bluuebunny/crossref_metadata_2025_split huggingface dataset:
Statistical Optimization and Modeling Approach for Fenton‐like Discoloration of Methyl Orange using Green Zero‐valent Iron Nanoparticle Catalysts
Authors: Chowdhury Sujan , Al‐Mamun Abdullah , Zulfiqar Muhammad , Alam M. M. , Rahman Mohammed M. 
Published: February 2022

AbstractWastewater treatment is extremely beneficial to the environment by minimizing pollution. Water pollution caused by textile industries deteriorates ecosystems and threatens the environment. In this study, we fabricated nanoscale zerovalent iron nanoparticle (NZVI‐NPs) catalysts that act as Fenton‐like adsorbents, which remove methyl orange (MO) dye from wastewater much faster than microscale nanoparticles. The analysis of variance (ANOVA) led us to derive a quadratic model with R2=0.973. According to the central composite design in response surface methodology (CCD‐RSM) statistical optimization, 99.65 % of predicted decolorization was achieved with 1.0 g/L catalyst loading, pH initialization of 3.0, reaction temperature of 25 °C, and 22 mmol/L H2O2 concentration. By fitting a pseudo‐second‐order kinetic model, we calculated the rate constant of dye adsorption. The Langmuir isotherm demonstrated an excellent correlation between dye adsorption and catalyst with a maximum adsorption capacity (50.45 mg/g). The activation energy of the catalyst (62.26 kJ/mol) predicts a physical adsorption process. Newly developed catalysts are green efficient adsorbents suitable for significant dye removal from wastewater for the safety of aquatic life and human life. Moreover, these newly developed materials could be more suitable for the remediation of other harmful pollutants and the production of hydrogen, energy and water splitting applications.
Hybridization of Nanoclay with a Chromium‐Based Metal‐Organic Framework for Boosting Adsorption of Organic Dyes from Wastewater
Authors: Far Hossein Shahriyari , Hasanzadeh Mahdi , Najafi Mina , Rahimi Rahmatollah 
Published: February 2022

AbstractWe demonstrate enhanced dye adsorption capacity of nanoclay by decoration with chromium‐based MOF (MIL‐101) nanostructure. The Clay/Cr‐MOF composite exhibits a crystalline structure with high thermal stability. Moreover, it shows the superior specific surface area (4959 m2/g) and porosity which is beneficial for wastewater treatment. The developed Clay‐MOF composite exhibits superb adsorption capacity toward various organic dyes as compared with existing materials. The adsorption experiments revealed high adsorption capacity and selective dye removal efficiency of MOF‐modified nanoclay with reusability for multiple regeneration cycles. The adsorption kinetics was found to obey the pseudo‐second‐order kinetic model. These findings provide new insights into the application of such porous adsorbents for wastewater treatment applications.
Metal‐Free Boron‐Rich Borocarbonitride Catalysts for High‐Efficient Oxygen Reduction to Produce Hydrogen Peroxide†
Authors: Liu Zhiming , Gao Dazhi , Hu Lina , Liu Fang , Liu Hui , Li Ying , Zhang Jun , Xue Yanming , Tang Chengchun 
Published: February 2022

AbstractHydrogen peroxide (H2O2) is one of major chemical products in industrial production and daily life. The electrochemical method of two‐electron oxygen reduction reaction (ORR) to synthesize H2O2 is a promising method. Carbon‐based materials are considered to be ideal catalysts for H2O2 production by ORR because of its low price and good conductivity, but H2O2 selectivity of catalysts is still unsatisfactory due to the unreasonable electronic structure. Heteroatom doping is considered to be an effective method to adjust the electronic structure of electrocatalysts. Here, we report B, N co‐doped graphite named borocarbonitride (BCN) materials with different atomic content as significant ORR catalysts. The relationship between the electronic structure of BCN catalysts and H2O2 selectivity was discovered. Specially, the born‐rich BCN electrocatalyst with optimal doping amount of B and N not only exhibits excellent H2O2 selectivity of 71.7 % at the applied potential of 0.4 V in alkaline solution, but also shows good electrochemical stability. The excellent H2O2 selectivity of the BCN catalyst may be attributed to high content of B−C bonds and excellent ion mobility in electrolyte. This work not only provides a meaningful reference for designing the electronic structure of BCN catalysts to promote electrocatalytic H2O2 production, but also broadens the application of high efficient and stable metal‐free electrocatalysts in the field of two‐electron ORR.
Azolo[5,1‐c][1,2,4]triazines and Azoloazapurines: Synthesis, Antimicrobial activity and in silico Studies
Authors: Voinkov Egor K. , Drokin Roman A. , Fedotov Victor V. , Butorin Ilya I. , Savateev Konstantin V. , Lyapustin Daniil N. , Gazizov Denis A. , Gorbunov Evgeny B. , Slepukhin Pavel A. , Gerasimova Natalya A. , Evstigneeva Natalya P. , Zilberberg Natalya V. , Kungurov Nikolay V. , Ulomsky Evgeny N. , Rusinov Vladimir L. 
Published: February 2022

