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Introduction: Critically ill patients and their families benefit from spiritual care. There is limited evidence on how spiritual care is delivered in intensive care units (ICUs)., Aim: The objective of this review was to determine how nurses include spiritual care for patients and families in ICUs., Methodology: A scoping review was conducted following the Joanna Briggs Institute methodology guidelines, with results reported using the PRISMA-ScR guidelines from March to April 2023. PubMed, Scopus by Elsevier, Web of Science (WOS), and the Ebsco search engine were consulted, including databases such as Medline Complete, Cinhal, and Academic Search Ultimate using the keywords: Nursing care, ICU, spirituality. Articles with qualitative and quantitative approaches of any design describing spirituality in nursing care for patients or families in ICUs were included, excluding editorials and letters to the editor. The time frame ranged from 2015 to 2023, with no language restrictions., Results: A total of 316 articles were retrieved, after removing duplicates and applying inclusion criteria with critical reading, 11 studies were included, 6 with a quantitative approach and 5 with a qualitative approach. Conditions for spiritual care are described highlighting the need for physical space and nurse-related conditions such as motivation and empathy. Personal, organizational, and team-related barriers to spiritual care exist. Facilitators for spiritual care are described such as preparation, communication, and the presence of chaplains., Conclusions: Nurses in ICUs have various ways to provide spiritual care to patients and families. These must be developed considering barriers such as physical space, personal, organizational, and team-related challenges., Competing Interests: Declaration of competing interest The authors have no conflict of interest to declare., (Copyright © 2025 Sociedad Española de Enfermería Intensiva y Unidades Coronarias (SEEIUC). Published by Elsevier España S.L.U. All rights reserved.)

Introduction: Interprofessional education in health professions was developed to address the challenges of teamwork in health-related issues as realistically as possible. Based on the available evidence, a comprehensive perspective is necessary to learn from experience., Objective: To examine the challenges associated with the implementation of interprofessional education based on clinical simulation for students in health science programs., Methodology: A scoping review was conducted following the Joanna Briggs Institute methodology guidelines, with results reported using the PRISMA-ScR guidelines, between September and November 2023. Databases such as PUBMED, ScienceDirect, Scopus, and Research Rabbit were consulted, using the keywords: "Interprofessional Education by Simulation," "Clinical Simulation in Interprofessional Education," and "Interprofessional Simulation and Implementation." Articles with qualitative, quantitative, and mixed methods approaches of any design that described the implementation of interprofessional education based on clinical simulation in health science programs were included. The time frame spanned from 2015 to 2023, and articles were selected in English, Spanish, French, or Portuguese., Results: A total of 409 articles were retrieved; after removing duplicates and applying inclusion criteria with critical reading, 23 studies were included: 10 with a quantitative approach, 11 with a qualitative approach, and 2 with a mixed methods approach. Four key challenges in the implementation of SIM-IPE were highlighted. These challenges included logistical aspects, the importance of faculty training, issues with understanding the roles of other health disciplines, and obstacles in program coordination. Achieving successful implementation involved efficiently managing resources, overcoming curricular and technical obstacles, preparing for interprofessional reflection sessions, and addressing logistical and planning challenges through collaboration between academic programs., Conclusions: Four fundamental challenges were identified and analyzed, with a particular focus on logistical aspects, faculty training, interprofessional understanding, and program coordination., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Two symbiotic processes, nodulation and arbuscular mycorrhiza, are primarily controlled by the plant's need for nitrogen (N) and phosphorus (P), respectively. Autoregulation of nodulation (AON) and autoregulation of mycorrhizal symbiosis (AOM) both negatively regulate their respective processes and share multiple components-plants that make too many nodules usually have higher arbuscular mycorrhiza (AM) fungal root colonization. The protein TML (TOO MUCH LOVE) was shown to function in roots to maintain susceptibly to rhizobial infection under low N conditions and control nodule number through AON in Lotus japonicus . Medicago truncatula has two sequence homologs: Mt TML1 and Mt TML2. We report the generation of stable single and double mutants harboring multiple allelic variations in MtTML1 and MtTML2 using CRISPR-Cas9 targeted mutagenesis and screening of a transposon mutagenesis library. Plants containing single mutations in Mt TML1 or Mt TML2 produced two to three times the nodules of wild-type plants, whereas plants containing mutations in both genes displayed a synergistic effect, forming 20× more nodules compared to wild-type plants. Examination of expression and heterozygote effects suggests that genetic compensation may play a role in the observed synergy. Plants with mutations in both TML s only showed mild increases in AM fungal root colonization at later timepoints in our experiments, suggesting that these genes may also play a minor role in AM symbiosis regulation. The mutants created will be useful tools to dissect the mechanism of synergistic action of Mt TML1 and Mt TML2 in M. truncatula symbiosis with beneficial microbes., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Chaulagain, Schnabel, Kappes, Lin, Müller and Frugoli.)

