bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical, Spectroelectrochemical, and Electrocatalytic Dioxygen Reducing Properties of Peripheral Tetra‐2,6‐dimethoxyphenoxy Substituted Phthalocyanines
Authors: Orman Efe Baturhan , Pişkin Mehmet , Odabaş Zafer , Özkaya Ali Rıza 
Published: July 2021

AbstractBy using of peripherally tetrakis‐2,6‐dimethoxyphenoxy substituted Co(II), Fe(III), and Mn(III) phthalocyanines was observed to extend the redox richness of the phthalocyanine ring with the addition of reversible metal‐based electron transfer couples to the phthalocyanine ring‐based electron transfer processes in solution. The emergence of highly steady anionic and cationic redox species with clear spectral and colour changes both in solution and in the film during in situ spectroelectrochemical and in situ electrocolorimetric measurements pointed out their applicability as electrochromic materials. Furthermore, the phthalocyanine complexes demonstrated strong interaction with dioxygen and thus, high electrocatalytic enforcement for its reduction.
Reassessing the Necessity of the Drying Step in Hummer's Method for Graphene Oxide Synthesis
Authors: Glass Dean E. , Galvan Vicente , Prakash G. K. Surya 
Published: July 2021

AbstractThe necessity of drying the graphene oxide suspension (GOsus) using Hummer's Method to produce graphene oxide (GO) powder was studied. The undried GOsus was compared to the dried GO. The GO materials were used as Pt supports via NaBH4 reduction for O2 reduction. XRD patterns showed similar d‐spacing in both while the half‐cell tests of the Pt/rGOsus and Pt/rGO catalysts were similar. GOsus film, deposited onto Toray Carbon Paper and electrochemically reduced in aq. H2SO4 was tested as a capacitor. The suspension and dried graphene‐based capacitor showed similar XRD and XPS patterns and the erGOsus capacitor displayed increased capacitance.
Solvent‐mediated forces in protein dielectrophoresis
Authors: Waskasi Morteza M. , Lazaric Aleksandar , Heyden Matthias 
Published: July 2021

AbstractDEP is an established method to manipulate micrometer‐sized particles, but standard continuum theories predict only negligible effects for nanometer‐sized proteins despite contrary experimental evidence. A theoretical description of protein DEP needs to consider details on the molecular scale. Previous work toward this goal addressed the role of orientational polarization of static protein dipole moments for dielectrophoretic effects, which successfully predicts the general magnitude of dielectrophoretic forces on proteins but does not readily explain negative DEP forces observed for proteins in some experiments. However, contributions to the protein chemical potential due to protein–water interactions have not yet been considered in this context. Here, we utilize atomistic molecular dynamics simulations to evaluate polarization‐induced changes in the protein solvation free energy, which result in a solvent‐mediated contribution to dielectrophoretic forces. We quantify solvent‐mediated dielectrophoretic forces for two proteins and a small peptide in water, which follow expectations for protein–water dipole–dipole interactions. The magnitude of solvent‐mediated dielectrophoretic forces exceeds predictions of nonmolecular continuum theories, but plays a minor role for the total dielectrophoretic force for the simulated proteins due to dominant contributions from the orientational polarization of their static protein dipoles. However, we extrapolate that solvent‐mediated contributions to negative protein DEP forces will become increasingly relevant for multidomain proteins, complexes and aggregates with large protein–water interfaces, as well as for high electric field frequencies, which provides a potential mechanism for corresponding experimental observations of negative protein DEP.
A self‐exciting marked point process model for drought analysis
Authors: Li Xiaoting , Genest Christian , Jalbert Jonathan 
Published: July 2021

AbstractA self‐exciting marked point process approach is proposed to model clustered low‐flow events. It combines a self‐exciting ground process designed to capture the temporal clustering behavior of extreme values and an extended Generalized Pareto mark distribution for the exceedances over a subasymptotic threshold. The model takes into account the dependence between the magnitude and occurrence time of exceedances and allows for closed‐form inference on tail probabilities and large quantiles. It is used to analyze daily water levels from the Rivière des Mille Îles (Québec, Canada) and to characterize drought patterns in the Montréal area. The model is useful to generate short‐term probability forecasts and to estimate the return period of major droughts. This information on the drought events is critical to water resource professionals in planning, designing, building, and managing more efficient water resource systems to hedge against the water shortage in case of extreme droughts.
An efficient algorithm to simulate site‐based ground motions that match a target spectrum
Authors: Fayaz Jawad , Zareian Farzin 
Published: July 2021

