Miracle-dz/UniFAR-FTUs huggingface dataset:
Strategy to Manipulate Molecular Orientation and Charge Mobility in D–A Type Conjugated Polymer through Rational Fluorination for Improvements of Photovoltaic Performances

Improving the photoelectric conversion efficiency of organic solar cells (OSCs) is an essential issue for large scale commercial applications. Introducing the fluorine (F) atoms onto the electron-accepting unit and/or electron-donating unit on donor (D)–acceptor (A) type conjugated polymer is an effective strategy to enhance the overall solar cell performance. Here, the optimum sites for fluorination in favor of boosting the optical and photovoltaic properties of polymers are fully investigated by density functional theory (DFT) calculation and molecular dynamics (MD) simulation. Especially, the interchain charge mobility is calculated by means of Marcus theory, to investigate the charge transport process quantitatively. The results of theoretical modeling indicate that, except for the enhanced absorption spectra and deep lying HOMO level, more importantly, a higher hole mobility could be achieved when F is introduced onto the 3,6 position (outer site) of quaterthiophene for two reasons: (1) more effectiv.
Introducing a New Detailed Long-Term COSMO-CLM Hindcast for the Russian Arctic and the First Results of Its Evaluation

Diverse and severe weather conditions and rapid climate change rates in the Arctic emphasize the need for high-resolution climatic and environmental data that cannot be obtained from the scarce observational networks. This study presents a new detailed hydrometeorological dataset for the Russian Arctic region, obtained as a long-term hindcast with the nonhydrostatic atmospheric model COSMO-CLM for the 1980–2016 period. The modeling workflow, evaluation techniques, and preliminary analysis of the obtained dataset are discussed. The model domain included the Barents, Kara, and Laptev Seas with ≈12-km grid spacing. The optimal model setup was chosen based on preliminary simulations for several summer and winter periods with varied options, and included the usage of ERA-Interim reanalysis data as forcing data, the new model version 5.05 with so-called ICON-based physics, and a spectral nudging technique. The wind speed and temperature climatology in the new COSMO-CLM dataset closely agreed with the ERA-Interim reanalysis, but with detailed spatial patterns. The added value of the higher-resolution COSMO-CLM data with respect to the ERA-Interim was most pronounced for higher wind speeds during downslope windstorms with the influence of mountain ranges on the temperature patterns, including surface temperature inversions. The potential applications and plans of further product development are also discussed.
Simultaneous multimodal three-photon and optical coherence microscopy of the mouse brain in the 1700 nm optical window in vivo

Multimodal microscopy combining various imaging approaches can provide complementary information about tissue in a single imaging session. Here, we demonstrate a multimodal approach combining three-photon microscopy (3PM) and spectral-domain optical coherence microscopy (SD-OCM). We show that an optical parametric chirped-pulse amplification (OPCPA) laser source, which is the standard source for three-photon fluorescence excitation and third harmonic generation (THG), can be used for simultaneous OCM, 3-photon (3P) fluorescence and THG imaging. We validated the system performance in deep mouse brains in vivo with an OPCPA source operating at 1620 nm center wavelength. We visualized small structures such as myelinated axons, neurons, and large fiber tracts in white matter with high spatial resolution non-invasively using linear and nonlinear contrast at >1 mm depth in intact adult mouse brain. Our results showed that simultaneous OCM and 3PM at the long wavelength window can be conveniently combined for deep tissue imaging in vivo.
Graphene quantum dot-based theranostic agents for active targeting of breast cancer

A novel graphene quantum dot (GQD)-based nanocarrier labeled with Herceptin (HER) and β-cyclodextrin (β-CD) was developed as a promising theranostic candidate for the treatment of breast cancer. Each component of this nanocarrier plays a critical role in providing multiple functions to achieve enhanced anticancer activities. HER provides active targeting to HER2-overexpressed breast cancer to enhance accumulation in the cancer cells. β-CD provides a site for loading of a hydrophobic anticancer drug, doxorubicin (DOX), via “host–guest” chemistry. The nanocarriers also provide diagnostic effects due to the blue-color emission of the GQDs. In response to the acidic environment of cancer cells, the GQD-complex degraded rapidly and the DOX was released in a controlled manner to inhibit proliferation of cancer cells. This multi-functional drug delivery system leads to a synergistically enhanced anticancer strategy which provides treatment and diagnosis. The intracellular trafficking results, along with cell viability and confocal laser scanning microscopy, suggest that the GQD-complex offers a viable strategy for HER2-overexpressed breast cancer-targeting drug delivery applications.
Identifying the configurational conditions for marketing analytics use in UK SMEs