Background: Second victim is the name given to the healthcare personnel-most often a nursing professional-involved with the error that led to the adverse event to a patient and who, as a result, have experienced negative psychological effects. Research with second victims has increased over the years, however concerns exist with regards to the ethical risks imposed upon these individuals., Aim: To explore the extent to which research with second victims of adverse events in healthcare settings adhere to ethical requirements., Methods: A scoping review was conducted following Arksey and O'Malley's methodological framework and using the following databases: PUBMED, Web of Science, and SCOPUS. Original research of any study design focused on second victims and published in English, Spanish, or Portuguese in 2014-2023 were included. A critical narrative approach was used to discuss the findings., Ethical Considerations: The review followed ethical guidelines emphasizing accurate authorship attribution and truthful data reporting., Results: Fifteen studies using qualitative ( n = 2), quantitative ( n = 10), and mixed-method ( n = 3) designs were included. Over half were not assessed by a research ethics committee, with questionable reasons given by the authors. One-third did not refer to having used an informed consent. In two studies, participants were recruited by their workplace superiors, which could potentially right to autonomy and voluntary participation., Conclusion: Over half of the included studies with second victims did not comply with fundamental ethical aspects, with risk to inflict respect for individual autonomy, confidentiality, and of not causing any harm to participants., Implications for Nursing Research: Healthcare personnel involved in adverse events are most often nursing professionals; therefore, any breach of ethics in research with this population is likely to directly affect their rights as research participants. We provide recommendations to promote better research practices with second victims towards safeguarding their rights as research participants., Competing Interests: Declaration of conflicting interestsThe author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

The charging behavior of molecular Au clusters protected by alkanethiolate (SC n H 2n+1 =SCn) is, under electrochemical conditions, significantly affected by the penetration of solvents and electrolytes into the SCn layer. In this study, we estimated the charging energy E C (n) associated with [PtAu 24 (SCn) 18 ] - +e - →[PtAu 24 (SCn) 18 ] 2- (n=4, 8, 12, and 16) in vacuum using mass-selected gas-phase anion photoelectron spectroscopy of [PtAu 24 (SCn) 18 ] z (z=-1 and -2). The E C (n) values of PtAu 24 (SCn) 18 in vacuum are significantly larger than those in solution and decrease with n in contrast to the behavior reported for Au 25 (SCn) 18 in solution. The effective relative permittivity (ϵ m *) of the SCn layer in vacuum is estimated to be 2.3-2.0 based on the double-concentric-capacitor model. Much smaller ϵ m * values in vacuum than those in solution are explained by the absence of solvent/electrolyte penetration into the monolayer. The gradual decrease of ϵ m * with n is ascribed to the appearance of an exposed surface region due to the bundle formation of long alkyl chains., (© 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.)

Aim: This study aims to explore the "second victim" phenomenon in healthcare professions students following an adverse event., Background: In healthcare settings, adverse events affect not only patients but also the involved healthcare personnel, who experience a wide range of physical and psychological responses, a situation known as the second victim phenomenon. This phenomenon also extends to students in health-related professions during their clinical training, yet there needs to be more research specifically addressing this group., Design: A scoping review METHODS: This scoping review was guided by Arksey and O'Malley's methodological framework. In December 2023, we conducted a comprehensive database search in PubMed, the Cumulative Index of Nursing and Allied Health Literature (CINAHL) Complete, Web of Science (WoS), Scopus and the Virtual Health Library (VHL). The review included original research studies of any design that focused on the second victim phenomenon among students, published in English, Spanish, German or Portuguese, with no restrictions on the publication date. The review was reported according to PRISMA-ScR guidelines., Results: Seven studies were selected, primarily involving nursing and medical students. Common triggers of the second victim phenomenon in students were medication errors, patient falls and procedural errors. Described symptoms ranged from emotional distress, such as stress and hypervigilance, to physical symptoms, like sleep disturbances. Among the factors that influenced how this "second victim" phenomenon manifested in students were the reactions of their peers and the lack of support from supervisors. Contrary to the three possible outcomes described for professionals as second victims (surviving, thriving, or leaving), students are only described with two: giving up or moving on., Conclusion: The studies highlighted the crucial role of peer and supervisor support in managing such difficult situations. The results suggest that additional research is necessary in other healthcare disciplines. Educational and healthcare institutions should improve their preventive and management strategies to address the phenomenon's impact on students., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

A qualitative study that provides evidence of the institutional support required by intensive care unit (ICU) nurses as second victims of adverse events (AEs)., Background: The phenomenon of second victims of AE in healthcare professionals can seriously impact professional confidence and contribute to the ongoing occurrence of AEs in hospitals., Objectives: The objective of this study was to describe the coping trajectories of second victims among nurses working in ICUs in public hospitals in Chile., Methods: Conducting qualitative research through the grounded theory method, this study focused on high-complexity hospitals in Chile, using theoretical sampling. The participants consisted of 11 nurses working in ICUs. Techniques used included in-depth interviews conducted between March and May 2023, as well as a focus group interview. Analysis, following the grounded theory approach proposed by Strauss and Corbin, involved constant comparison of data. Open, axial, and selective coding were applied until theoretical data saturation was achieved. The study adhered to reliability and authenticity criteria, incorporating a reflexive process throughout the research. Ethical approval was obtained from the ethics committee, and the study adhered to the consolidated criteria for reporting qualitative research., Results: From the interviews, 29 codes were identified, forming six categories: perception of support when facing an AE, perception of helplessness when facing an AE, initiators of AE, responses when facing an AE, professional responsibility, and perception of AE. The perception of support when facing an AE emerged as the main category, determining whether the outcome was stagnation or overcoming of the phenomenon after the AE., Conclusions: For the coping process of ICU nurses following an AE, the most crucial factor is the support from colleagues and supervisors., (Copyright © 2024 Australian College of Critical Care Nurses Ltd. Published by Elsevier Ltd. All rights reserved.)

