted [ReI(dmp)(W122)], of Pseudomonas aeruginosa azurin behaves as a single photoactive unit that triggers very fast electron transfer (ET) from a distant (2 nm) CuI center in the protein. Analysis of time‐resolved (ps–μs) IR spectroscopic and kinetics data collected on [ReI(dmp)(W122)AzM] (in which M=ZnII, CuII, CuI; Az=azurin) and position‐122 tyrosine (Y), phenylalanine (F), and lysine (K) mutants, together with excited‐state DFT/time‐dependent (TD)DFT calculations and X‐ray structural characterization, reveal the character, energetics, and dynamics of the relevant electronic states of the [ReI(dmp)(W122)] unit and a cascade of photoinduced ET and relaxation steps in the corresponding Re–azurins. Optical population of [ReI(imidazole‐H124)(CO)3]→dmp 1CT states (CT=charge transfer) is followed by around 110 fs intersystem crossing and about 600 ps structural relaxation to a 3CT state. The IR spectrum indicates a mixed ReI(CO)3,A→dmp/π→π*(dmp) character for aromatic amino acids A122 (A=W, Y, F) and ReI(CO)3→dmp metal–ligand charge transfer (MLCT) for [ReI(dmp)(K122)AzCuII]. In a few ns, the 3CT state of [ReI(dmp)(W122)AzM] establishes an equilibrium with the [ReI(dmp.−)(W122.+)AzM] charge‐separated state, 3CS, whereas the 3CT state of the other Y, F, and K122 proteins decays to the ground state. In addition to this main pathway, 3CS is populated by fs‐ and ps‐W(indole)→ReII ET from 1CT and the initially “hot” 3CT states, respectively. The 3CS state undergoes a tens‐of‐ns dmp.−→W122.+ ET recombination leading to the ground state or, in the case of the CuI azurin, a competitively fast (≈30 ns over 1.12 nm) CuI→W.+ ET, to give [ReI(dmp.−)(W122)AzCuII]. The overall photoinduced CuI→Re(dmp) ET through [ReI(dmp)(W122)AzCuI] occurs over a 2 nm distance in <50 ns after excitation, with the intervening fast 3CT–3CS equilibrium being the principal accelerating factor. No reaction was observed for the three Y, F, and K122 analogues. Although the presence of [Re(dmp)(W122)AzCuII] oligomers in solution was documented by mass spectrometry and phosphorescence anisotropy, the kinetics data do not indicate any significant interference from the intermolecular ET steps. The ground‐state dmp–indole π–π interaction together with well‐matched W/W.+ and excited‐state [ReII(CO)3(dmp.−)]/[ReI(CO)3(dmp.−)] potentials that result in very rapid electron interchange and 3CT–3CS energetic proximity, are the main factors responsible for the unique ET behavior of [ReI(dmp)(W122)]‐containing azurins.
Carbon dioxide blanketing impedes the formation of 4‐hydroxynonenal and acrylamide during frying. A novel procedure for HNE quantification
Authors: Aladedunye Felix A. , Matthäus Bertrand , Przybylski Roman
Published: April 2011

Acrylamide and 4‐hydroxynonenal (HNE) are among the most detrimental compounds formed during high temperature processing of food. The effect of carbon dioxide blanketing (CDB) on the formation and accumulation in food of these compounds during deep‐fat frying was investigated. French fries were fried for 7 h daily and for 7 days in canola oil at 185 ± 5°C without and with CO2 protection. The amount of acrylamide and HNE accumulated in the French fries were analyzed. Compared to standard frying conditions (SFC), frying under CDB reduced the amount of HNE by 62%. On the 3rd day of frying, the amount of acrylamide in fries fried under SFC was 3.3 times higher compared to frying with CO2 protection. Frying with carbon dioxide protection is an effective and practical way to impede formation of toxic components during deep‐fat frying. To assess formation of HNE a simple, sensitive and reliable procedure for HNE analysis in frying oils and fried products was developed and evaluated.