AbstractThe present work reports on the synthesis of series of azolo[5,1‐c][1,2,4]triazines and derivatives of azoloazapurines. The synthesized compounds were tested in vitro for antibacterial activity against N. gonorrhoeae and antimycotic activity against Trichophyton interdigitale, Epidermophyton floccosum, Microsporum canis and Candida albicans. It was found that 10 compounds of the series of 3‐nitroazolo[5,1‐c][1,2,4]triazine‐4‐amines 4 exhibit high antibacterial activity (MIC≤15 μg/ml), but do not exhibit antimycotic activity. For compounds active against N. gonorrhoeae, a biological target was predicted from the pharmacophore search method and homologous modeling was carried out for it. The results of molecular docking using the constructed model of dihydrofolate reductase have a good correlation with in vitro tests. Refined docking showed the similarity of the leading compounds positions in the protein active site. The formation of stable non‐covalent bonds of the nitro group with the amino acid residues Lys34/Lys55 makes a major contribution to the orienting effect of ligands.
Cu(II), Mn(II) and Zn(II) Complexes of Anthracene‐Affixed Carboxylate‐Rich Tridentate Ligand: Synthesis, Structure, Spectroscopic Investigation and Their DNA Binding Profile
Authors: Majumder Avishek , Haldar Shobhraj , Dutta Nityananda , Das Arpan , Bera Manindranath 
Published: February 2022

AbstractAnthracene‐affixed carboxylate‐rich tridentate ligand containing three new mononuclear complexes, [Cu(acpa)(H2O)2]⋅H2O (1), [Mn(acpa)(H2O)2] (2) and [Zn(acpa)(H2O)2] (3) (H2acpa=3‐(anthracene‐9‐ylmethyl‐carboxymethyl‐amino)‐propionic acid), have been synthesized and characterized by various analytical and spectral methods. In methanol, complexes 1–3 have been prepared by carrying out reaction of the ligand H2acpa with stoichiometric amounts of CuSO4 ⋅ 5H2O, MnSO4⋅H2O and ZnSO4 ⋅ 7H2O respectively, in the presence of NaOH at ambient temperature. The X‐ray crystal structure analysis reveals that complex 1 consists of a distorted square pyramidal copper center, coordinated to one acpa2− ligand in a tridentate manner (N,O,O) and two exogenous water molecules. On the other hand, the molecular structures of complexes 2 and 3, optimized by DFT method indicate that their core arrangements around the metal centers are similar to that of 1. In solution, the coordination phenomena of Cu((II), Mn(II) and Zn(II) ions with the ligand H2acpa and the structural features of the complexes have been authenticated by UV‐Vis and fluorescence titration experiments. The composition of the MII/acpa2− complexes (M=Cu, Mn, Zn) in 1–3 has been observed to be 1 : 1, based on the UV‐Vis/fluorescence titration results which are further supported by X‐ray crystallography and DFT calculation. Complexes 1–3 are investigated for their binding affinity towards Calf Thymus (CT) DNA in solution at pH∼7.5 by UV‐Vis and fluorescence spectroscopic methods. From the electronic absorption spectral studies, it has been found that the DNA binding constants of 1–3 are (5.67±0.32)×104 M−1, (2.35±0.26)×104 M−1 and (2.49±0.33)×104 M−1, respectively, following the order 1>3>2. Measurements of viscosity of DNA in the absence and presence of the metal complexes suggest that all three complexes interact with DNA through partial intercalative mode.
Sequencing innovation rollout: Learning opportunity versus entry speed
Authors: Klingebiel Ronald , Joseph John , Machoba Valerie 
Published: February 2022