Image segmentation is commonly used to estimate the location and shape of plants and their external structures. Segmentation masks are then used to localize landmarks of interest and compute other geometric features that correspond to the plant's phenotype. Despite its prevalence, segmentation-based approaches are laborious (requiring extensive annotation to train) and error-prone (derived geometric features are sensitive to instance mask integrity). Here, we present a segmentation-free approach that leverages deep learning-based landmark detection and grouping, also known as pose estimation. We use a tool originally developed for animal motion capture called SLEAP (Social LEAP Estimates Animal Poses) to automate the detection of distinct morphological landmarks on plant roots. Using a gel cylinder imaging system across multiple species, we show that our approach can reliably and efficiently recover root system topology at high accuracy, few annotated samples, and faster speed than segmentation-based approaches. In order to make use of this landmark-based representation for root phenotyping, we developed a Python library ( sleap-roots ) for trait extraction directly comparable to existing segmentation-based analysis software. We show that pose-derived root traits are highly accurate and can be used for common downstream tasks including genotype classification and unsupervised trait mapping. Altogether, this work establishes the validity and advantages of pose estimation-based plant phenotyping. To facilitate adoption of this easy-to-use tool and to encourage further development, we make sleap-roots , all training data, models, and trait extraction code available at: https://github.com/talmolab/sleap-roots and https://osf.io/k7j9g/., (Copyright © 2024 Elizabeth M. Berringan et al.)

Subnanometer clusters with precise atom numbers hold immense potential for applications in catalysis, as single atoms can significantly impact catalytic properties. Typically, inorganic clusters are produced using batch processes with high dilutions, making the scale-up of these processes time-consuming and its reproducibility challenging. While continuous-flow systems have been employed for organic synthesis and, more recently, nanoparticle preparation, these approaches have only rarely been applied to cluster synthesis. In a flexible, continuous flow synthesis platform, we integrate multiple continuous stirred tank reactors (CSTR) into a cascade to synthesize clusters with a precise number of atoms, demonstrating the potential of this approach for atom precise cluster synthesis and expanding the application of continuous-flow systems beyond organic synthesis., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Image segmentation is commonly used to estimate the location and shape of plants and their external structures. Segmentation masks are then used to localize landmarks of interest and compute other geometric features that correspond to the plant's phenotype. Despite its prevalence, segmentation-based approaches are laborious (requiring extensive annotation to train), and error-prone (derived geometric features are sensitive to instance mask integrity). Here we present a segmentation-free approach which leverages deep learning-based landmark detection and grouping, also known as pose estimation. We use a tool originally developed for animal motion capture called SLEAP (Social LEAP Estimates Animal Poses) to automate the detection of distinct morphological landmarks on plant roots. Using a gel cylinder imaging system across multiple species, we show that our approach can reliably and efficiently recover root system topology at high accuracy, few annotated samples, and faster speed than segmentation-based approaches. In order to make use of this landmark-based representation for root phenotyping, we developed a Python library ( sleap-roots ) for trait extraction directly comparable to existing segmentation-based analysis software. We show that landmark-derived root traits are highly accurate and can be used for common downstream tasks including genotype classification and unsupervised trait mapping. Altogether, this work establishes the validity and advantages of pose estimation-based plant phenotyping. To facilitate adoption of this easy-to-use tool and to encourage further development, we make sleap-roots , all training data, models, and trait extraction code available at: https://github.com/talmolab/sleap-roots and https://osf.io/k7j9g/., Competing Interests: Competing interests: W.B. is a co-founder of Cquesta, a company that works on crop root growth and carbon sequestration.

Background: Health professionals can be 'second victims' of adverse patient events. Second victimhood involves a series of physical and psychological signs and symptoms of varying severity and is most prevalent among nurses and women and in intensive care units (ICUs). Previous research has described personal and organizational coping strategies., Aim: The objective of this research is to determine the prevalence of second victimhood, focusing on psychological distress, among Chilean adult intensive care nurses and its relationship with the support provided by their organizations., Study Design: A descriptive, correlational and cross-sectional study was conducted in seven intensive care units of Chilean hospitals., Results: Of a sample of 326 nurses, 90.18% reported having been involved in an adverse event and 67% reported psychological distress resulting from the adverse event. Embarrassment was the most prevalent psychological symptom (69%). Only 2.8% reported that their organization had an action plan for professionals in the event of a serious adverse event. Participants who had spent longer working in an ICU reported more support from their organization around adverse events., Conclusion: Two-thirds of Chilean adult intensive care unit nurses report psychological stress following an adverse event. These results should be assessed internationally because second victims have major implications for the well-being of health professionals and, therefore, for retention and the quality of care., Relevance to Clinical Practice: Critical care leaders must actively promote a safe environment for learning from adverse events, and hospitals must establish a culture of quality that includes support programmes for second victims., (© 2023 The Authors. Nursing in Critical Care published by John Wiley & Sons Ltd on behalf of British Association of Critical Care Nurses.)