AbstractAn efficient algorithm is presented to simulate site‐based ground motions using Dabaghi and Der Kiureghian (2018) and Rezaeian and Der Kiureghian (2012) that achieve target ground motion intensity measures between a range of periods. The proposed algorithm uses predictive relations between the model parameters (MP) and the RotD50 spectral acceleration spectrum, RotD50Sa,Tar(T), of the site‐based ground motions. A correlation structure is estimated to account for the cross‐spectral correlations between the periods. The algorithm requires a set of five seismic event parameters (including Magnitude, Rupture Distance, Soil Shear‐Wave Velocity, Fault Mechanism, Fault Geometry) and the target spectrum (including the range of periods whose corresponding spectral accelerations are required to be matched). The proposed algorithm uses event parameters to generate appropriate sets of model parameters. Using the developed predictive relations and correlation structure, the algorithm then carefully selects the model parameters that are statistically likely to generate a ground motion waveform possessing the required target spectrum between the inputted range of periods. Unlike the traditional scaling methods, this algorithm does not alter the amplitude, time‐ and frequency‐domain characteristics of the ground motions; hence, it leads to realistic simulated ground motions. The algorithm is used to generate ground motions for response assessment of a two‐span ordinary box‐girder bridge structure, and the results are compared against the traditional methods of selecting and scaling recorded ground motions. This demonstration indicates that the conventional methods of selecting and scaling recorded ground motions lead to a bias in the bridge's responses and the proposed algorithm leads to statistical consistency in the results.
Jasminum grandiflorum flowers—Phytochemical complexity and its capture in extracts: a review
Authors: Joulain Daniel 
Published: July 2021

AbstractThe phytochemistry of the fragrant flowers of Jasminum grandiflorum is reviewed, highlighting the remarkable circadian interplay between the isoprenoid, polyketide and shikimate pathway in this plant, and outlining the challenges involved in capturing its metabolic profligacy into extracts. After presenting a detailed historical survey on the techniques developed for the production of jasmine extracts, the identification of their constituents, their associated sensory properties and their use for authentication purposes is discussed in detail.
Brain structural connectivity, anhedonia, and phenotypes of major depressive disorder: A structural equation model approach
Authors: Pfarr Julia‐Katharina , Brosch Katharina , Meller Tina , Ringwald Kai Gustav , Schmitt Simon , Stein Frederike , Meinert Susanne , Grotegerd Dominik , Thiel Katharina , Lemke Hannah , Winter Alexandra , Waltemate Lena , Hahn Tim , Opel Nils , Repple Jonathan , Bauer Jochen , Jansen Andreas , Dannlowski Udo , Krug Axel , Kircher Tilo , Nenadić Igor 
Published: July 2021

AbstractAberrant brain structural connectivity in major depressive disorder (MDD) has been repeatedly reported, yet many previous studies lack integration of different features of MDD with structural connectivity in multivariate modeling approaches. In n = 595 MDD patients, we used structural equation modeling (SEM) to test the intercorrelations between anhedonia, anxiety, neuroticism, and cognitive control in one comprehensive model. We then separately analyzed diffusion tensor imaging (DTI) connectivity measures in association with those clinical variables, and finally integrated brain connectivity associations, clinical/cognitive variables into a multivariate SEM. We first confirmed our clinical/cognitive SEM. DTI analyses (FWE‐corrected) showed a positive correlation of anhedonia with fractional anisotropy (FA) in the right anterior thalamic radiation (ATR) and forceps minor/corpus callosum, while neuroticism was negatively correlated with axial diffusivity (AD) in the left uncinate fasciculus (UF) and inferior fronto‐occipital fasciculus (IFOF). An extended SEM confirmed the associations of ATR FA with anhedonia and UF/IFOF AD with neuroticism impacting on cognitive control. Our findings provide evidence for a differential impact of state and trait variables of MDD on brain connectivity and cognition. The multivariate approach shows feasibility of explaining heterogeneity within MDD and tracks this to specific brain circuits, thus adding to better understanding of heterogeneity on the biological level.
Simulating low flows over a heterogeneous landscape in southeastern Poland
Authors: Raczyński Krzysztof , Dyer Jamie 
Published: July 2021