AbstractResearch summaryOur article examines the deliberate creation of learning opportunities in the global rollout of innovations. Some firms launch in only a subset of markets at first, with later launches being conditional on debut‐market performance. Such sequencing decreases the downside of potential innovation failure but increases the downside of potential competitive preemption. Consistent with this trade‐off, handset makers during the feature‐phone era sequence rollout more often when innovations are novel. Also consistent is that sequencing seems to respond to firms' past experience with failure and preemption, and that it begins in markets offering strong signals of success and failure—markets with competing innovations and sophisticated consumers, respectively. Our findings contribute to the understanding of entry strategy and opens avenues for researching intentional organizational experimentation.Managerial summaryFirms can decide whether to launch innovations little by little or everywhere at once. Trial launches allow firms to test commercial viability and react to outcomes before rolling out elsewhere, but risks that competitors get their first. An immediate global launch, by contrast, reduces the scope for competitive preemption but increases the costs of potential failure. Our article uses data from the handset industry to highlight conditions that shape rollout decisions and examine the debut markets sought out for trial launches. Firms tend to trial novel innovations in particular, and their experience with prior misses as well as flops influences their preference. Trial launches often begin in markets with strong competition and discerning consumers, indicating an initial prioritization of learning over monetization. Opportunities for experimentation during market rollout thus ought to feature in strategic considerations of entry timing.
3D Bioprinting of Multifunctional Dynamic Nanocomposite Bioinks Incorporating Cu‐Doped Mesoporous Bioactive Glass Nanoparticles for Bone Tissue Engineering
Authors: Zhu Hui , Monavari Mahshid , Zheng Kai , Distler Thomas , Ouyang Liliang , Heid Susanne , Jin Zhaorui , He Jiankang , Li Dichen , Boccaccini Aldo R. 
Published: February 2022

AbstractBioprinting has seen significant progress in recent years for the fabrication of bionic tissues with high complexity. However, it remains challenging to develop cell‐laden bioinks exhibiting superior physiochemical properties and bio‐functionality. In this study, a multifunctional nanocomposite bioink is developed based on amine‐functionalized copper (Cu)‐doped mesoporous bioactive glass nanoparticles (ACuMBGNs) and a hydrogel formulation relying on dynamic covalent chemistry composed of alginate dialdehyde (oxidized alginate) and gelatin, with favorable rheological properties, improved shape fidelity, and structural stability for extrusion‐based bioprinting. The reversible dynamic microenvironment in combination with the impact of cell‐adhesive ligands introduced by aminated particles enables the rapid spreading (within 3 days) and high survival (>90%) of embedded human osteosarcoma cells and immortalized mouse bone marrow‐derived stroma cells. Osteogenic differentiation of primary mouse bone marrow stromal stem cells (BMSCs) and angiogenesis are promoted in the bioprinted alginate dialdehyde‐gelatin (ADA‐GEL or AG)‐ACuMBGN scaffolds without additional growth factors in vitro, which is likely due to ion stimulation from the incorporated nanoparticles and possibly due to cell mechanosensing in the dynamic matrix. In conclusion, it is envisioned that these nanocomposite bioinks can serve as promising platforms for bioprinting complex 3D matrix environments providing superior physiochemical and biological performance for bone tissue engineering.
Laboratory experiments and dual‐domain modeling of infiltration dynamics in partially saturated fractured porous media
Authors: Rüdiger Florian , Dentz Marco , Nimmo John , Kordilla Jannes 
Published: February 2022