Background: Diabetic retinopathy (DR) is an important cause of decreased visual acuity, whose prevalence has increased between 1990 and 2020. In Chile the prevalence of diabetic retinopathy was estimated at 24.8%., Aim: To assess the prevalence of DR in a southern Chilean city., Material and Methods: From a database of diabetic patients attending primary health care centers at Puerto Montt, Chile, 196 patients with DR and 392 patients without DR, matched by age and presence of chronic complications, were chosen for this case-control study., Results: The prevalence of DR in the database of diabetic patients was 33.3%. glycated hemoglobin, the frequency insulin use, systolic blood pressure, HDL cholesterol, microalbuminuria, and proteinuria were significantly worse in cases. A multivariate analysis showed that retinopathy is much more likely to occur when the variables insulin use, neuropathy, and microalbuminuria concur., Conclusions: DR was associated with worse metabolic parameters and the presence of neuropathy in this case control study.

Background: Hypertension is a public health concern for many countries. The World Health Organization has established a global objective to reduce the prevalence of non-communicable diseases, including hypertension, which is associated with cardiovascular disease. Remote nursing interventions can potentially lessen the burden on the healthcare system and promote a healthier population. This systematic review aims to synthesize available evidence on the effectiveness of nursing-led telehealth interventions in reducing blood pressure in hypertensive patients., Methods: A systematic review was conducted. The search was performed from May to June 2021, in the databases: PubMed, Scopus, Cochrane Library, Web of Science, CINAHL, and ProQuest within 2010-2021 in English, Spanish and Portuguese. Randomized controlled trials and Quasi-experimental studies were considered. This systematic review followed the criteria of the Cochrane Handbook for Systematic Reviews of Interventions, with the support of the PRISMA guidelines and registered in PROSPERO. For critical analysis, the tools of the Joanna Briggs Institute were used., Results: Of the 942 articles found, six controlled clinical trials and one quasi-experimental study were selected. Different nurse-led interventions (telehealth devices, remote video consultation, calls and email alerts) have demonstrated a significant decrease in blood pressure (especially systolic blood pressure) in the intervention groups. Nurse-led interventions also effect hypertension awareness, self-efficacy, and self-control. Positive effects on lowering cholesterol, consumption of fruits and vegetables, physical activity and adherence to medication were also described., Conclusion: Nurse-led interventions delivered remotely have a positive effect in lowering the blood pressure of patients with hypertension. Further research is required to support strategies that will deliver the best continuous, quality, and cost-effective nursing care., (© 2023. The Author(s).)

Objectives: To explore nursing health education interventions for non-communicable disease patients. Methods: The design was a systematic review of research work published between 2008 and 2018. The data sources included the Web of Science, PubMed, Scopus, COCHRANE, and LILACS. The studies that met the inclusion were assessed, and the analysis for methodological quality through the recommended tools CASPe, and JADAD. Results: Fifteen original studies from eight counties were included in the review; Findings revealed 13 studies with randomized samples and six used power analysis. Nurses' interventions included house calls, home care, and individual and group health education. Conclusion: Nursing interventions showed 76.4% the effectiveness of results in patient outcomes to promote and improve healthier lifestyles and quality of life of non-communicable disease patients. This review discloses the significant impact of nursing health education interventions. Nursing leadership and political decision-makers should consider providing programs to enhance health education knowledge and abilities. All of this can favor the sustainability of the global economy by changing the life style of thousands of people worldwide. Systematic Review Registration: https://www.crd.york.ac.uk/prospero/, identifier CRD42020208809., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Gomez del Pulgar, Cuevas-Budhart, Hernández-Iglesias, Kappes, Riquelme Contreras, Rodriguez-Lopez, De Almeida Souza, Gonzalez Jurado and Crespo Cañizares.)

Lanthanide-dependent enzymes and their biomimetic complexes have arisen as an interesting target of research in the past decade. These enzymes, specifically, pyrroloquinoline quinone (PQQ)-bearing methanol dehydrogenases, efficiently convert alcohols to the respective aldehydes. To rationally design bioinspired alcohol dehydrogenation catalysts, it is imperative to understand the species involved in catalysis. However, given the extremely flexible coordination sphere of lanthanides, it is often difficult to assess the number and nature of the active species. Here, we show how such questions can be addressed by using a combination of ion mobility spectrometry, mass spectrometry, and quantum-chemical calculations to study the test systems PQQ and lanthanide-PQQ-crown ether ligand complexes. Specifically, we determine the gas-phase structures of [PQQH 2 ] - , [PQQH 2 +H 2 O] - , [PQQH 2 +MeOH] - , [PQQ-15c5+H] + , and [PQQ-15c5+Ln+NO 3 ] 2+ (Ln = La to Lu, except Pm). In the latter case, a trend to smaller collision cross sections across the lanthanide series is clearly observable, in line with the well-known lanthanide contraction. We hope that in the future such investigations will help to guide the design and understanding of lanthanide-based biomimetic complexes optimized for catalytic function.