AbstractThis paper presents a scheme describing low flow formation processes in areas with different environmental conditions, including the impact of the selection and explanatory power of predictors for a probabilistic model based on the Logit model. The research was carried out using 29 daily streamflow gauges located in the Lublin region of southeastern Poland for the hydrological period 1976–2018. Analysis resulted in two distinct low flow schemes. In the lowland rivers, low flows occur during the warm season and are related to evaporation exceeding precipitation. In the upland rivers, hydrogeological factors related to water levels in the local Cretaceous aquifers determine the occurrence of low flows. This differentiation affects the quality of the predictive models. For lowland rivers, models based on the climatic water balance with a monthly shift have a better fit, while these models used for upland rivers are characterized by an approximately 10% decrease in accuracy. For upland rivers, the combined CtHt models without shifts produce the best model fit. The generalized precision of the Logit models is around 80%–90%.
One‐year mortality and consequences of COVID‐19 in cancer patients: A cohort study
Authors: Chai Chen , Feng Xiaojun , Lu Meixia , Li Shoupeng , Chen Kui , Wang Hongxiang , Wang Wendan , Tang Zhaoming , Cheng Gang , Wu Xiaoxiong , Li Yunfeng , Wen Yuying , Da Banghong , Fan Hong , Wang Lei , Ai Fen , Li Wei , Peng Cao , Zhang Hongrong , Wen Shuang , Zhang Jinnong , Weng Yuxiong , Tang Zehai 
Published: July 2021

AbstractThe 1‐year mortality and health consequences of COVID‐19 in cancer patients are relatively underexplored. In this multicenter cohort study, 166 COVID‐19 patients with cancer were compared with 498 non‐cancer COVID‐19 patients and 498 non‐COVID cancer patients. The 1‐year all‐cause mortality and hospital mortality rates in Cancer COVID‐19 Cohort (30% and 20%) were significantly higher than those in COVID‐19 Cohort (9% and 8%, both P < .001) and Cancer Cohort (16% and 2%, both P < 0.001). The 12‐month all‐cause post‐discharge mortality rate in survival discharged Cancer COVID‐19 Cohort (8%) was higher than that in COVID‐19 Cohort (0.4%, P < .001) but similar to that in Cancer Cohort (15%, P = .084). The incidence of sequelae in Cancer COVID‐19 Cohort (23%, 26/114) is similar to that in COVID‐19 Cohort (30%, 130/432, P = .13). The 1‐year all‐cause mortality was high among patients with hematologic malignancies (59%), followed by those who have nasopharyngeal, brain, and skin tumors (45%), digestive system neoplasm (43%), and lung cancers (32%). The rate was moderate among patients with genitourinary (14%), female genital (13%), breast (11%), and thyroid tumors (0). COVID‐19 patients with cancer showed a high rate of in‐hospital mortality and 1‐year all‐cause mortality, but the 12‐month all‐cause post‐discharge mortality rate in survival discharged cancer COVID‐19 patients was similar to that in Cancer Cohort. Comparing to COVID‐19 Cohort, risk stratification showed that hematologic, nasopharyngeal, brain, digestive system, and lung tumors were high risk (44% vs 9%, P < 0.001), while genitourinary, female genital, breast, and thyroid tumors had moderate risk (10% vs 9%, P = .85) in COVID‐19 Cancer Cohort. Different tumor subtypes had different effects on COVID‐19. But if cancer patients with COVID‐19 manage to survive their COVID‐19 infections, then long‐term mortality appears to be similar to the cancer patients without COVID‐19, and their long‐term clinical sequelae were similar to the COVID‐19 patients without cancer.
New function of a well‐known promoter: Enhancer activity of minimal CMV promoter enables efficient dual‐cassette transgene expression
Authors: Boateng‐Antwi Michael K. A. , Lin Yi , Ren Sheng , Wang Xiaohong , Pan Dao 
Published: July 2021