PurposeWhile marketing analytics can be used to improve organizational decision-making and performance significantly, little research exists to examine how the configurations of multiple conditions affect marketing analytics use. This study draws on configuration theory to investigate marketing analytics use in small and medium-sized enterprises (SMEs). Design/methodology/approachThis research employs a fuzzy-set qualitative comparative analysis using data collected from a survey of 187 managers in UK SMEs.FindingsThe key findings show that (1) configurations of multiple conditions provide alternative pathways to marketing analytics use, and (2) the configurations for small firms are different from those for medium-sized firms.Research limitations/implicationsThe research results are based on several key configurational factors and a single key-informant method to collect subjective data from UK SME managers.Practical implicationsThe study helps SMEs to understand that marketing analytics use is influenced by the interaction of multiple conditions, that there are alternative pathways to marketing analytics use, and that SMEs should choose the configuration that fits best with their organizational contexts.Originality/valueThe study contributes to the literature by addressing an important yet underresearched area, i.e. marketing analytics use in SMEs, applying a configurational approach to the research phenomenon. It highlights different pathways to marketing analytics use in SMEs. The findings provide empirical evidence on the possibility and implication of marketing analytics use being asymmetrical and different between small and medium-sized firms.
Executives’ Knowledge Management and Emotional Intelligence Role: Dynamizing Factor towards Open Innovation

The main aim of this empirical research was to classify the profiles of executives of Spanish companies. We classified the executives’ profiles based on two key factors of innovation: knowledge management and emotional intelligence. The sample comprised study 241 executives of Spanish companies, a principal component analysis, a two-stage cluster analysis, and an ANOVA analysis conducted by taking innovation as a dependent variable. The theory of resources and capacities was the theoretical framework. We conclude that the differentiation of executives’ profiles is essential to avoid the loss of innovative potential and a consequent loss of competitive advantage in the Spanish business sector. This research contributes to identify a taxonomy of executives’ profiles—agile, laggard, soloist and cooperator. These groups present some different levels of knowledge management and emotional intelligence and differences in their ability to innovate.
Optimum Parametric Identification of a Stand-Alone Photovoltaic System with Battery Storage and Optimization Controller Using Averaging Approach

The dimensioning of photovoltaic systems is the major concern of researchers and power industry practitioners. This aims to improve energy efficiency and protect the conversion units by a consistent assessment of power conditioning circuits and interconnections for the PV application. In this context, this paper sets out to fulfill detailed modeling and control steps of a standalone photovoltaic (PV) power system with energy storage, according to practical specifications of the load, PV generation unit, and battery pack. The main goal is to estimate all unknown parameters, as the diode ideality factor and revers saturation current, the controller, and the PV link. The PV link interfacing the PV source circuit to the PV-side converter (PVSC) provides a filtering function to maintain a steady voltage at the link. The charge controller used in the PV-side converter is a DC/DC buck converter. It transfers the PV power to the battery and supplies the load. Using pulse- width modulation (PWM) technical, of which the switching duty cycle is the control-input variable; the PVSC power-conditioning circuit is permanently controlled by the maximum power point tracking (MPPT) algorithm to achieve the maximum energy. The battery pack voltage is properly maintained by the charge controller and specified to match the load voltage rating, to avoid a high ratio of voltage conversion. A method is proposed to integrate both the MPPT function and the battery cycle charge. The PV generator output and the power conditioning circuits, mainly constructed from switching- mode power converters, are nonlinear. An averaged model is then derived for dynamic analysis and controller synthesis, using the state-space averaging and linearization method. A PV array of nine PV modules configured into three strings is used in this application to demonstrate the effectiveness of modeling, design, control, and simulation. Simulation model for the controller and power interface is built and developed in short term, using the fundamental blocks of Matlab Simulink.
Snowmelt timing affects short‐term decomposition rates in an alpine snowbed