Aim: To analyze personal and organizational strategies described in the literature for dealing with the second victim phenomenon among healthcare providers., Background: The second victim phenomenon involves many associated signs and symptoms, which can be physical, psychological, emotional, or behavioral. Personal and organizational strategies have been developed to deal with this phenomenon., Materials and Methods: A systematic review was carried out in PubMed, Cochrane Library, Web of Science, Scopus, PsycINFO, Science Direct, and Cumulative Index to Nursing and Allied Health Literature databases, searching for evidence published between 2010 and 2019 in Spanish, English, German, and Portuguese., Results: Seven hundred and eighty-three articles were identified. After eliminating duplicates, applying inclusion and exclusion criteria and critical analysis tools of the Joanna Briggs Institute, 16 research articles were included: 10 quantitative studies (design: descriptive, correlational, systematic, or integrative review) and six qualitative studies (descriptive, systematic review). There are several different personal and organizational strategies for dealing with the second victim phenomenon. Among these, peer support and learning from adverse events are highly valued. In personal strategies stands out the internal analysis of the adverse event that the professional performs to deal with the generated negative feelings. In organizational strategies, the most valued are second victim support programs with rapid response teams and made up of peers., Conclusions: The main organizational coping strategies for tackling this phenomenon are online programs in countries such as the United States, Spain, and other European countries. Formal evaluation of these programs and research is required in Latin America., Implications for Nursing and Health Policies: Adequately coping with the second victim phenomenon allows health professionals and organizations to learn from adverse events. Furthermore, by supporting health professionals who suffer from the second victim phenomenon, the organization takes care of its most valuable resource, its human capital. This contributes toward building a culture of healthcare quality in organizations, which will reduce adverse events in the future., (© 2021 The Authors. International Nursing Review published by John Wiley & Sons Ltd on behalf of International Council of Nurses.)

The crown-ether coordination compounds Zn X 2 (18-crown-6), Eu X 2 (18-crown-6) ( X : Cl, Br, I), MnI 2 (18-crown-6), Mn 3 Cl 6 (18-crown-6) 2 , Mn 3 I 6 (18-crown-6) 2 , and Mn 2 I 4 (18-crown-6) are obtained by ionic-liquid-based synthesis. Whereas MX 2 (18-crown-6) ( M : Zn, Eu) show conventional structural motives, Mn 3 Cl 6 (18-crown-6) 2 , Mn 3 I 6 (18-crown-6) 2 , and Mn 2 I 4 (18-crown-6) exhibit unusual single Mn X 4 tetrahedra coordinated to the crown-ether complex. Surprisingly, some compounds show outstanding photoluminescence. Thus, rare Zn 2+ -based luminescence is observed and unexpectedly efficient for ZnI 2 (18-crown-6) with a quantum yield of 54%. Unprecedented quantum yields are also observed for Mn 3 I 6 (18-crown-6) 2 , EuBr 2 (18-crown-6), and EuI 2 (18-crown-6) with values of 98, 72, and 82%, respectively, which can be rationalized based on the specific structural features. Most remarkable, however, is Mn 2 I 4 (18-crown-6). Its specific structural features with finite sensitizer-activator couples result in an extremely strong emission with an outstanding quantum yield of 100%. Consistent with its structural features, moreover, anisotropic angle-dependent emission under polarized light and nonlinear optical (NLO) effects occur, including second-harmonic generation (SHG). The title compounds and their optical properties are characterized by single-crystal structure analysis, X-ray powder diffraction, chemical analysis, density functional theory (DFT) calculations, and advanced spectroscopic methods.

Two-dimensional (2D) layered hybrid bromoplumbate perovskites are promising candidates for solution-processed light-emitting materials. Here, we report the synthesis and characterization of two novel layered bromoplumbates: (4BrPhMA) 2 PbBr 4 ( 1 ) and (4BrPhA) 6 Pb 3 Br 12 ( 2 ), where 4BrPhMA is (4-bromophenyl)methylammonium and 4BrPhA is (4-bromophenyl) ammonium. Despite similar optical absorption, these materials show remarkably different photoluminescence properties: 1 emits a narrow exciton band at ca. 395 nm with a very small bandwidth (particularly at low temperatures of 15-50 K) and Stokes shift, while 2 exhibits a broad emission at ca. 560 nm with a large Stokes shift, both at low and ambient temperatures. However, under several kbar of hydrostatic pressure, the broad emission diminishes and a new band reversibly develops at ca. 395 nm, similar to that in 1 . Our results emphasize organic layer flexibility as an important design factor for this class of perovskite-like materials featuring broadband emission.

Smart Meters provide detailed energy consumption data and rich contextual information that can be utilized to assist electricity providers and consumers in understanding and managing energy use. The detection of human activity in residential households is a valuable extension for applications, such as home automation, demand side management, or non-intrusive load monitoring, but it usually requires the installation of dedicated sensors. In this paper, we propose and evaluate two new metrics, namely the sliding window entropy and the interval entropy, inspired by Shannon's entropy in order to obtain information regarding human activity from smart meter readings. We emphasise on the application of the entropy and analyse the effect of input parameters, in order to lay the foundation for future work. We compare our method to other methods, including the Page-Hinkley test and geometric moving average, which have been used for occupancy detection on the same dataset by other authors. Our experimental results, using the power measurements of the publicly available ECO dataset, indicate that the accuracy and area under the curve of our method can keep up with other well-known statistical methods, stressing the practical relevance of our approach.