AbstractBackgroundCo‐expression of multiple genes in single vectors has achieved varying degrees of success by employing two promoters and/or application of viral 2A‐peptide or the internal ribosome entry‐site (IRES). However, promoter interference, potential functional‐interruption of expressed‐proteins by 2A‐generated residual peptides or weaker translation of IRES‐mediated downstream genes has curtailed their utilization. Thus, there is the need for single vectors that robustly express multiple proteins for enhanced gene therapy applications.MethodsWe engineered lentiviral‐vectors for dual‐cassette expression of green fluorescent protein and mCherry in uni‐ or bidirectional architectures using the short‐version (Es) of elongation factor 1α (EF) promoter and simian virus 40 promoter (Sv). The regulatory function of a core fragment (cC) from human cytomegalovirus promoter was investigated with cell‐lineage specificity in NIH3T3 (fibroblast) and hematopoietic cell lines U937 (monocyte/macrophage), LCL (lymphoid), DAMI (megakaryocyte) and MEL (erythroid).ResultsThe cC element in reverse‐orientation not only boosted upstream Es promoter to levels comparable to full‐length EF in DAMI, U937 and 3T3 cells, but also blocked the suppression of downstream Sv promoter by Es in U937 and 3T3 cells with further improved Sv activity in DAMI cells. Such lineage‐restricted up‐regulation is likely attributed to two protein‐binding domains of cC and diverse expression of related factors in different cell types for enhancer and terminator activities, but not spacing function.ConclusionsSuch a newly developed dual‐cassette vector could be advantageous, particularly in hematopoietic cell‐mediated gene/cancer therapy, by allowing for independent and robust co‐expression of therapeutic gene(s) and/or a selectable gene or imaging marker in the same cells.
In silico studies: Physicochemical properties, drug score, toxicity predictions and molecular docking of organosulphur compounds against Diabetes mellitus
Authors: Rajalakshmi Ravimoorthy , Lalitha Pottail , Sharma Sreenivasa Chandramouli , Rajiv Asha , Chithambharan Akhila , Ponnusamy Aruna 
Published: July 2021

AbstractDiabetes mellitus (DM) is a significant common metabolic disorder seen all over the world. In 2020, according to the International Diabetes Federation (IDF), out of 463 million people who have diabetes all over the world, 77 million belong to India. As per the statistical prediction, the affected numbers are probably expected to rise to 642 million by 2040. The commercially available anti‐diabetic drugs in the market include metformin, sulphonyl urea, meglitinides, miglitol, acarbose, biguanides, and thiazolidinediones cause side effects like hypoglycaemia, dizziness, liver cell injury, digestive discomfort, neurological defects, etc. Hence, bioactive organosulphur based functional ligands are chosen in this study to arrive at a newer drug for DM. In this work, in silico analysis of organosulphur molecular descriptors like physicochemical properties, solubility, drug score, and toxicity predictions are evaluated using OSIRIS and Toxtree freeware. The essential parameters for discovering drugs for biopharmaceutical formulations viz the solubility of drugs and toxicity have been calculated. The protein target Dipeptidyl peptidase DPP4 (PID: 2RIP) was docked against energy minimised sulphur compounds using Hex 6.3. The results indicate that the drug likeliness of the molecule 4, that is, N‐[(3,3‐dimethyl piperidin‐2‐yl) methyl]‐4‐ethyl sulphonyl aniline is active with decreasing binding energy score (−212.24 Kcal mol−1) with no toxicity and also few sulphur compounds are active against diabetes compared to standard drug metformin (−158.33 Kcal mol−1). The best drug‐like ligand N‐[(3,3‐dimethyl piperidin‐2‐yl) methyl]‐4‐ethyl sulphonyl aniline, was docked using commercial Maestro Schrodinger software to predict the results.
Onset and demise dates of the rainy season in the South American monsoon region: A cluster analysis result
Authors: Rodrigues Maria A. M. , Garcia Sâmia R. , Kayano Mary T. , Calheiros Alan J. P. , Andreoli Rita V. 
Published: July 2021