Alpine snowbed communities are characterized as having areas of longer lasting snow cover duration compared with the surrounding landscape. The predictable accumulation of deep and long -lasting snow on lee side ridges drives a unique ecology, providing stable microclimatic conditions under the snow through winter, supplying meltwater in spring, and controlling many biological processes. The timing and rate of plant litter decomposition are key controls on the nutrient balance of snowbed communities, and are thought to be strongly driven by snow dynamics. However, little is known about how the patterns and timing of snowmelt affect decomposition, nor how long these effects last into the growing season. We investigated the in ﬂ uence of snowmelt timing on decomposition rates across an alpine snowbed community by burying standardized plant litter (rooibos and green tea), at three incubation times (whole year, winter + spring, and summer), across three snowmelt zones. Decomposition rate (as per-cent mass loss of tea) was signi ﬁ cantly higher in early-melting zones compared to late-melting zones, particularly for the recalcitrant litter (rooibos tea). Decomposition was also affected by the season(s) of incubation and was greatest where tea was buried for the whole year, or only over summer, with winter + spring only incubations decomposing the least. However, decomposition was more strongly in ﬂ uenced by litter quality (type of tea) than either the timing of snowmelt or seasonality. These results provide further understanding about how changes to the timing of snowmelt may in turn transform these rare and unique plant communities.
Formant estimation from speech signal using the magnitude spectrum modified with group delay spectrum

The magnitude spectrum is a popular mathematical tool for speech signal analysis. In this paper, we propose a new technique for improving the performance of the magnitude spectrum by utilizing the benefits of the group delay (GD) spectrum to estimate the characteristics of a vocal tract accurately. The traditional magnitude spectrum suffers from difficulties when estimating vocal tract characteristics, particularly for high-pitched speech owing to its low resolution and high spectral leakage. After phase domain analysis, it is observed that the GD spectrum has low spectral leakage and high resolution for its additive property. Thus, the magnitude spectrum modified with its GD spectrum, referred to as the modified spectrum, is found to significantly improve the estimation of formant frequency over traditional methods. The accuracy is tested on synthetic vowels for a wide range of fundamental frequencies up to the high-pitched female speaker range. The validity of the proposed method is also verified by inspecting the formant contour of an utterance from the Texas Instruments and Massachusetts Institute of Technology (TIMIT) database and standard F2–F1 plot of natural vowel speech spoken by male and female speakers. The result is compared with two state-of-the-art methods. Our proposed method performs better than both of these two methods.
Study on comprehensive degradation stability of special and nonspecific motor oils

In order to study the degradation characteristics of special and nonspecific motor oil, two experimental vehicles carried out eight road tests with four types of oils, which two types of oils were special oils for its engines recommended by OEM (original equipment manufacturer) and the other two types of nonspecific oil were bought from market. Total acid number, oxidation stability, oxidation, nitration and sulfation values of experimental oils were analysed. The interpolation method and Euclidean distance were used to evaluate the similarity of change curves of oil properties. The results show that the oxidation onset temperature had good similarity both in special oils and nonspecific oils. The sulfation value of nonspecific oils had highest change rate of Euclidean distance. The change rate of Euclidean distance of two special oils were less than 8.48%, which had more stability than that of the nonspecific oils. This work can serve as a reference for end users to select motor oils and oil developers to improve the oil stability.
Allergy to walnuts and hazelnuts in atopic dermatitis patients and analysis of sensitization to molecular components

ABSTRACT Aim To evaluate the occurrence of food allergy to walnuts and hazelnuts in atopic dermatitis patients. Methods The examination of specific IgE to molecular components with Multiplex ISAC testing was performed. The diagnosis of food allergy was confirmed in patients suffering from food reactions to walnuts/hazelnuts together with positive results of specific IgE to molecular components. Results and conclusion : Altogether 100 atopic dermatitis patients were examined – 48 men, 52 women, the average age 40.9 years. Hazelnuts allergy was confirmed in 25% of patients; these patients are majorly allergic to PR 10 protein, minorly to storage proteins. Walnut allergy was confirmed in 14% of patients; these patients are majorly allergic to storage proteins and to non-specific lipid transfer proteins. Sensitization to Bet v 1 homologues and profilins was associated with mild symptoms; nsLTPs and seed storage proteins were related to severe reactions.
Political parties' influence on environmental policy in the forest: Natura 2000 forest sites in Germany as a case study