AbstractMany studies have shown that fracture networks can provide rapid pathways for water infiltration and time‐dependent recharge in the vadose zone of consolidated fractured rock formations. To investigate the control of fracture networks and fracture–matrix interaction on preferential flow and infiltration dynamics, we constructed a simple network system consisting of m × 2 sandstone blocks placed in between two glass plates. Water was injected from a point source directly into the fracture system with a constant flow rate of 1.5 g min−1. We used a dual‐porosity non‐equilibrium model to model the discharge dynamics and the internal fracture–matrix mass exchange and observed strong deviations from the laboratory results when the original parameterization was used. This specifically concerns the matrix–fracture volume ratio κ and the fracture flow velocity v that require modifications in terms of their definition and underlying process description. Although the original model assumes a perfectly coupled fracture and matrix domain, in the experiments the discrete nature of the fracture network led to a much stronger dominance of the rapid flow domain and hence to a reduction of κ. The newly introduced parameter κ* includes additional effects and processes related to the time‐dependent evolution and smaller size of the fracture–matrix interface. Furthermore, experiments of varying total vertical system size reveal convergence toward a unique parameter set and the existence of a representative elementary volume (REV) for the chosen setup. Though it performs less well for very small systems below REV scale, the unique parameter set describes discharge dynamics in sufficiently large systems with high accuracy.
History and Development of Military Psychology
Authors: Mastroianni George R. 
Published: February 2022

AbstractPsychology is widely thought to have emerged as a scientific discipline only quite recently: at the end of the nineteenth century. Psychological thinking had nevertheless been occurring for millennia, and such thinking formed a significant element of Greek philosophy in the centuries before the Common Era. The Greeks, no strangers to war, applied this thinking to military matters, such as learning, motivation, and the roles of environment and heredity in human development. From these beginnings, the systematic study of the unique considerations that arise when humans come together in military undertakings began. The industrialization of warfare that began in the nineteenth century added new questions and problems, problems which became more urgent just as the novel application of the methods of science to human psychology became institutionalized in universities in the decades before World War I. Today, military psychology is a vibrant and dynamic field that focuses on a core set of stable and enduring areas of study that include leadership, personnel selection, training, human factors, human performance, and clinical psychology. As military technology and the nature of warfare continue to evolve within the context of national and social institutions that are themselves constantly in flux, military psychology will adapt to encompass the new questions and problems brought by these changes.
Horizons and correlation functions in 2D Schwarzschild-de Sitter spacetime
Authors: Anderson Paul R. , Traschen Jennie 
Published: February 2022

Abstract
Two-dimensional Schwarzschild-de Sitter is a convenient spacetime in which to study the effects of horizons on quantum fields since the spacetime contains two horizons, and the wave equation for a massless minimally coupled scalar field can be solved exactly. The two-point correlation function of a massless scalar is computed in the Unruh state. It is found that the field correlations grow linearly in terms of a particular time coordinate that is good in the future development of the past horizons, and that the rate of growth is equal to the sum of the black hole plus cosmological surface gravities. This time dependence results from additive contributions of each horizon component of the past Cauchy surface that is used to define the state. The state becomes the Bunch-Davies vacuum in the cosmological far field limit. The two point function for the field velocities is also analyzed and a peak is found when one point is between the black hole and cosmological horizons and one point is outside the future cosmological horizon.
The complementary value of intraoperative fluorescence imaging and Raman spectroscopy for cancer surgery: combining the incompatibles
Authors: Lauwerends L. J. , Abbasi H. , Bakker Schut T. C. , Van Driel P. B. A. A. , Hardillo J. A. U. , Santos I. P. , Barroso E. M. , Koljenović S. , Vahrmeijer A. L. , Baatenburg de Jong R. J. , Puppels G. J. , Keereweer S. 
Published: February 2022

AbstractA clear margin is an important prognostic factor for most solid tumours treated by surgery. Intraoperative fluorescence imaging using exogenous tumour-specific fluorescent agents has shown particular benefit in improving complete resection of tumour tissue. However, signal processing for fluorescence imaging is complex, and fluorescence signal intensity does not always perfectly correlate with tumour location. Raman spectroscopy has the capacity to accurately differentiate between malignant and healthy tissue based on their molecular composition. In Raman spectroscopy, specificity is uniquely high, but signal intensity is weak and Raman measurements are mainly performed in a point-wise manner on microscopic tissue volumes, making whole-field assessment temporally unfeasible. In this review, we describe the state-of-the-art of both optical techniques, paying special attention to the combined intraoperative application of fluorescence imaging and Raman spectroscopy in current clinical research. We demonstrate how these techniques are complementary and address the technical challenges that have traditionally led them to be considered mutually exclusive for clinical implementation. Finally, we present a novel strategy that exploits the optimal characteristics of both modalities to facilitate resection with clear surgical margins.
International Survey of Medical Students Exposure to Relevant Global Surgery (ISOMERS): A Cross‐Sectional Study
Authors:   InciSioN Collaborative
Published: February 2022