Practical applications: The toxicity of HNE and acrylamide, coupled with the increasing consumption of fried foods necessitates that measures be taken to reduce their formation and subsequent accumulation in fried foods. The frying method proposed in this study is very effective and requires only a simple modification to the fryer. Developed rapid and simple procedure for HNE analysis allows more accurate quantification.
Catalyst‐Free Strecker Reaction in Water: A Simple and Efficient Protocol Using Acetone Cyanohydrin as Cyanide Source
Authors: Galletti Paola , Pori Matteo , Giacomini Daria
Published: April 2011

A simple, convenient, and practical method for the synthesis of α‐amino nitriles through a one‐pot, three‐component Strecker reaction of a carbonyl compound, amine, and acetone cyanohydrin in water has been developed. Reactions proceed very efficiently without any catalyst at room temperature with high chemoselectivity and give, in some cases, the expected α‐amino nitrile pure after direct separation from water. The protocol is particularly efficient for both aliphatic and aromatic aldehydes, and cyclic ketones, in combination with primary and secondary amines. An unusual application of the Strecker reaction to 1,2‐diamines to obtain 1,2‐diamino nitriles, and to cyclic secondary amines is reported.
Experimental investigation of chemical oxygen demand and turbidity removal from cardboard paper mill effluents using combined electrocoagulation and adsorption processes
Authors: Bellebia Sohbi , Kacha Smail , Bouyakoub Amel Z. , derriche Zoubir
Published: April 2011

The removal of chemical oxygen demand (COD) and turbidity from cardboard paper mill effluents was experimentally investigated using aluminum and iron electrodes followed by adsorption of treated wastewater on granular activated carbon (GAC). The effects of electrolyse time, current density, initial pH, adsorption time, stirring, and granular activated carbon (GAC) amount were studied. For electrolyses, the maximum removal efficiencies of COD and turbidity under optimal operating conditions i.e. pH = 5.29 for Al electrode and pH = 7.21 for Fe electrode, with a current density of 4.41 mA/cm2 and operating time of 10 min were 75.37% and 99.93% for Al electrode and 78.76% and 99.92% for Fe electrode, respectively. For electrocoagulation (EC) and adsorption process under operating conditions i.e. pH = 3.21 at 300 rpm with contact time of 120 min for Al electrode and 180 min for Fe electrode, the maximum removal efficiencies of COD were 98.97% and 93.37%, respectively. The results obtained show good adsorption efficiency and short contact time obtained after Al‐EC due to interference from color of dissolved iron. The present study proves the effectiveness of electrocoagulation/adsorption process for the highly concentrated organic pollutants present in paper mill effluents. © 2011 American Institute of Chemical Engineers Environ Prog, 2011.
Anterior craniofacial resection for malignant paranasal tumors: A monoinstitutional experience of 366 cases
Authors: Cantu Giulio , Solero Carlo L. , Miceli Rosalba , Mattana Flavia , Riccio Stefano , Colombo Sarah , Pompilio Madia , Lombardo Giuseppe , Formillo Paolo , Quattrone Pasquale
Published: April 2011

Background

The purpose of this study was to evaluate the results of a mono‐institutional series of patients treated with anterior craniofacial resection for malignant paranasal sinus tumors.

Methods

We analyzed all patients with malignant paranasal sinus tumors treated with anterior craniofacial resection at our institution between 1987 and 2007. All tumors were classified according to both the American Joint Committee on Cancer (AJCC)‐2002 and the Istituto Nazionale Tumori (INT) classifications.

Results

The sample included 366 patients. There was intraorbital spread in 108 cases. The skull base was eroded in 127 patients, with dura or brain involvement in 93 patients. The 10‐year disease‐specific survival was 53.1%. Histologic subtype, INT stage, surgical margins, and postsurgical radiotherapy were significant, independent predictors for both local relapse and disease‐specific survival (DSS). The AJCC‐2002 classification was not significant when tested in place of INT stage.