This work presents a new approach to prepare mono- and disubstituted linear rigid bimetallic [2.2]paracyclophane-porphyrin conjugates via palladium-mediated Stille cross-coupling reaction. The metalated porphyrin moiety can be varied allowing convenient access to modular metal-metal fixed-distance Cu/Zn complexes., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Stricter regulatory requirements concerning end-of-life vehicles and rising disposal costs necessitate new ways for automobile shredder residue utilisation. The shredder granulate and fibres, produced by the VW-SICON-Process, have a high energy content of more than 20 MJ kg -1 , which makes energy recovery an interesting possibility. Shredder fibres have a low bulk density of 60 kg m -3 , which prevents efficient storing and utilisation as a refuse-derived fuel. By mixing fibres with plastic-rich shredder granulate and heating the mixture, defined granules can be produced. With this 'ReGran' process, the bulk density can be enhanced by a factor of seven by embedding shredder fibres in the partially melted plastic mass. A minimum of 26-33 wt% granulate is necessary to create enough melted plastic. The process temperature should be between 240 °C and 250 °C to assure fast melting while preventing extensive outgassing. A rotational frequency of the mixing tool of 1000 r min -1 during heating and mixing ensures a homogenous composition of the granules. During cooling, lower rotational frequencies generate bigger granules with particles sizes of up to 60 mm at 300 r min -1 . To keep outgassing to a minimum, it is suggested to melt shredder granulate first and then add shredder fibres. Adding coal, wood or tyre fluff as a third component reduces chlorine levels to less than 1 wt%. The best results can be achieved with tyre fluff. In combination with the VW-SICON-Process, ReGran produces a solid recovered fuel or 'design fuel' tailored to the requirements of specific thermal processes.

We have combined ion mobility mass spectrometry with quantum chemical calculations to investigate the gas-phase structures of multiply negatively charged oligomers of meso-tetra(4-sulfonatophenyl)metalloporphyrins comprising the divalent metal centers Zn II , Cu II , and Pd II . Sets of candidate structures were obtained by geometry optimizations based on calculations at both the semiempirical PM7 and density functional theory (DFT) levels. The corresponding theoretical cross sections were calculated with the projection approximation and also with the trajectory method. By comparing these collision cross sections with the respective experimental values we were able to assign oligomer structures up to the tetramer. In most cases the cross sections of the lowest energy isomers predicted by theory were found to agree with the measurements to within the experimental uncertainty (2%). Specifically, we find that for a given oligomer size the structures are independent of the metal center but depend strongly on the charge state. Oligomers in low charge states with a correspondingly larger number of sodium counterions tend to form stacked, cofacial structures reminiscent of H-aggregate motifs observed in solution. By contrast, in higher charge states, the stack opens to form coplanar structures.

Supramolecular guest-host complexes comprising various azaporphines stacked in a coordination nanoprism consisting of tris(4-pyridyl)triazines as panels, 1,4-bis(pyridyl)benzenes as pillars and (en)Pd as hinges were synthesized according to the procedure of Fujita and coworkers and characterized as ions in the gas-phase by high-resolution electrospray ionization mass spectrometry and collision induced dissociation as well as in solution by analytical ultracentrifugation. Apart from fully filled nanoprisms we have also prepared and observed partially filled as well as empty congeners in aqueous solutions. Upon mixing room temperature solutions of two types of nanoprisms, we observe that azaporphine guest exchange reactions occur on a timescale of minutes, indicating that the formation of the guest-host complexes is reversible.

Single walled carbon nanotubes were studied with respect to cytotoxic and genotoxic properties in cells of the gastrointestinal tract as exemplified for the human colon carcinoma cell line HT29. No effect on cell growth in the sulphorhodamine B assay was observed after 24 h of incubation, whereas growth inhibitory properties were found after 48 and 72 h. After 24 h incubation a decrease of mitochondrial activity (WST-1) was measured (≥0.1 μg/ml), whereas membrane integrity (lactate dehydrogenase) was not affected. In cytotoxic concentrations, the formation of reactive oxygen species and a slight increase of total glutathione and nuclear Nrf2 were observed. However, already in subcytotoxic concentrations substantial DNA damaging effects were found in the alkaline comet assay, which were not associated with enhanced formation of formamidopyrimidine-DNA-glycosylase-sensitive sites. In addition, an increase of kinetochore-negative micronuclei (V79) and phosphorylation of the tumour suppressor protein p53 (HT29) underlined the genotoxic potential of these nanostructures.

Two 2,6-bispyrazolylpyridine ligands (bpp) were functionalized with pyrene moieties through linkers of different lengths. In the ligand 2,6-di(1H-pyrazol-1-yl)-4-(pyren-1-yl)pyridine (L1) the pyrene group is directly connected to the bpp moiety via a C-C single bond, while in the ligand 4-(2,6-di(1H-pyrazol-1-yl)pyridin-4-yl)benzyl-4-(pyren-1-yl)butanoate (L2) it is separated by a benzyl ester group involving a flexible butanoic chain. Subsequent complexation of Fe(II) salts revealed dramatic the influence of the nature of the pyrene substitution on the spin-transition behaviour of the resulting complexes. Thus, compound [Fe(L1)(2)](ClO(4))(2) (1) is blocked in its high spin state due to constraints caused by a strong intermolecular π-π stacking in its structure. On the other hand, the flexible chain of ligand L2 in compounds [Fe(L2)(2)](ClO(4))(2) (2) and [Fe(L2)(2)](BF(4))(2)·CH(3)CN·H(2)O (3) prevents structural constraints allowing for reversible spin transitions. Temperature-dependent studies of the photophysical properties of compound 3 do not reveal any obvious correlation between the fluorescence of the pyrene group and the spin state of the spin transition core.