AbstractBackgroundThe principles of global surgery should be taught as a part of the core curriculum in medical schools. The need for medical students to be familiar with the topic is increasing in acceptance. There is, however, a paucity of data on how medical students are exposed to global surgery. This study aims to evaluate exposure of medical students to global surgery, awareness of the key messages of the Lancet Commission on Global Surgery, global surgery career aspirations and barriers to said aspirations.MethodsISOMERS was a multi‐centre, online, cross‐sectional survey of final year medical students globally. The questionnaire utilised a combination of Likert‐scale, multiple‐choice, and free text questions.ResultsIn this study, 1593 final year medical students from 144 medical schools in 20 countries participated. The majority (n = 869/1496, 58.1%) believed global surgery to be relevant, despite 17.7% (n = 271/1535) having any exposure to global surgery. Most participants (n = 1187/1476, 80.4%) wanted additional resources on global surgery. Difficulty in providing appropriate care for patients living abroad (n = 854/1242, 68.8%) was the most common perceived barrier to a career in global surgery.ConclusionsParticipants believed global surgery was a relevant topic for medical students and wanted additional resources that they could access on global surgery. It is critical for medical students to become aware that global surgery is a field that aims to address inequity in surgical care not just internationally, but nationally and locally as well.
Plant litter composition and stable isotope signatures vary during decomposition in blue carbon ecosystems
Authors: Kelleway J. J. , Trevathan-Tackett S. M. , Baldock J. , Critchley L. P. 
Published: February 2022

AbstractThe ratio of isotopes of carbon (13C:12C or δ13C) and nitrogen (15N:14N or δ15N) are common indicators of the flow and storage of organic matter in coastal wetland research. Effective use of these indicators requires quantification and understanding of: (1) the variability of isotope signatures of potential organic matter source materials; and (2) the influence of organic matter decomposition on isotopic signatures. While it is well-established that organic matter characteristics change during the decomposition process, there has been little direct quantification of any concurrent shifts in isotope signatures for coastal detritus. In this study, we addressed this by quantifying: (1) shifts in sample composition using solid-state 13C Nuclear Magnetic Resonance (NMR) spectroscopy; and (2) shifts in δ13C and δ15N signatures of coastal plant tissues from field litterbag experiments. We observed significant shifts in 13C NMR spectra across the course of deployment for all four plant tissues assessed (leaves of mangrove Avicennia marina; branchlets of supratidal tree Casuarina glauca; leaf wrack and roots/rhizomes of the seagrass Zostera muelleri), driven largely by the preferential loss of labile constituents and concentration of more resistant macromolecules, such as lignin and leaf waxes. While there were shifts in isotope ratios for all species, these varied in direction and magnitude among species, tissue type and isotopes. This included δ13C enrichments of up to 3.1‰ and 2.4‰ in leaves of A. marina, and branchlets of C. glauca, respectively, but δ13C depletions of up to 4.0‰ for Z. muelleri. Shifts in δ15N varied among species and tissue types, with few clear temporal patterns. Partial least squares regression analyses showed that some tissue isotope signatures can be reliably predicted on the basis of sample composition (13C NMR spectra), however, multiple inter- and intra-species variations preclude a simple explanation of isotopic signature shifts on the basis of plant-material molecular shifts alone. Further, we cannot preclude the potential influence of microbe-associated organic matter on sample composition or isotopic signatures. Our findings emphasise the importance of considering decomposition effects on stable isotope signatures in blue carbon ecosystems. Isotope approaches will remain a valuable tool in coastal ecosystem research, but require robust experimental approaches (including appropriate use of decomposed end-members or fractionation correction factors; quantification of microbial organic matter) and quantification of decomposition dynamics for specific plant tissues and environmental settings.