Conclusion

Our data indicated that craniofacial resection and postsurgical radiotherapy remain the primary option for malignant tumors involving the anterior skull base. © 2011 Wiley Periodicals, Inc. Head Neck, 2012
Transoral robotic surgery for oropharyngeal carcinoma and its impact on patient‐reported quality of life and function
Authors: Leonhardt Fernando Danelon , Quon Harry , Abrahão Marcio , O'Malley Bert W. , Weinstein Gregory S.
Published: April 2011

Background

The aim of this study was to assess the quality of life of patients with oropharyngeal squamous cell carcinoma after transoral robotic surgery (TORS).

Methods

Short Form (SF)‐8 and Performance Status Scale (PSS) questionnaires were completed prior to surgery, 6 and 12 months of follow‐up.

Results

In all, 38 patients treated with TORS followed by adjuvant therapy as indicated were prospectively enrolled. For PSS Eating and Diet domains, significant decreases occurred at 6 months (p ≤ .001 and p ≤ .001, respectively) but not at 12 months. Significant declines in PSS Speech were seen at 6 and 12 months (p ≤ .001 and p ≤ .001). There were no significant declines in the SF‐8 domains, except for Bodily Pain and Global Health (6 months). Significantly higher PSS Eating and Diet scores were seen at 6 months for TORS alone compared with TORS and chemoradiation.

Conclusions

Combination TORS and adjuvant therapy caused a temporary decrease in several domains at 6 months, returning to baseline including swallowing function in all patients. © 2011 Wiley Periodicals, Inc. Head Neck, 2012
Effect of intraoral low‐level laser therapy on quality of life of patients with head and neck cancer undergoing radiotherapy
Authors: Oton‐Leite Angélica Ferreira , Corrêa de Castro Annelise Carrilho , Morais Marília Oliveira , Pinezi Juliana Castro Dourado , Leles Cláudio Rodrigues , Mendonça Elismauro Francisco
Published: April 2011

Background

Low‐level laser therapy has been used to reduce complications of head and neck cancer treatment. The aim was to assess the impact of laser in the quality of life (QOL) of patients receiving radiotherapy.

Methods

Sixty outpatients were randomly assigned into 2 groups. The laser group received applications and the placebo group received sham laser. QOL was assessed using the University of Washington QOL questionnaire. A repeated‐measures analysis of variance (ANOVA) was used for comparisons of overall QOL scores and Mann–Whitney test compared changes in domain scores.

Results

A decrease in QOL scores was observed in both groups and the reduction in the laser group was significantly lower (p < .01). Changes in QOL scores regarding pain, chewing, and saliva domains were evident in the placebo group. Both health‐related QOL and overall QOL were rated higher by patients who received laser therapy.

Conclusion

Laser therapy reduces the impact of radiotherapy on the QOL of patients with head and neck cancer. © 2011 Wiley Periodicals, Inc. Head Neck, 2012
Identification of the peripheral blood levels of interleukin‐12, interleukin‐10, and transforming growth factor‐β in patients with laryngeal squamous cell carcinoma
Authors: Günaydın Rıza Önder , Kesikli Sacit Altuğ , Kansu Emin , Hoşal Ali Şefik
Published: April 2011

Background

The aim of this study was to investigate the biology of laryngeal squamous cell carcinoma (SCC) to develop effective novel treatment modalities.

Methods

Serum concentrations of interleukin (IL)‐10, IL‐12, and transforming growth factor‐β (TGF‐β) were evaluated in 50 patients with laryngeal SCC and 15 controls. Results were compared according to tumor‐node‐metastasis (TNM) classification criteria.

Results

IL‐12 and TGF‐β levels were not different between the early‐ and late‐stage patients and controls. Tumor classification or nodal involvement was not associated with IL‐12 and TGF‐β levels. Patients with laryngeal SCC had significantly more detectable serum IL‐10 levels than those of controls, given that IL‐10 could be detected in only 1 early‐stage and 9 late‐stage patients, but not in the control group (p = .003). IL‐10 was increasingly detectable with advanced T classification (p = .009) and nodal involvement (p = .008).