The treatment of 2,2'-di(1,2-pyrazol-3-yl)-1,1'-binaphthyl with two equivalents of appropriate monovalent group 11 precursors in the presence of a base leads to a complete exchange of the pyrazole NH protons with M(+) cations. Structural characterisation of the copper(I) complex revealed a hexanuclear complex with a pelton-wheel-like arrangement of the binaphthyl unit. As indicated by their spectroscopic data, all three complexes are isostructural. The complexes show a complex fluorescence behaviour that can be partially related to the ligand system and also to the metal sites, as indicated by the position of the fluorescence peaks and their temperature dependence and lifetimes., (Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

We report a facile particle mediated aggregation protocol to synthesize "sea urchin"-like gold mesoparticles with tailored surface topography via a secondary nucleation and growth process. Surprisingly, these multitip Au mesoparticles are capable of self-assembling into monolayer or multiple layer arrays on Si substrates with a convincing reproducibility and homogeneity over large areas. Raman measurements show that these individual sea urchin-like multitipped gold mesoparticles exhibit a high enhancement of surface-enhanced Raman scattering (SERS). In addition, the sea urchin-like mesoparticle arrays display a further enhancement of SERS by 1 or 2 orders of magnitude over the individual mesoparticle due to the formation of additional hot spots between the particles. The current protocol stands out as a potentially interesting approach for the fabrication of technologically important SERS-based sensors.

A new heteroleptic bis(phthalocyaninato) terbium(III) complex 1, bearing a pyrenyl group, exhibits temperature and frequency dependence of ac magnetic susceptibility, typical of single-molecule magnets. The complex was successfully attached to single-walled carbon nanotubes (SWNTs) using pi-pi interactions, yielding a 1-SWNT conjugate. The supramolecular grafting of 1 to SWNTs was proven qualitatively and quantitatively by high-resolution transmission electron microscopy, emission spectroscopy, and atomic force spectroscopy. Giving a clear magnetic fingerprint, the anisotropy energy barrier and the magnetic relaxation time of the 1-SWNT conjugate are both increased in comparison with the pure crystalline compound 1, likely due to the suppression of intermolecular interactions. The obtained results propose the 1-SWNT conjugate as a promising constituent unit in magnetic single-molecule measurements using molecular spintronics devices.

We have studied intersubband decay of E22 excitons in semiconducting carbon nanotubes experimentally and theoretically. Photoluminescence excitation line widths of semiconducting nanotubes with chiral indicess (n,m) can be mapped onto a connectivity grid with curves of constant (n - m) and (2n + m). Moreover, the global behavior of E22 line widths is best characterized by a strong increase with energy irrespective of their (n-m)mod(3) = +/-1 family affiliation. Solution of the Bethe-Salpeter equations shows that the E22 line widths are dominated by phonon assisted coupling to higher momentum states of the E11 and E12 exciton bands. The calculations also suggest that the branching ratio for decay into exciton bands vs free carrier bands, respectively is about 10:1.

Individual single-wall carbon nanotubes (SWNTs) and double-wall carbon nanotubes (DWNTs) were suspended in water for optical studies using sodium-cholate and other surfactants. We used time-resolved photoluminescence (PL) spectroscopy to study the influence of tube chirality and diameter as well as of the environment on nonradiative decay in small diameter tubes. The studies provide evidence for PL from small diameter core tubes in DWNTs and for a correlation of nonradiative decay with tube diameter and exciton red shift as induced by interaction with the environment.

Sidewall functionalization of single-walled carbon nanotubes (SWCNTs) via the addition of (R-)oxycarbonyl nitrenes allows for the covalent binding of a variety of different groups such as alkyl chains, aromatic groups, dendrimers, crown ethers, and oligoethylene glycol units. Such additions lead to a considerable increase in the solubility in organic solvents such as 1,1,2,2-tetrachloroethane (TCE), dimethyl sulfoxide (DMSO), and 1,2-dichlorobenzene (ODCB). The highest solubilities of 1.2 mg/mL were found for SWCNT adducts with nitrenes containing crown ether of oligoethylene glycol moieties in DMSO and TCE, respectively. The presence of chelating donor groups within the addends allowed for the complexation of Cu(2+) and Cd(2+). Atomic force microscopy (AFM) and transmission electron microscopy (TEM) revealed that the functionalized tubes form thin bundles with typical diameters of 10 nm. The presence of thin bundles in solution is supported by (1)H NMR spectroscopy. The elemental composition of the functionalized SWCNT was determined by X-ray photoelectron spectroscopy (XPS). The use of Raman and electron absorption spectroscopy (UV/Vis-nIR) showed that the electronic properties of the SWCNTs are mostly retained after functionalization, indicating a low degree of addition within this series of SWCNT derivatives.