While the partisan theory has already rendered initial insight on whether political parties can make a difference in environmental policy, only little is known about their influence on forest policy. This article attempts to reveal the role of green, left-wing and right-wing parties in the case of German Natura 2000 policy. By testing whether nature conservation or forest interests are strongly supported by the government policy outputs, we test the influence of the different parties that were part of 62 governments from 2004 to 2018 in 16 German Bundesländer . The results show that the German left-wing parties take up the ideas of the nature conservation sector, while right-wing parties foster typical forest interests. Furthermore, right-wing parties very often maintain the policy status quo instead of making policy changes so that the implementation of the biodiversity goal of Natura 2000 often is postponed. The German Green party does not foster nature conservation interests more strongly than the SPD. Coalitions between right-wing parties increase the chance for policy outputs that tend to favour forest interests.
Aktivitas Antioksidan Dan Sifat Organoleptik Teh Daun Sirsak (Annona Muricata Linn.) Berdasarkan Variasi Lama Pengeringan

Soursop leaf has been used traditionally to treat a variety of diseases, because soursop leaf contain antioxidant compound. The research objective to be achieved is to measure and analyze the activity of antioxidant and organoleptic properties of Soursop Leaf Tea by variations in drying time 30, 60, 90, 120, and 150 minutes. Measurement of antioxidant activity using UV-Vis spectrophotometry method 50oC with a temperature of 150 minutes give the highest level of antioxidant activity and the lowest EC50 value, but itÂ has lowest a flavor organoleptic. Recommendations, drying temperature of 50 o C tailings with drying 150 minutes, and to increase flavor can be done with the added the essen.
Line shapes of atomic transitions in excited dense gas

W e discuss recently published results of experimen- tal studies of dipole-dipole broadened line shapes in excited atomic vapors. The Lorentz local-field shift and self-broadened width were measured in optically excited potassium and rubid- ium vapors. Strong reduction of the shift and width was ob- served. This effect allowed resolve electromagnetically induced dressed states inside the self-broadened spectral profile. The ex- perimental results were interpreted using well-known models of the dipole-dipole interactions.
The properties and structure of peroxide-cured NBR containing magnesium methacrylate

The mechanical properties and the crosslinked-network structure of peroxide-cured nitrile rubber containing magnesium methacrylate have been studied. In the absence of any conventional reinforcing filler, the resulting vulcanizate shows excellent mechanical properties, and has high hardness, strength and elongation at break. The amount of magnesium methacrylate, and of dicumyl peroxide, and the types of rubbers have great influence on the mechanical properties. Structure analysis shows that the vulcanizate contains both covalent and salt crosslinks. The mechanical properties of the vulcanizates are very much influenced by the salt crosslinks.
The Effect of Hydroxylated Multi-Walled Carbon Nanotubes on the Properties of Peg-Cacl2 Form-Stable Phase Change Materials

Calcium ions can react with polyethylene glycol (PEG) to form a form-stable phase change material, but the low thermal conductivity hinders its practical application. In this paper, hydroxylated multi-walled carbon nanotubes (MWCNTs) with different mass are introduced into PEG1500·CaCl2 form-stable phase change material to prepare a new type of energy storage material. Carbon nanotubes increased the mean free path (MFP) of phonons and effectively reduced the interfacial thermal resistance between pure PEG and PEG1500·CaCl2 3D skeleton structure. Thermal conductivity was significant improved after increasing MWCNTs mass, while the latent heat decreases. At 1.5 wt%, composite material shows the highest phase change temperature of 42 °C, and its thermal conductivity is 291.30% higher than pure PEG1500·CaCl2. This article can provide some suggestions for the preparation and application of high thermal conductivity form-stable phase change materials.
How Does Online Brand Community Climate Influence Community Identification? The Mediation of Social Capital

Although online communities with a supportive climate encourage members to participate and exchange their information openly and freely, participants may perceive the community to be unsafe without proper control. Do controlling climates also contribute to the accumulation of social capital in online brand communities (OBCs)? The purpose of our study was to investigate how controlling and supportive climates jointly influence community identification, and to examine the mediating effects of social capital and the moderating effects of community age. A conceptual framework was proposed and tested with data collected from an online survey of 481 online brand community members. We found that both controlling and supportive climates had positive effects on social capital (trust and norms of reciprocity), which exerted a partial mediation between community climate and community identification in the OBCs examined. Developing a community climate was particularly effective in generating trust in older communities. This research contributes to the community literature and has important implications for community climate management. We identified the boundary conditions of the community climate-trust association.