Conclusions

Serum IL‐12 or TGF‐β levels were not affected with disease activity and classification; however, serum IL‐10 levels were correlated with both parameters. © 2011 Wiley Periodicals, Inc. Head Neck, 2012
Trends of persistent organic pollutants in the suspended matter of the River Rhine
Authors: Pohlert Thorsten , Hillebrand Gudrun , Breitung Vera
Published: April 2011

Recently amended European (EU) water policies call for an adequate monitoring of the chemical status of sediments and suspended matter (SM) in rivers. In this study, we focus on long‐term time series of particle‐bound hexachlorobenzene (HCB) and selected polychlorinated biphenyls (PCB‐138 and PCB‐153) that were monitored biweekly to monthly at eight stations in the River Rhine catchment. Our aims are (1) to detect trends in the concentration series HCB, PCB‐138 and PCB‐153, (2) to estimate the uncertainty of loads caused by SM collection techniques and load calculation procedures and (3) to detect trends in the subsequently calculated annual load series.

HCB concentration in the SM for the period 1995–2008 significantly (p < 0·01) decreased at six of the eight monitoring stations. Decreasing PCB‐138 and PCB‐153 concentrations are significant at six of the eight and seven of the eight monitoring stations, respectively.

A two‐way analysis of variance (ANOVA) that tested the effect of two collection techniques and four load calculation procedures on annual loads indicates homogeneity of the methods at four of the five monitoring stations. At Weil, only the loads of HCB, PCB‐138 and PCB‐153 are significantly affected by the collection technique.

The trend analysis of an extended series (1985–2007) of annual HCB loads at Koblenz showed a significant decrease from about 110 kg year−1 to about 15–23 kg year−1; however, in the shorter period (1995–2007) only at two of the eight monitoring stations decreasing trends of annual contaminant load could be detected.

We conclude that any of the tested load calculation procedures can be applied, as loads do no differ systematically. Although a high uncertainty in load estimation exists (e.g. maximum percentage error of E = [18·1, 122·5]% for HCB), the monitoring programme at the Rhine is adequate for analysing the long‐term chemical status of SM. Copyright © 2011 John Wiley & Sons, Ltd.
Excessive activity of apolipoprotein B mRNA editing enzyme catalytic polypeptide 2 (APOBEC2) contributes to liver and lung tumorigenesis
Authors: Okuyama Shunsuke , Marusawa Hiroyuki , Matsumoto Tomonori , Ueda Yoshihide , Matsumoto Yuko , Endo Yoko , Takai Atsushi , Chiba Tsutomu
Published: April 2011

Apolipoprotein B mRNA editing enzyme catalytic polypeptide 2 (APOBEC2) was originally identified as a member of the cytidine deaminase family with putative nucleotide editing activity. To clarify the physiologic and pathologic roles, and the target nucleotide of APOBEC2, we established an APOBEC2 transgenic mouse model and investigated whether APOBEC2 expression causes nucleotide alterations in host DNA or RNA sequences. Sequence analyses revealed that constitutive expression of APOBEC2 in the liver resulted in significantly high frequencies of nucleotide alterations in the transcripts of eukaryotic translation initiation factor 4 gamma 2 (Eif4g2) and phosphatase and tensin homolog (PTEN) genes. Hepatocellular carcinoma developed in 2 of 20 APOBEC2 transgenic mice at 72 weeks of age. In addition, constitutive APOBEC2 expression caused lung tumors in 7 of 20 transgenic mice analyzed. Together with the fact that the proinflammatory cytokine tumor necrosis factor‐α induces ectopic expression of APOBEC2 in hepatocytes, our findings indicate that aberrant APOBEC2 expression causes nucleotide alterations in the transcripts of the specific target gene and could be involved in the development of human hepatocellular carcinoma through hepatic inflammation.