Group A rotaviruses play an important role for the induction of gastroenteritis. Seroepidemiological studies evaluating the situation in humans have been performed previously. In this study data concerning the importance of group A rotavirus infections and the contribution of the most important serotypes are given for the domestic cat. 91% of the observed sera showed antibodies neutralizing serotype G 3. Antibodies with neutralizing properties directed against other important human serotypes could not be detected. The results obtained are discussed with respect to the formation of reassortant rotaviruses.

The cognitive functioning of 27 female patients with congenital adrenal hyperplasia (CAH) (aged 11-41 yrs) and 13 of their healthy sisters (13-31 yrs) was compared using short versions of age-appropriate Wechsler scales. In contrast to other studies, neither a higher than average IQ level for CAH patients (mean: 99.0) nor for their sisters (97.7) was found. Unexpectedly, and in contrast to other reports, the subgroup of salt-wasting (SW) patients>16 yrs (N=6; mean score: 111.5) differed from their sisters as well as from simple-virilizing (SV) patients in "full IQ" (p<0.05) and subtest scorings for "Information", "Similarities", and "Picture Completion" (p<0.05-<0.10). SW patients displayed "more masculine" behaviour (vs. SV patients and sisters) which, in turn, was related to differential prenatal hormonal influences. No clear-cut relationships between IQ/cognitive (subtest) findings and gender-role behaviour were found.

Single-crystal x-ray diffraction methods were used to determine the crystal and molecular structure of C(60) buckminsterfullerene. At 110 kelvin C(60) is cubic, apparent Laue symmetry m3m, but it exhibits noncrystallographic systematic extinctions indicative of a twin in which I(hkl) and I(khl) are superimposed. In fact, C(60) crystallizes with four molecules in space group [See equation in the PDF file] of the cubic system (Laue symmetry m3) with lattice constant a = 14.052(5) angstroms (A) at 110 kelvin. The twin components are equal. A given component, which has crystallographically imposed symmetry [See equation in the PDF file] displays an ordered structure of a truncated icosahedron. The five independent C=C bonds that join C(6) rings average 1.355(9) A; the ten independent C-C bonds that join C(6) and C(5) rings average 1.467(21) A. The mean atom-to-atom diameter of the C(60) molecule is 7.065(3) A. The molecules are very tightly packed in the crystal structure, with intermolecular C...C distances as short as 3.131(7) A.

Thirty-five female patients with congenital adrenal hyperplasia (CAH) were compared to a group of 16 healthy sisters in regard to gender-related behavioral patterns, present attitudes, and plans for the future. A semi-structured interview with the subjects, ages 11 to 41 yr, and their mothers concentrated on four to five age stages. Results of retrospective data from single items as well as from several related composite scales ("interests and behavior," "appearance," "overall scores") revealed significant group differences: Both in mother-assessment and self-assessment, CAH patients showed a "more masculine" orientation than their sisters, but this was far from consistent across all age stages, especially for single items. Unexpectedly, the gender-behavior differences between CAH patients and sisters did not hold for certain items and scales of "social behavior" (e.g., assertiveness, dominance, acceptance in peer groups) and, in contrast to some of the existing literature, also not for "high-energy expenditure." With regard to expectations for the future, CAH patients had less of a "wish to have their own children" and a higher preference for "having a career versus staying at home." Age, socioeconomic status, intelligence, and presence or absence of a sister as possibly intervening psychosocial/demographic factors could not explain the group differences in behavior. Degree of genital masculinization (Prader stages) or "onset and quality" of therapy as measures of pre- and postnatal androgenization, respectively, could also not account for the degree of the "more masculine" orientation in the CAH group. Nevertheless, the overall results are compatible with earlier findings on the masculinizing effects of prenatal androgens on behavior in humans and point to a time period after sexual differentiation of the genitalia and before birth as the most likely one for the effects of prenatal hormones on behavioral masculinization in humans.

The salt-wasting (SW) and simple-virilizing (SV) forms of congenital adrenal hyperplasia (CAH) are characterized by distinct prenatal hormonal milieus. To test whether these hormonal milieus differentially influence the development of a "more masculine" behavioral pattern in female CAH patients (Dittmann et al., 1990), SW patients (N = 13) were compared both to SV patients (N = 20) and healthy sisters of both groups (N = 16). The data are based on semi-structured interviews in which subjects (11-41 yr) and mothers were asked about aspects of "Gender-related interests and behavior," "Level of activity," "Social behavior," (reflecting e.g., assertiveness, dominance, and acceptance by peer groups) and "Appearance"; these areas of interest were represented by composite scales. On most scales, and by both mother-assessment and self-assessment, SW patients differed significantly from both SV patients and sisters in having a "more masculine" orientation. SW patients also showed a higher "Level of activity." These SW group results probably account for much of the CAH/sister differences reported in the companion article (Dittmann et al., 1990). In contrast, SV patients differed from the sister sample on only a few scales. There were no significant differences between SV and SW subjects in the degree of virilization of the external genitalia (indicating no group difference in prenatal androgenization). SW patients were treated "earlier" and "better" after birth (indicating less postnatal androgenization). However, these medical conditions, as well as several psychosocial/demographic variables, could not explain the group behavioral differences. These results do not support a primarily psychosocial explanation of behavioral development in CAH patients, especially those with the SW condition; they rather suggest differential organizational effects of two different hormonal environments (SV vs. SW) during critical periods of prenatal CNS development.