AbstractThis work proposes an adaptation of the method developed in previous papers to determine the onset and demise of the rainy season (ONR and DER) dates in the areas of the South American monsoon system (SAMS) based on the pentad antisymmetric outgoing long‐wave radiation (AOLR). In those papers, the sign change of the mean AOLR in the central Amazon Basin (CAM) and western central Brazil (WCB) from positive to negative defined the ONR, from negative to positive, the DER dates. Since the monsoon convection presents a northwest–southeast oriented progression, the antisymmetric area to the WCB was selected subjectively. Thus, here we propose to use the Ward hierarchical clustering method to select areas in the SAMS and in the northern tropical America (NTA) for the regionalized AOLR calculation. The significant (at the 95% confidence level) negative correlations with the largest magnitude among the clusters in the SAMS and NTA and the outgoing long‐wave radiation (OLR) and precipitation annual cycles in each group define the pairs to calculate the AOLR. Then, the AOLR time series is calculated and subjected to a 5‐pentad running mean filter. This method keeps the climatological features of the convection annual cycle such that the closer (farther) the pair is to the equator the longer (shorter) the rainy season. The ONR and DER dates found with this new method are remarkably close to those found previously. Therefore, the new method proposed here highlights regional aspects of rainy season and can easily be automatized for its routine application at the operational climate monitoring centres, for instance at INPE. This is the most important advantage of the method and might be relevant to the SAMS rainy season monitoring.
Spatial–temporal characteristics of drought and flood disasters in Yunnan Province on the margin of the Tibetan Plateau over the past 620 years
Authors: Niu Jie , Wang Liming , Yang Kunwu , Liu Shengzhi , Yin Jiqing , Liang Qiushi , Zhang Wenxiang 
Published: July 2021

AbstractDrought and flood disasters (DFD) are the most important natural disasters in the Indian monsoon (IM) region, and often occur in the same year. This makes it difficult to accurately study the characteristics of DFD using the evaluation grades of disasters. Based on the statistical analysis of historical drought and flood data in Yunnan Province, combined with anomaly accumulation values, sliding t tests and wavelet analyses, the spatial–temporal characteristics and the possible dynamic mechanisms of the DFD in Yunnan Province are analysed during the past 620 years. The results show that the frequency of flood disasters in Yunnan Province was slightly higher than that of drought disasters, and disaster frequency has gradually increased over the past 620 years, especially after 1750 AD. The variations characteristics of the drought and flood index (DFI) have 2 ~ 10 year quasi‐periodic signal in the east and west regions of the Yunling‐Ailao Mountains, and they are consistent with the environmental records of tree rings and lacustrine deposits in the region. The DFD of the IM region may be influenced mainly by solar activity and El Niño‐Southern Oscillation (ENSO) on a century scale, and frequent human activities enhance the impact of DFD, especially in the east region of the Yunling‐Ailao Mountains. The results provide a method to further understand the mechanism and trends of drought and flood disasters in the monsoon region on a century scale.
Inclusivity and empowerment—Grow and let grow
Authors: Arora Soma , Patro Arpita 
Published: July 2021

AbstractEmpowerment, diversity, and inclusivity have been topics of interest for human resource specialists for more than a decade. Here we look at the experiences of one Indian woman entrepreneur, Dr. Anubha Walia, who, after decades in blue chip multinational companies, founded her own corporate training and management consulting firm PRISM. PRISM—Prepare, Respect, Implement, Share, and Maintain—is both the name of the company and the philosophy that underpins its operation. The article describes her struggle to establish a business based on the empowerment of women in the male dominated world of Indian business. It also illustrates how the PRISM philosophy gave the company the agility and flexibility it needed to pivot from providing face‐to‐face training and advice to online courses, webinars, and wellness programs during the COVID‐19 pandemic. The article concludes with some observations on steering an organization in times of hardship and uncertainty.
Nonylcyclohexanol ethoxylates, a green alternative of nonylphenol ethoxylate, on the interfacial physiochemical properties aspects
Authors: Liu Jianyi , Ren Conglin , Xia Yongmei , Hu Xueyi , Fang Yun 
Published: July 2021

AbstractNonylphenol ethoxylates (NPEOn), typically NPEO10, are the second popular nonionic surfactants that have been banned or restricted from use and production by Europe since 1990 due to their poor degradability and high genetic toxicity. The hypothesis of this work is that the nonylcyclohexanol ethoxylates (NCEOn) may possess similar interfacial properties but lower biotoxicity and better biodegradability compared with NPEOn according to their structures. To verify this and to find the optimal alternative of NPEO10, the interfacial properties of NCEOn were compared with the typical commercial ethoxylates nonionic surfactants, such as nonylphenol ethoxylated‐10 (NPEO10), alcohol ethoxylated‐9 (AEO9), secondary alcohol ethoxylated‐9 (SAE9), and isomeric alcohol ethoxylated‐9 (TO9). It is the NCEO7 that shows excellent emulsifying ability similar to that of NPEO10. NCEO11 performed stronger detergency than other assayed commercial nonionic surfactants. Additionally, NCEOn possessed lower biological toxicity to aquatic organisms. Hence, NCEOn could be considered as a green substitute for NPEOn in the assayed application fields.